data_r7dhqsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2021-08-25 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      7dhq 
_cell.length_a      68.0740 
_cell.length_b      70.8760 
_cell.length_c      74.9750 
_cell.angle_alpha   65.9000 
_cell.angle_beta    63.3980 
_cell.angle_gamma   77.6800 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.95373 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.486 
_diffrn_reflns.pdbx_d_res_low    64.653 
_diffrn_reflns.limit_h_max       27 
_diffrn_reflns.limit_h_min       -24 
_diffrn_reflns.limit_k_max       28 
_diffrn_reflns.limit_k_min       -25 
_diffrn_reflns.limit_l_max       30 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            40221 
_diffrn_reflns.pdbx_number_obs   38716 
# 
_entry.id   7dhq 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               7dhq 
_symmetry.space_group_name_H-M   "P 1" 
_symmetry.Int_Tables_number      1 
# 
_symmetry_equiv.id           1 
_symmetry_equiv.pos_as_xyz   "X,  Y,  Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.F_meas_au 
_refln.F_meas_sigma_au 
_refln.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 -24 -2  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -24 -1  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -24 0   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -24 1   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -23 -8  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -23 -7  1  o 114.3463 44.71126 5.628466       4.570523  1.352774       4.625339  26.97856       70.97957 
1 1 1 -23 -6  1  o 87.65189 39.48469 -0.3478938     4.502337  0.5385286      4.542972  -4.414330      64.34210 
1 1 1 -23 -5  1  o 88.28515 39.30053 1.317795       4.435731  -0.4643517     4.248071  10.23470       64.01454 
1 1 1 -23 -5  2  o 147.1483 45.72050 3.570899       4.516885  10.05964       4.713133  -51.82095      74.41973 
1 1 1 -23 -4  1  o 209.9159 37.76838 14.45691       4.903903  9.729432       4.586424  43.25481       75.94399 
1 1 1 -23 -4  2  o 95.49210 41.08761 3.011161       4.530941  0.1764818      4.276424  16.57797       66.04823 
1 1 1 -23 -3  1  o 97.04980 41.22963 2.050248       4.346676  1.333569       4.309150  4.217407       66.10295 
1 1 1 -23 -3  2  o 83.84427 37.94492 -3.868462      4.167982  4.105452       4.302173  -39.81059      62.70583 
1 1 1 -23 -2  1  o 92.60380 40.19525 0.9417993E-01  4.339849  2.245399       4.228040  -10.73809      64.62666 
1 1 1 -23 -2  2  o 88.57972 39.26659 4.018085       4.328094  -2.494138      4.244945  33.57071       63.85513 
1 1 1 -23 -2  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -23 -1  1  o 104.6830 42.60009 3.599348       4.440058  1.915826       4.252949  10.85671       67.77455 
1 1 1 -23 -1  2  o 75.37746 35.35674 -2.459710      4.157320  -0.2273689     4.196946  -9.442558      58.67064 
1 1 1 -23 -1  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -23 0   1  o 90.47923 40.14112 2.025491       4.511346  -0.2872542     4.464903  11.33364       64.59045 
1 1 1 -23 0   2  o 107.5352 43.46645 2.299590       4.348706  4.110688       4.639134  -11.45399      68.79385 
1 1 1 -23 0   3  f 112.0521 46.33660 0.9527880      4.486758  9.799167       6.590161  -45.07816      75.62880 
1 1 1 -23 1   1  o 75.50694 35.66815 -1.425461      4.442798  -1.778505      4.332236  2.205704       59.05299 
1 1 1 -23 1   2  o 101.3013 42.65746 3.933759       4.627336  1.093372       4.506407  15.54037       67.46364 
1 1 1 -23 1   3  o 84.71226 39.48044 1.231917       6.431077  -1.189481      4.320117  18.73187       65.30181 
1 1 1 -23 2   1  o 265.4835 31.97213 12.17569       5.002576  25.86702       5.332099  -119.1184      70.78010 
1 1 1 -23 2   2  o 93.96550 40.86846 0.9444350      4.407553  2.446354       4.485533  -7.765900      64.84233 
1 1 1 -23 2   3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -23 3   1  o 105.1173 42.16332 2.572067       4.391623  3.555357       4.008307  -5.064293      66.46699 
1 1 1 -23 3   2  o 94.30858 40.54548 2.851911       4.596279  1.277812       4.014973  10.31127       64.32119 
1 1 1 -23 4   1  o 93.08894 40.05320 4.018983       4.451298  0.7322247E-01  3.951965  23.01281       64.03690 
1 1 1 -23 4   2  o 128.4751 45.65252 5.001813       4.648454  6.582057       4.493299  -11.01586      71.83647 
1 1 1 -23 5   1  f 101.7202 42.46012 4.927531       4.732837  1.454514       4.234863  19.31387       66.67996 
1 1 1 -23 5   2  o 96.16167 46.46739 0.000000       0.000000  0.6116620E-01  5.942974  ?              ?        
1 1 1 -23 6   1  o 74.21732 35.15712 -2.234115      4.464974  -0.8446709E-01 4.184948  -5.758553      57.16261 
1 1 1 -23 7   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -22 -10 1  f 257.3633 31.66612 17.95684       5.053713  15.56387       4.850478  19.70410       69.55111 
1 1 1 -22 -9  1  o 105.7462 42.95940 1.797771       4.484076  3.034826       4.336023  -6.911804      68.89890 
1 1 1 -22 -9  2  o 93.01974 40.43374 -1.035396      4.354735  2.981599       4.338712  -21.52896      65.51161 
1 1 1 -22 -8  1  o 116.4503 44.51672 1.596287       4.305317  5.900269       4.683312  -30.61774      71.49526 
1 1 1 -22 -8  2  f 176.1277 44.16728 9.847549       4.761389  8.068718       4.873041  17.01714       78.75922 
1 1 1 -22 -7  1  o 154.8247 45.00079 4.144030       4.455729  10.20333       4.712265  -51.72149      75.02047 
1 1 1 -22 -7  2  o 154.3815 45.01015 5.754676       4.481682  8.360919       4.672773  -21.89462      76.16180 
1 1 1 -22 -7  3  o 129.6805 45.74651 3.872589       4.514017  6.206182       4.650533  -17.07101      73.64816 
1 1 1 -22 -6  1  o 73.37152 34.91249 -2.997204      4.402425  -2.171309      4.305463  -2.220131      59.13763 
1 1 1 -22 -6  2  o 216.6588 37.13933 9.528202       4.702234  15.71821       4.929634  -58.88104      75.00194 
1 1 1 -22 -6  3  o 82.69276 37.79882 0.2529399E-01  4.344768  -1.012708      4.323049  4.889412       62.12057 
1 1 1 -22 -5  1  o 116.5220 44.37007 3.880036       4.515560  3.119289       4.371456  5.792870       71.35334 
1 1 1 -22 -5  2  o 166.1179 43.98796 9.776000       4.667891  6.403940       4.542084  29.86827       76.57920 
1 1 1 -22 -5  3  o 130.4725 45.14280 2.775737       4.369855  7.505292       4.530375  -35.99261      72.58846 
1 1 1 -22 -5  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -22 -4  1  o 136.1671 44.80877 4.195856       4.377029  6.396832       4.386945  -18.02614      73.46155 
1 1 1 -22 -4  2  o 103.9498 42.37129 -0.3753321     4.253236  5.316028       4.359555  -36.21509      67.79741 
1 1 1 -22 -4  3  o 162.5627 44.15062 8.977194       4.642204  6.701952       4.494080  19.54695       76.47089 
1 1 1 -22 -4  4  o 111.8986 43.75312 4.615107       4.558072  2.396813       4.262134  15.09216       69.69756 
1 1 1 -22 -3  1  o 80.36894 37.02600 -0.8619838     4.253393  -1.152465      4.288963  0.9939804      61.48701 
1 1 1 -22 -3  2  o 133.6464 44.93058 4.542691       4.395127  5.970753       4.406291  -11.27733      73.20075 
1 1 1 -22 -3  3  o 73.21871 34.63302 -0.8236486     4.125761  -3.120561      4.197554  8.504303       58.11081 
1 1 1 -22 -3  4  o 108.5247 42.97454 1.183167       4.232187  5.210221       4.360161  -26.26572      68.31437 
1 1 1 -22 -2  1  o 103.8865 42.49915 3.348282       4.261858  1.133455       4.445304  12.64417       68.10815 
1 1 1 -22 -2  2  o 96.43040 41.04790 3.015645       4.404671  0.8105720E-01  4.210810  17.93081       66.28832 
1 1 1 -22 -2  3  o 112.1947 43.72028 2.886000       4.338675  4.033333       4.430720  -7.707153      69.57517 
1 1 1 -22 -2  4  o 87.04501 39.00181 -3.002641      4.380189  3.722629       4.315053  -32.08071      63.48808 
1 1 1 -22 -1  1  o 126.0000 44.31876 7.882078       4.330631  1.332076       4.264070  50.45348       70.45461 
1 1 1 -22 -1  2  o 85.04090 38.50521 1.415137       4.338605  -1.834074      4.393458  14.88403       63.14772 
1 1 1 -22 -1  3  o 75.12784 35.25711 -3.538397      4.153924  0.6624627      4.170759  -17.52219      58.86759 
1 1 1 -22 -1  4  o 119.4313 43.94896 6.359086       4.393673  2.425850       4.177474  28.09517       70.02829 
1 1 1 -22 -1  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -22 0   1  o 111.3807 43.51540 1.548954       4.376187  4.842312       4.328321  -21.58777      69.37450 
1 1 1 -22 0   2  o 94.55411 41.10616 -0.6003153     4.474003  2.979394       4.513696  -18.89502      66.31945 
1 1 1 -22 0   3  o 104.0402 42.42433 4.413628       4.311793  1.004599       4.324612  20.44188       67.30298 
1 1 1 -22 0   4  o 174.7338 42.59222 8.445107       4.559341  9.841928       4.588842  -12.68837      76.86353 
1 1 1 -22 0   5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -22 1   1  o 159.7378 44.69130 9.981438       4.675714  5.401113       4.530562  39.29778       75.84760 
1 1 1 -22 1   2  o 114.7048 44.72429 -0.7104251     4.509108  8.344252       4.674898  -58.81770      70.39050 
1 1 1 -22 1   3  o 118.7475 44.70037 -0.4261215     4.369666  9.594825       4.594151  -67.92190      69.64317 
1 1 1 -22 1   4  o 96.44310 41.51770 1.878661       4.536996  1.829406       4.454250  0.6153412      65.90662 
1 1 1 -22 1   5  o 121.2641 55.52835 5.509103       6.652474  0.000000       0.000000  ?              ?        
1 1 1 -22 2   1  o 110.7920 43.33607 -1.521374      4.281116  8.247838       4.360818  -65.64915      67.81635 
1 1 1 -22 2   2  o 103.7904 42.38869 2.914115       4.388273  2.353241       4.253189  3.899696       67.42528 
1 1 1 -22 2   3  o 109.9938 43.61630 3.555582       4.423099  3.491763       4.436289  0.3628845      68.74723 
1 1 1 -22 2   4  o 71.57143 34.08648 -3.907098      4.147868  0.1443113      4.189482  -15.38992      56.97100 
1 1 1 -22 2   5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -22 3   1  o 262.2184 30.84910 18.93814       5.213164  16.49515       4.674750  13.16402       68.82693 
1 1 1 -22 3   2  o 80.84254 37.05892 2.626524       4.405561  -2.770223      4.030643  27.18110       61.30379 
1 1 1 -22 3   3  o 130.1944 44.42152 4.768667       4.461866  6.165246       4.159063  -11.17410      71.21996 
1 1 1 -22 3   4  o 97.68894 41.18617 7.228170       4.512870  -1.568007      4.052920  51.38056       65.94342 
1 1 1 -22 3   5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -22 4   1  o 72.31980 34.38211 1.693284       4.459712  -5.014159      3.986824  30.45676       58.93440 
1 1 1 -22 4   2  o 108.5588 42.75583 2.669133       4.453114  4.148518       4.037937  -8.493591      67.27895 
1 1 1 -22 4   3  o 112.9391 45.83922 3.728545       4.476167  4.678372       5.806890  -5.787773      71.70207 
1 1 1 -22 4   4  o 97.50353 40.86629 3.858500       4.324403  1.364051       4.012632  14.69543       64.39095 
1 1 1 -22 5   1  o 98.01962 41.54555 -1.447677      4.418345  5.664321       4.337132  -38.41023      65.82861 
1 1 1 -22 5   2  o 98.72225 42.14624 1.560531       4.671396  3.228734       4.458668  -7.675278      66.10473 
1 1 1 -22 5   3  o 105.7722 43.06472 6.154015       4.866786  1.431322       4.111003  27.59967       68.12013 
1 1 1 -22 5   4  o 122.9584 44.15791 2.592548       4.289592  8.007682       4.282666  -37.11566      69.00018 
1 1 1 -22 6   1  o 150.7604 45.61306 8.426990       4.873237  7.069477       4.417913  7.242432       75.52758 
1 1 1 -22 6   2  o 94.65321 40.58851 6.926289       4.566412  -1.595306      4.015710  47.58030       65.25695 
1 1 1 -22 6   3  o 79.46326 36.88340 2.190800       4.553897  -2.114372      4.182455  18.93955       59.86314 
1 1 1 -22 6   4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -22 7   1  o 98.97331 42.17066 -0.6115697     4.689717  5.582840       4.423488  -30.07089      65.78747 
1 1 1 -22 7   2  o 82.05496 37.55494 1.518021       4.470702  -0.5707012     4.140412  10.35558       60.17054 
1 1 1 -22 7   3  o 116.4050 44.16481 5.799570       4.656207  4.281418       4.166374  8.110924       68.55184 
1 1 1 -22 8   1  o 67.31079 32.71960 0.5778259E-01  4.551797  -5.089876      4.137392  18.73920       55.20926 
1 1 1 -22 8   2  o 104.4636 43.10402 0.5999969      4.636716  6.652432       4.421581  -31.07702      66.21563 
1 1 1 -22 8   3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -22 9   1  o 100.1463 41.96676 6.277916       4.545929  0.7554986      4.241270  28.41447       65.13920 
1 1 1 -22 9   2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -21 -13 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -21 -12 1  f 99.36577 41.56926 3.829608       4.225312  -0.5077214     4.361886  25.11240       66.87240 
1 1 1 -21 -11 1  o 85.33774 38.34517 -1.757879      4.128945  1.558959       4.349557  -18.71497      63.40253 
1 1 1 -21 -11 2  o 94.32971 40.60252 -1.684471      4.148908  4.367711       4.464359  -36.69331      66.27282 
1 1 1 -21 -10 1  o 96.27509 41.64944 0.9254384      4.405127  1.204616       4.748859  -3.856514      67.59396 
1 1 1 -21 -10 2  o 89.40436 39.57645 -4.663960      4.250379  5.768367       4.433051  -58.19802      65.38616 
1 1 1 -21 -10 3  o 144.5946 54.38010 10.71048       6.947675  3.543973       6.341004  38.15403       85.90179 
1 1 1 -21 -9  1  o 79.40886 36.86917 -1.000736      4.468624  -1.966140      4.255136  6.338974       61.85834 
1 1 1 -21 -9  2  o 126.9512 51.97373 4.350485       4.605285  0.000000       0.000000  ?              ?        
1 1 1 -21 -9  3  o 86.98868 38.95042 1.119890       4.524885  -0.8430726     4.154644  12.70516       64.01163 
1 1 1 -21 -8  1  o 128.9194 45.60224 5.666802       4.492750  3.307604       4.618583  17.47878       73.82510 
1 1 1 -21 -8  2  o 108.5967 45.25273 1.277844       4.414934  4.408628       6.096037  -24.44550      74.19471 
1 1 1 -21 -8  3  o 134.8188 44.81221 3.977385       4.424833  6.437032       4.335202  -19.84011      73.12862 
1 1 1 -21 -8  4  o 98.81406 41.83988 0.7516243E-01  4.430163  3.300571       4.433631  -18.25674      67.28892 
1 1 1 -21 -7  1  o 179.8782 42.12570 12.31688       4.605645  5.303129       4.629137  67.04100       74.18669 
1 1 1 -21 -7  2  o 128.1183 45.23847 4.500888       4.462121  4.489902       4.498901  0.3463745E-02  73.45014 
1 1 1 -21 -7  3  o 124.0233 44.67122 4.077980       4.275967  4.581162       4.513788  -4.170227      72.10864 
1 1 1 -21 -7  4  o 121.8232 44.44220 3.841313       4.282419  4.534101       4.449221  -5.371414      71.51651 
1 1 1 -21 -6  1  o 119.7843 44.30277 3.870861       4.364450  3.523922       4.355815  2.582809       71.62006 
1 1 1 -21 -6  2  o 111.6757 43.27670 5.905664       4.341189  0.1927117      4.215528  40.69624       69.32842 
1 1 1 -21 -6  3  o 82.61972 37.85313 -2.568350      4.223132  1.340586       4.555433  -20.87812      63.09351 
1 1 1 -21 -6  4  o 160.9391 44.48554 8.038874       4.547564  7.052409       4.632249  9.223709       76.73427 
1 1 1 -21 -6  5  o 83.12850 38.02798 -0.5374124E-01 4.326532  -0.9892972     4.473068  3.029152       62.44069 
1 1 1 -21 -5  1  o 191.1489 40.93183 14.58425       4.787095  5.253223       4.631011  88.54555       72.98373 
1 1 1 -21 -5  2  o 89.52610 39.55652 1.823649       4.293581  -1.218451      4.336681  15.65678       64.76775 
1 1 1 -21 -5  3  o 251.5715 32.72137 17.96461       4.995931  13.93575       4.975039  38.67810       71.20273 
1 1 1 -21 -5  4  o 215.6101 37.20821 7.087586       4.605605  18.69728       5.013789  -107.4071      71.58060 
1 1 1 -21 -5  5  o 94.87156 40.68130 -1.038203      4.093099  4.351500       4.504319  -32.85677      66.07550 
1 1 1 -21 -4  1  o 190.1150 39.15920 7.564370       4.437642  11.48975       4.491497  -39.83272      74.26053 
1 1 1 -21 -4  2  o 75.23952 35.35034 -2.480627      4.179595  -1.365775      4.231566  -5.239296      59.58187 
1 1 1 -21 -4  3  o 115.8399 43.63521 1.545175       4.275232  5.356277       4.261655  -27.40825      69.95945 
1 1 1 -21 -4  4  o 160.8442 45.05905 3.759236       4.515111  12.21704       4.851496  -71.55598      74.58533 
1 1 1 -21 -4  5  o 102.5362 41.93678 -0.3208941E-01 4.203753  4.804633       4.267070  -30.42826      67.03772 
1 1 1 -21 -4  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -21 -3  1  o 141.1603 44.10154 8.437119       4.338167  2.714513       4.233152  50.08364       72.09316 
1 1 1 -21 -3  2  o 230.9849 33.37777 13.64512       4.657872  13.37706       4.630255  2.369766       71.33423 
1 1 1 -21 -3  3  o 90.53777 39.77848 -0.1760709     4.325028  1.263874       4.287836  -7.345551      64.83570 
1 1 1 -21 -3  4  o 97.36944 41.08561 2.296063       4.351593  1.103533       4.153895  8.113792       66.13130 
1 1 1 -21 -3  5  o 104.2886 42.36606 3.890845       4.315713  1.246943       4.259091  16.64888       67.64764 
1 1 1 -21 -3  6  o 154.6786 44.10986 5.725063       4.434356  8.848383       4.443273  -27.24174      74.64021 
1 1 1 -21 -2  1  o 222.9139 34.26088 15.39061       4.681755  9.880468       4.496139  54.41989       71.04248 
1 1 1 -21 -2  2  o 207.5540 37.11920 12.55474       4.569839  9.976454       4.638227  27.38840       74.70913 
1 1 1 -21 -2  3  o 116.9157 43.88746 3.755708       4.303060  3.554296       4.316472  1.391685       70.51112 
1 1 1 -21 -2  4  o 169.0773 43.01098 5.270399       4.399640  11.53135       4.653217  -56.62514      74.64690 
1 1 1 -21 -2  5  o 128.4142 44.47136 3.283603       4.333195  6.618996       4.301044  -25.48460      71.48540 
1 1 1 -21 -2  6  f 156.0795 43.76498 5.889142       4.376482  9.022408       4.439085  -27.30695      74.50472 
1 1 1 -21 -1  1  o 211.1284 36.50158 12.46493       4.595880  10.47489       4.619450  20.89482       74.21647 
1 1 1 -21 -1  2  o 215.0728 35.61584 15.03731       4.651643  9.097092       4.522097  59.38754       72.32677 
1 1 1 -21 -1  3  o 95.52383 43.94764 -0.3592507     4.234369  0.000000       0.000000  ?              ?        
1 1 1 -21 -1  4  o 201.9693 38.04269 13.12355       4.638698  9.020133       4.545516  40.63719       75.02468 
1 1 1 -21 -1  5  o 79.97010 36.68782 -0.6042055E-01 4.297123  -0.9109455     3.985967  6.351921       60.31934 
1 1 1 -21 -1  6  o 141.3812 45.08192 6.768669       4.548743  5.925339       4.369154  6.051529       73.97488 
1 1 1 -21 0   1  o 140.6900 44.67290 8.810508       4.412876  2.440736       4.346953  53.91545       72.35942 
1 1 1 -21 0   2  o 92.53407 40.33249 -0.8519493     4.338302  2.496752       4.361541  -18.22518      65.58710 
1 1 1 -21 0   3  o 102.1384 41.88783 2.143119       4.203300  2.343415       4.276907  -1.617203      67.13137 
1 1 1 -21 0   4  o 153.8184 44.71574 7.767878       4.473232  6.336264       4.569209  12.80695       75.67093 
1 1 1 -21 0   5  o 91.11720 39.75817 0.5643532      4.259616  1.721176       4.214221  -5.758881      63.82671 
1 1 1 -21 0   6  o 253.7856 31.71010 20.54503       4.996319  13.52868       4.777871  63.88463       70.54294 
1 1 1 -21 1   1  o 87.24279 38.92891 0.1914547      4.198401  -0.1495190     4.373912  0.2613907      63.91063 
1 1 1 -21 1   2  f 111.4771 43.41552 5.598192       4.477032  0.9984491      4.180363  32.34985       69.62917 
1 1 1 -21 1   3  o 192.1503 39.24919 16.00906       4.754272  5.401058       4.317277  98.94583       70.80721 
1 1 1 -21 1   4  o 117.5865 44.62329 6.967633       4.584550  1.162461       4.388266  39.61892       70.88251 
1 1 1 -21 1   5  o 92.85271 40.36180 0.4553879      4.187842  2.481146       4.490802  -12.03571      64.68166 
1 1 1 -21 1   6  o 93.57817 40.56871 -1.090426      4.228704  4.600411       4.486629  -30.84679      65.10340 
1 1 1 -21 2   1  o 147.0312 43.79906 5.694337       4.219857  6.733903       4.369443  -8.947372      73.93616 
1 1 1 -21 2   2  f 92.59788 39.80372 -2.208523      4.143107  4.472173       4.097283  -38.20466      64.32672 
1 1 1 -21 2   3  o 140.1367 46.01212 2.813250       4.649446  9.260311       4.594058  -49.61972      73.58420 
1 1 1 -21 2   4  o 144.1911 45.36760 4.234790       4.502944  8.711311       4.549813  -35.90159      74.12641 
1 1 1 -21 2   5  o 82.81588 37.74376 -0.7244710     4.176703  0.8252193      4.392086  -8.323624      61.27786 
1 1 1 -21 2   6  o 86.21815 38.68453 0.3865104      4.312027  0.9271466      4.274096  -2.279343      62.05558 
1 1 1 -21 3   1  o 153.9658 43.17155 8.001782       4.448326  5.827405       4.145244  18.77945       74.20492 
1 1 1 -21 3   2  o 80.09420 36.75965 -1.078660      4.231400  -0.1929287     4.082051  -2.795158      60.49653 
1 1 1 -21 3   3  o 84.22530 37.84376 1.123064       4.273665  -0.6638339     3.989836  10.89289       61.76860 
1 1 1 -21 3   4  o 86.66132 38.44299 2.207981       4.258489  -0.7155581     3.985303  16.69503       62.36379 
1 1 1 -21 3   5  f 92.57621 40.39777 -0.2742469     4.366404  3.325295       4.383316  -18.02515      64.33073 
1 1 1 -21 3   6  o 130.1429 45.69922 8.009862       4.600609  3.661779       4.535067  29.78192       72.20405 
1 1 1 -21 4   1  o 152.8183 43.53534 6.145158       4.526381  7.518771       4.150229  -13.98169      74.11076 
1 1 1 -21 4   2  o 179.6412 40.69465 8.846688       4.578090  9.641718       4.294179  -10.86610      75.66096 
1 1 1 -21 4   3  o 68.53890 32.90157 -2.472301      4.304191  -2.698109      3.840216  5.218735       55.68899 
1 1 1 -21 4   4  o 160.4699 42.58100 6.900074       4.433812  8.818609       4.192725  -19.54219      73.94878 
1 1 1 -21 4   5  o 178.0969 41.43833 8.696006       4.693331  10.47511       4.313808  -21.53711      75.79572 
1 1 1 -21 4   6  o 120.8122 44.15738 6.296395       4.604509  3.955702       4.066811  14.67439       69.78599 
1 1 1 -21 5   1  o 86.98667 38.84867 4.030244       4.554383  -2.378781      4.042555  35.63097       64.07302 
1 1 1 -21 5   2  o 118.0491 43.86039 2.711417       4.408041  5.552943       4.166859  -19.43237      69.47977 
1 1 1 -21 5   3  o 124.7871 45.19033 5.616033       4.855777  4.420372       4.212817  7.822891       72.15209 
1 1 1 -21 5   4  o 62.98304 30.83375 -2.839158      4.232575  -4.298360      3.878903  7.713554       52.61741 
1 1 1 -21 5   5  f 73.87695 34.71334 1.184107       4.293571  -2.785689      3.855277  19.03217       57.54817 
1 1 1 -21 5   6  o 272.9511 31.22286 19.48231       5.198723  21.09675       5.184417  -15.75299      72.68241 
1 1 1 -21 6   1  o 83.03550 37.81353 -0.1726235     4.564930  0.6383683E-01  4.051423  2.479485       61.48440 
1 1 1 -21 6   2  o 177.6085 41.98232 10.19770       4.792954  8.767187       4.343766  8.372284       76.96892 
1 1 1 -21 6   3  o 80.03915 36.96153 -2.602142      4.477306  1.541348       4.128808  -14.80809      60.06176 
1 1 1 -21 6   4  o 108.3647 43.43050 5.511478       4.633302  2.275398       4.266451  18.86685       67.93566 
1 1 1 -21 6   5  o 83.87969 38.04729 2.004090       4.571558  -0.3781971     4.047316  12.82440       60.96975 
1 1 1 -21 6   6  o 129.1171 48.29124 6.355968       7.019419  6.834266       4.325880  -11.05587      73.83093 
1 1 1 -21 7   1  f 84.69482 38.26856 3.483396       4.424978  -2.466683      4.158769  29.49298       62.52793 
1 1 1 -21 7   2  o 76.37080 35.63205 1.639104       4.317923  -3.010565      3.998981  21.68724       59.06585 
1 1 1 -21 7   3  o 120.7051 44.80479 0.3200821      4.602205  9.294296       4.342670  -57.98509      68.60456 
1 1 1 -21 7   4  o 83.26068 37.89439 1.379582       4.535514  -0.7647525E-01 4.090593  8.372238       60.58162 
1 1 1 -21 7   5  f 76.32886 35.88268 0.7374819      4.576365  -1.569070      4.143425  10.69570       58.03652 
1 1 1 -21 8   1  o 92.20446 40.04206 3.869045       4.311541  -0.5471144     4.200011  23.23618       63.82981 
1 1 1 -21 8   2  o 107.4913 43.08735 7.925334       4.741103  0.6115014      4.073339  43.51128       68.13010 
1 1 1 -21 8   3  o 84.19852 37.95786 -0.1931448     4.251486  1.910789       4.128459  -8.716972      60.24461 
1 1 1 -21 8   4  o 93.73317 40.83382 3.475218       4.535952  1.216252       4.375843  10.81464       63.61113 
1 1 1 -21 8   5  o 95.35252 40.81194 2.203728       4.394923  3.306046       4.205124  -5.040100      62.97362 
1 1 1 -21 9   1  o 85.94067 38.52851 -2.389646      4.308072  4.339756       4.191984  -30.09286      61.46736 
1 1 1 -21 9   2  o 114.8783 43.58593 3.553873       4.412487  5.670845       4.152542  -13.61336      67.60950 
1 1 1 -21 9   3  o 145.4228 45.06999 5.098376       4.492177  10.19236       4.477413  -38.28642      72.44345 
1 1 1 -21 9   4  o 72.13402 34.36320 -1.727173      4.505228  -0.4322239     4.020139  -1.494621      55.45240 
1 1 1 -21 10  1  o 223.3379 37.38842 16.91119       5.205319  13.28544       4.811669  25.28925       79.63950 
1 1 1 -21 10  2  o 88.97907 39.31554 1.544071       4.398808  2.105868       4.138572  -1.750366      61.30817 
1 1 1 -21 10  3  o 136.7409 45.03242 5.917013       4.443098  8.487249       4.408140  -18.08643      71.05341 
1 1 1 -21 11  1  o 105.5229 43.34650 8.173770       4.750880  0.7529572      4.371783  37.80466       66.89411 
1 1 1 -21 11  2  f 88.77245 39.53701 0.5876628      4.507382  3.482036       4.293995  -11.56887      61.00967 
1 1 1 -21 12  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -20 -14 1  o 92.36670 40.91436 1.297606       4.462473  -0.5409499     4.850831  6.191116       66.58956 
1 1 1 -20 -13 1  o 108.3559 43.32413 1.725175       4.316936  3.562048       4.501008  -12.85948      69.75984 
1 1 1 -20 -13 2  o 71.38142 34.22014 -6.012384      4.316332  0.6320034E-01  4.386325  -23.54182      58.97461 
1 1 1 -20 -12 1  o 146.4098 45.19693 8.177584       4.489528  3.967627       4.541436  35.79037       74.64384 
1 1 1 -20 -12 2  o 112.6938 43.89176 0.7121726      4.348205  5.583820       4.488304  -33.67404      70.38290 
1 1 1 -20 -12 3  o 121.7015 45.66235 3.705753       4.636605  4.367780       4.692330  -4.652374      73.25420 
1 1 1 -20 -11 1  o 110.0885 43.32759 2.541842       4.267559  2.778199       4.419440  -2.471649      70.02729 
1 1 1 -20 -11 2  o 121.6934 44.94971 1.603121       4.216194  7.021736       4.814780  -41.00103      72.67749 
1 1 1 -20 -11 3  o 88.42725 38.91925 -2.289143      3.905263  3.819847       4.420235  -38.38849      64.66617 
1 1 1 -20 -11 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -20 -10 1  o 126.8482 44.82885 5.326835       4.394620  3.240105       4.406172  16.13447       72.79817 
1 1 1 -20 -10 2  o 223.3384 34.99563 9.693049       4.545167  15.96139       4.847889  -60.14211      72.03644 
1 1 1 -20 -10 3  o 102.4702 42.36864 4.877743       4.536703  -0.5593499     4.246478  35.29483       68.51487 
1 1 1 -20 -10 4  o 93.50243 40.51533 1.384726       4.210526  0.4752799      4.473479  3.074799       65.70152 
1 1 1 -20 -9  1  o 90.25381 39.75457 0.7047195      4.503314  -0.2114903     4.168871  7.880371       65.50424 
1 1 1 -20 -9  2  o 92.25164 40.22228 0.3276834      4.442171  0.7607508      4.224237  -0.5786057     65.82285 
1 1 1 -20 -9  3  o 201.1264 39.00618 13.84285       4.931122  8.144523       4.482619  52.81615       75.52394 
1 1 1 -20 -9  4  o 348.1143 25.93794 27.13779       5.493098  30.98739       5.631171  -25.16315      55.23173 
1 1 1 -20 -9  5  o 115.0624 44.05023 1.884776       4.409078  5.034923       4.377450  -21.43731      70.43387 
1 1 1 -20 -8  1  o 87.64741 38.94009 -0.7571883     4.234545  0.5120135      4.242356  -6.881302      64.40343 
1 1 1 -20 -8  2  f 233.8890 33.09843 13.30320       4.778172  13.95593       4.565317  -9.300751      70.66782 
1 1 1 -20 -8  3  o 76.64999 35.80980 -2.640588      4.273890  -0.9941248     4.155500  -6.012070      60.35394 
1 1 1 -20 -8  4  o 184.8889 40.77292 9.628723       4.659247  9.104838       4.448790  3.404541       76.62180 
1 1 1 -20 -8  5  o 121.1591 44.42671 5.325528       4.531610  2.948306       4.222415  18.04018       71.60542 
1 1 1 -20 -7  1  o 77.79944 37.74439 -6.570798      5.573880  -3.585459      5.808588  -11.14723      65.31542 
1 1 1 -20 -7  2  o 84.84738 38.37329 -0.6470461     4.184340  -0.5326605     4.472083  -3.286003      63.74007 
1 1 1 -20 -7  3  o 71.51606 34.11395 -2.218577      4.056216  -3.523629      4.381351  1.626915       58.24033 
1 1 1 -20 -7  4  o 244.0492 34.05536 15.21757       4.968604  15.02290       5.063529  3.276627       73.47303 
1 1 1 -20 -7  5  o 182.8328 40.99210 8.651196       4.635726  9.730181       4.438756  -12.36736      76.39763 
1 1 1 -20 -7  6  o 89.46699 39.47374 3.999381       4.436313  -2.427975      4.143225  36.28833       64.84624 
1 1 1 -20 -6  1  f 122.2713 49.99973 7.458508       6.089881  -1.238699      5.950190  47.46606       80.33096 
1 1 1 -20 -6  2  o 121.4765 44.42709 8.058312       4.358640  -0.6529676     4.370427  65.71308       69.77025 
1 1 1 -20 -6  3  o 74.44722 35.07990 2.356382       4.200787  -6.642447      4.189028  39.58074       60.50881 
1 1 1 -20 -6  4  o 115.0807 43.84156 4.083469       4.329153  2.468530       4.346575  11.34407       70.62726 
1 1 1 -20 -6  5  o 157.3247 44.55162 5.608696       4.452584  8.945921       4.641359  -28.82803      75.91726 
1 1 1 -20 -6  6  o 78.56239 36.42410 -2.461035      4.072340  0.4184096      4.408281  -15.70103      60.84640 
1 1 1 -20 -5  1  o 432.6830 30.92344 47.97360       8.420474  41.70519       8.080442  31.66962       65.60188 
1 1 1 -20 -5  2  o 268.4790 40.96997 20.66921       6.697150  16.84727       6.521308  30.84230       86.87225 
1 1 1 -20 -5  3  o 114.2053 43.65066 6.272551       4.382121  0.2224509      4.239781  44.03626       69.89963 
1 1 1 -20 -5  4  f 91.63129 40.01024 0.6000832      4.206374  0.6359680      4.393858  -1.679749      65.30981 
1 1 1 -20 -5  5  o 74.51878 35.18877 -1.977046      4.235887  -2.185630      4.289227  0.3267441      59.23046 
1 1 1 -20 -5  6  o 94.39709 40.76231 0.6072391      4.204827  1.829591       4.531414  -8.768364      65.96099 
1 1 1 -20 -5  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -20 -4  1  o 127.6491 50.30256 -0.8493818E-01 5.705612  7.874975       6.024108  -48.17831      80.87415 
1 1 1 -20 -4  2  o 172.0733 51.98228 7.071997       6.066622  10.07196       5.964786  -22.45276      86.95708 
1 1 1 -20 -4  3  o 128.3389 45.06379 4.808445       4.622542  4.120120       4.279861  6.174980       73.44895 
1 1 1 -20 -4  4  f 87.20568 38.68890 0.6036397      4.193786  -0.2574557     4.144872  4.970078       63.45892 
1 1 1 -20 -4  5  o 148.2530 44.32010 2.907039       4.446997  9.551623       4.334002  -57.83221      72.19015 
1 1 1 -20 -4  6  o 162.5209 43.29074 9.243771       4.459420  6.122602       4.425420  28.62044       75.16635 
1 1 1 -20 -4  7  o 108.4025 43.17698 0.1810866      4.318980  5.972773       4.401182  -37.22858      68.58593 
1 1 1 -20 -3  1  o 117.6679 44.28903 5.003718       4.363455  1.279995       4.428043  27.02568       71.59419 
1 1 1 -20 -3  2  f 228.8724 46.66899 17.11690       6.600577  11.67226       6.218354  43.07368       89.58836 
1 1 1 -20 -3  3  o 124.1688 49.73861 4.130034       5.882622  3.382199       5.756251  4.544769       79.47402 
1 1 1 -20 -3  4  o 172.1014 41.89476 8.499184       4.447216  7.905779       4.412846  5.592651       75.78938 
1 1 1 -20 -3  5  o 106.9548 42.70980 5.597014       4.350227  -0.2292755     4.206479  39.39973       68.44997 
1 1 1 -20 -3  6  o 94.12176 40.36019 -0.5709031     4.240910  3.211653       4.192883  -20.94724      65.01216 
1 1 1 -20 -3  7  o 106.0503 44.90509 -5.082595      6.046127  6.694742       4.500171  -47.91744      69.52154 
1 1 1 -20 -2  1  o 300.4454 31.73482 22.43489       5.035961  20.41504       7.159608  40.42773       74.96640 
1 1 1 -20 -2  2  o 208.1129 49.19327 12.38162       6.227362  11.80492       6.272316  5.077148       90.00216 
1 1 1 -20 -2  3  o 166.5402 52.93564 9.932903       6.151682  6.878974       6.144561  21.17398       87.07861 
1 1 1 -20 -2  4  o 169.0889 42.45147 3.956138       4.300408  12.59309       4.606539  -79.96989      72.06924 
1 1 1 -20 -2  5  o 91.94917 39.76267 -1.654189      4.166234  3.488039       4.153157  -29.15206      64.62379 
1 1 1 -20 -2  6  o 119.2643 44.16224 5.751450       4.340642  2.398021       4.328927  23.83590       70.48823 
1 1 1 -20 -2  7  f 125.2065 50.54895 0.000000       0.000000  4.882281       4.285178  ?              ?        
1 1 1 -20 -2  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -20 -1  1  o 228.7578 39.61651 13.32024       4.692237  13.45422       6.636045  16.21571       82.32059 
1 1 1 -20 -1  2  o 191.8071 50.77439 12.44943       6.188391  8.647850       6.083011  29.71933       88.59808 
1 1 1 -20 -1  3  o 168.9955 52.04073 8.196270       5.912309  9.049915       6.072146  -5.736374      86.65151 
1 1 1 -20 -1  4  o 110.7966 43.28054 3.051847       4.196552  2.889054       4.421587  0.9012604E-01  69.54810 
1 1 1 -20 -1  5  o 66.26951 32.09799 -5.838441      4.007202  -0.9814397     4.135471  -18.92927      55.72728 
1 1 1 -20 -1  6  o 102.9676 42.03662 1.694222       4.223114  3.164576       4.268687  -9.286942      67.17311 
1 1 1 -20 -1  7  o 99.24331 43.17800 2.139466       6.263832  1.497207       4.240631  11.64973       69.93118 
1 1 1 -20 -1  8  o 82.13386 38.19468 1.814104       3.988153  -6.608335      6.035549  15.06395       61.94551 
1 1 1 -20 0   1  o 182.7470 46.30877 5.832123       4.601556  15.28879       6.300631  -75.14932      82.53248 
1 1 1 -20 0   2  o 107.0766 46.48300 2.078339       5.682364  0.3551345      5.776889  7.545845       75.37498 
1 1 1 -20 0   3  o 115.9606 47.94605 4.326873       5.589088  1.410380       5.640512  15.04416       76.65615 
1 1 1 -20 0   4  o 123.8077 44.37646 3.341110       4.369310  5.149234       4.284617  -13.44894      71.59151 
1 1 1 -20 0   5  o 112.3257 43.18472 1.955558       4.205900  4.732190       4.263484  -19.36366      69.05975 
1 1 1 -20 0   6  f 71.07140 33.90232 -2.307341      4.169077  -2.475394      4.146290  0.8558655      57.15102 
1 1 1 -20 0   7  f 126.3854 47.11290 6.284704       5.969748  4.455539       4.319266  10.65425       75.48383 
1 1 1 -20 0   8  o 76.01662 35.42410 -0.7195232     4.033758  -1.145939      4.130412  1.022514       58.23609 
1 1 1 -20 1   1  o 325.3707 26.91139 22.18807       5.375805  27.86981       5.390433  -42.19266      57.53407 
1 1 1 -20 1   2  f 99.12881 44.99529 -0.9228259     6.011320  0.1684673      6.001426  -4.264931      73.76829 
1 1 1 -20 1   3  o 154.6740 53.99039 10.74636       6.416586  4.357136       6.322916  39.10600       86.17377 
1 1 1 -20 1   4  f 114.1604 44.10622 -0.8289050     4.349916  7.925551       4.520078  -60.36259      69.66138 
1 1 1 -20 1   5  o 87.42088 39.01622 -1.074047      4.270466  1.773902       4.340314  -14.63773      63.58041 
1 1 1 -20 1   6  o 86.80447 39.04873 -1.012654      4.332804  1.536836       4.482689  -13.05864      63.57884 
1 1 1 -20 1   7  o 89.58989 39.64179 4.969765       4.410921  -2.913069      4.289017  40.38012       64.33729 
1 1 1 -20 1   8  o 100.0220 41.82914 1.364275       4.304520  3.666338       4.383598  -13.01823      66.07265 
1 1 1 -20 2   1  o 188.5988 40.01193 10.10090       4.611398  8.579739       4.463980  14.49687       75.90142 
1 1 1 -20 2   2  o 186.5519 53.33512 7.646987       6.270076  13.88722       6.715977  -43.22482      90.21567 
1 1 1 -20 2   3  o 194.1472 53.77760 10.50199       6.563782  13.29602       6.842836  -18.05960      92.23327 
1 1 1 -20 2   4  o 228.9224 34.71879 17.70169       4.805226  9.728048       4.746829  78.46959       72.06374 
1 1 1 -20 2   5  o 104.0036 42.75341 0.4355708      4.385843  4.675034       4.475585  -25.52125      68.16341 
1 1 1 -20 2   6  o 68.17349 33.00927 -2.320359      4.457994  -4.091550      4.148885  8.801468       56.22816 
1 1 1 -20 2   7  o 122.3339 45.50673 4.090379       4.630295  5.531704       4.594887  -9.384300      71.83379 
1 1 1 -20 2   8  o 138.4875 44.50412 10.19042       4.475284  2.924966       4.209741  56.07762       71.21966 
1 1 1 -20 3   1  o 429.2931 31.79666 45.49860       8.637313  44.65070       8.194775  -0.7953186     68.65533 
1 1 1 -20 3   2  o 159.1948 54.21741 9.125377       6.372486  6.810052       6.445798  14.58800       87.38774 
1 1 1 -20 3   3  o 369.2827 35.50510 29.18917       7.529934  43.29655       8.652986  -76.49213      80.51167 
1 1 1 -20 3   4  o 85.78397 38.06541 2.660777       4.250618  -1.478188      3.853937  25.01219       62.56179 
1 1 1 -20 3   5  o 106.5193 42.35178 5.082193       4.421635  1.203100       3.986538  26.71462       67.77998 
1 1 1 -20 3   6  o 217.3255 37.71969 12.81579       5.001772  13.47699       4.805558  -9.998779      78.18586 
1 1 1 -20 3   7  o 77.00255 36.09641 -1.535870      4.295787  -0.5076886     4.389711  -4.657730      59.17057 
1 1 1 -20 3   8  o 70.18346 33.56727 -2.665998      4.164346  -1.233677      4.102914  -4.585251      55.65070 
1 1 1 -20 4   1  o 116.2889 48.22326 -0.5995889     5.829370  6.037920       5.584139  -33.18510      76.86118 
1 1 1 -20 4   2  f 272.8264 43.21635 25.39195       7.351830  16.33538       6.819151  66.43175       91.11353 
1 1 1 -20 4   3  o 93.94115 40.34723 2.033064       4.403736  0.5833808      4.069228  10.30336       65.27425 
1 1 1 -20 4   4  o 100.5834 41.25546 7.307724       4.556733  -1.109352      3.778285  57.49659       67.05944 
1 1 1 -20 4   5  o 92.97998 39.75996 3.079609       4.337234  0.2653021      3.849173  18.69053       64.14919 
1 1 1 -20 4   6  o 185.6662 40.39719 10.06201       4.730655  10.23730       4.335333  -7.114441      76.52855 
1 1 1 -20 4   7  o 100.5113 41.78933 -0.3605852     4.344440  5.625386       4.253771  -33.36294      65.67354 
1 1 1 -20 4   8  o 85.87288 38.52803 -0.8490242     4.300712  2.687074       4.216124  -15.56939      61.33678 
1 1 1 -20 5   1  o 91.48386 42.68041 -1.997499      6.034584  -0.9162645     5.871855  -2.661003      70.24047 
1 1 1 -20 5   2  o 89.78004 39.49119 -1.381000      4.306486  2.540549       4.206485  -19.93011      64.19225 
1 1 1 -20 5   3  o 122.7182 45.08067 3.033228       4.851675  5.551132       4.217888  -16.47209      71.63681 
1 1 1 -20 5   4  o 126.4233 43.61689 6.649759       4.403083  3.554123       3.938072  23.51943       70.55550 
1 1 1 -20 5   5  f 182.4895 40.54307 8.037758       4.644703  11.12211       4.314183  -33.78850      75.08993 
1 1 1 -20 5   6  o 84.88427 38.05095 0.2985232      4.373230  1.041527       3.945661  -1.037704      60.93764 
1 1 1 -20 5   7  o 72.54710 34.16916 -0.1884240     4.230170  -1.847023      3.755756  10.09269       56.37422 
1 1 1 -20 5   8  o 132.0498 44.49674 5.155469       4.462282  7.077955       4.183272  -15.24871      70.66451 
1 1 1 -20 6   1  o 82.67426 37.66708 -0.9931841     4.381500  -0.8429355E-02 4.145494  -2.627487      61.98536 
1 1 1 -20 6   2  o 139.0472 44.56950 9.378872       4.649611  3.098183       4.103687  50.58917       72.81597 
1 1 1 -20 6   3  o 104.1590 42.14280 1.995937       4.430786  3.423619       4.040889  -7.338150      66.81652 
1 1 1 -20 6   4  o 94.64450 40.31870 1.694194       4.352328  1.917438       3.988422  0.5039520      64.18423 
1 1 1 -20 6   5  o 131.8563 45.46423 7.087980       4.732668  4.639436       4.316082  16.49078       72.90642 
1 1 1 -20 6   6  o 74.15773 34.94768 -1.578089      4.449368  -0.6215044     3.929974  0.2890778E-01  57.09490 
1 1 1 -20 6   7  f 149.3275 45.27361 10.14901       4.808180  5.843081       4.341338  29.38994       74.51524 
1 1 1 -20 6   8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -20 7   1  o 111.8185 43.42815 4.749385       4.532137  2.275043       4.125037  17.54726       69.42846 
1 1 1 -20 7   2  o 90.62131 39.60898 0.6678143      4.401166  1.482554       4.060381  -2.180176      63.58945 
1 1 1 -20 7   3  o 101.2903 41.59624 8.821161       4.482724  -2.155483      3.944747  70.65681       66.36721 
1 1 1 -20 7   4  o 81.13094 37.16681 3.744671       4.622302  -2.909036      3.908616  34.76394       61.99667 
1 1 1 -20 7   5  o 102.3284 41.93078 1.110922       4.467421  4.648897       4.050792  -19.11828      65.38876 
1 1 1 -20 7   6  o 70.01902 33.45533 -0.8275198     4.395660  -2.309429      3.830371  9.307541       55.37984 
1 1 1 -20 7   7  o 69.44613 33.43910 1.410745       4.537819  -4.520247      4.028220  22.74548       56.02790 
1 1 1 -20 8   1  o 154.4699 43.39808 6.926904       4.568907  7.643527       4.124038  -9.238571      74.13753 
1 1 1 -20 8   2  o 85.83916 38.38790 1.527517       4.372406  -0.7962701E-01 4.028314  9.729843       61.86781 
1 1 1 -20 8   3  o 128.6260 44.46261 6.590706       4.427019  4.392904       4.210158  15.64396       71.17892 
1 1 1 -20 8   4  o 76.69328 35.82785 -0.9397448     4.331615  -0.5477028     4.110377  -0.2714539E-01 58.36228 
1 1 1 -20 8   5  o 75.54266 35.51845 -0.2977391     4.495754  -1.016006      4.055902  5.301697       57.57559 
1 1 1 -20 8   6  o 75.14909 35.22544 -4.001991      4.263397  2.592742       4.015569  -23.70011      57.28771 
1 1 1 -20 8   7  o 88.78896 39.52189 0.1785699      4.604018  3.293256       4.198116  -12.09386      61.35556 
1 1 1 -20 9   1  o 104.9565 42.42823 0.8462005      4.264029  5.448291       4.287192  -27.60696      66.74517 
1 1 1 -20 9   2  o 101.9145 41.94873 8.431976       4.592986  -1.412499      4.010141  60.55946       66.99589 
1 1 1 -20 9   3  o 84.15733 37.95011 1.042275       4.380162  0.2678227      4.023239  5.477715       60.82802 
1 1 1 -20 9   4  o 106.1951 42.61749 5.237442       4.461144  2.532705       4.118997  15.55021       66.28066 
1 1 1 -20 9   5  o 105.3479 42.10977 2.769524       4.280964  4.684739       4.051278  -11.11198      65.09487 
1 1 1 -20 9   6  o 77.85766 36.19331 1.057212       4.571664  -0.4464957     3.938014  8.536919       57.75656 
1 1 1 -20 10  1  o 83.64179 37.70877 -2.779456      4.131763  3.855193       4.137083  -31.30386      61.07472 
1 1 1 -20 10  2  o 103.8837 42.91378 7.774406       4.912024  0.3137782E-01  4.164657  43.55946       68.18293 
1 1 1 -20 10  3  o 119.6236 44.76707 6.455256       4.758193  4.389916       4.240546  11.14931       69.58215 
1 1 1 -20 10  4  o 84.34142 37.97977 5.422096       4.496094  -2.064418      3.922497  35.82948       61.37587 
1 1 1 -20 10  5  o 105.4195 46.43130 0.000000       0.000000  4.527832       4.172422  ?              ?        
1 1 1 -20 10  6  o 112.5041 48.25674 0.000000       0.000000  6.158950       4.264825  ?              ?        
1 1 1 -20 11  1  o 85.29344 38.25954 0.2907192      4.310416  1.805667       4.090391  -5.782036      60.49681 
1 1 1 -20 11  2  o 76.99294 35.93639 -1.377591      4.280579  1.023374       4.175674  -8.442673      57.55120 
1 1 1 -20 11  3  o 88.34668 41.75143 0.7957612      4.258463  0.000000       0.000000  ?              ?        
1 1 1 -20 11  4  o 85.45254 38.56508 -0.3631730E-01 4.506483  2.894876       4.185829  -10.89838      59.98286 
1 1 1 -20 11  5  o 67.45990 32.58594 0.9263777      4.383471  -3.575393      3.905213  16.58270       53.57693 
1 1 1 -20 12  1  o 69.85982 33.62275 -4.846745      4.354346  1.265703       4.239148  -18.63275      55.34245 
1 1 1 -20 12  2  o 91.20641 40.22696 3.981967       4.589764  0.7998747      4.310441  14.33323       62.38945 
1 1 1 -20 12  3  o 91.03880 39.81296 2.961313       4.443034  2.193510       4.114140  3.865967       61.16473 
1 1 1 -20 12  4  o 103.5776 45.04733 1.369366       4.604399  12.34702       6.838231  -33.89328      69.77102 
1 1 1 -20 13  1  o 57.43430 28.77130 -3.039580      4.575750  -7.466732      4.187076  12.23537       49.27003 
1 1 1 -20 13  2  o 80.75334 37.22896 2.249443       4.513051  0.4752940E-01  4.165229  9.097427       58.12097 
1 1 1 -20 13  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 -16 1  o 78.41167 38.21276 -5.716829      6.192648  -4.498589      5.842125  -0.5342865     64.96149 
1 1 1 -19 -15 1  o 87.78021 39.55626 -0.1701307     4.542927  -0.2982407     4.543971  0.6030197      65.05228 
1 1 1 -19 -15 2  o 117.8642 54.48555 0.9812155      6.620694  0.000000       0.000000  ?              ?        
1 1 1 -19 -14 1  o 117.1762 44.78611 2.411546       4.480601  4.578757       4.594097  -15.26169      72.02731 
1 1 1 -19 -14 2  o 77.33148 36.44159 -0.4730180     4.487796  -3.903010      4.569999  12.93099       61.48071 
1 1 1 -19 -14 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 -13 1  o 169.4941 44.13566 9.814525       4.671483  5.930592       4.699496  36.10686       76.99828 
1 1 1 -19 -13 2  o 118.8854 45.18055 5.454103       4.569879  1.758033       4.630420  24.99898       72.37730 
1 1 1 -19 -13 3  o 150.7909 46.14369 8.644301       4.706873  4.507328       4.731492  34.37390       76.42605 
1 1 1 -19 -12 1  o 109.2679 42.87228 4.058604       4.282019  1.200236       4.198084  20.40778       69.27445 
1 1 1 -19 -12 2  o 170.8404 41.33995 7.397390       4.239258  8.298230       4.433622  -8.089478      74.93075 
1 1 1 -19 -12 3  o 107.8322 43.31958 -0.2454842     4.324080  5.565500       4.537387  -38.86910      69.66705 
1 1 1 -19 -12 4  o 166.2009 44.08812 6.056590       4.497861  9.846806       4.751548  -33.51163      76.76646 
1 1 1 -19 -11 1  o 105.1190 43.37991 4.687226       4.648970  -0.8384082     4.522071  35.03101       70.32430 
1 1 1 -19 -11 2  o 89.87642 39.59992 2.373749       4.269421  -1.991899      4.322604  23.24153       65.14657 
1 1 1 -19 -11 3  o 122.4015 44.07220 3.886614       4.307128  3.953183       4.239049  -0.2841339     71.54639 
1 1 1 -19 -11 4  o 230.9801 34.13597 11.49039       4.589942  15.88929       4.914501  -40.22301      72.17538 
1 1 1 -19 -11 5  o 76.71038 35.88414 -3.334778      4.197478  0.7599989E-01  4.311739  -15.75401      60.41431 
1 1 1 -19 -10 1  o 209.2141 48.88750 10.88566       6.154053  13.24718       6.308419  -18.84489      89.66134 
1 1 1 -19 -10 2  o 86.23434 38.27813 0.2870811      4.005694  -0.5069994     4.172228  2.734421       63.26319 
1 1 1 -19 -10 3  o 144.0675 44.08911 7.879772       4.270689  3.443028       4.346625  39.28127       72.88287 
1 1 1 -19 -10 4  o 160.3311 43.69410 7.773589       4.389044  6.612016       4.541673  11.32782       75.81406 
1 1 1 -19 -10 5  o 117.0914 44.49339 2.328371       4.308153  4.916238       4.630614  -19.13429      71.66415 
1 1 1 -19 -9  1  o 106.1434 46.64471 -3.228745      5.917703  4.318142       5.930514  -35.11947      76.56857 
1 1 1 -19 -9  2  o 110.9937 45.14523 6.882285       6.205915  0.2775503      4.145553  51.24753       76.50882 
1 1 1 -19 -9  3  o 94.17181 40.70880 1.055639       4.447863  0.4862773      4.271090  4.637718       66.54949 
1 1 1 -19 -9  4  o 110.9002 48.08039 0.000000       0.000000  1.668123       4.322756  ?              ?        
1 1 1 -19 -9  5  o 90.09538 39.52005 0.8582233      4.242457  0.1722852      4.227509  3.828476       64.52724 
1 1 1 -19 -9  6  o 80.14882 37.84432 0.4563688      6.334551  -3.310791      4.172788  30.43583       66.19151 
1 1 1 -19 -8  1  o 206.0759 37.91146 5.957933       4.564668  15.68346       4.778281  -95.20726      71.13484 
1 1 1 -19 -8  2  f 81.36163 39.14825 -3.204418      5.769127  -5.864072      5.861178  7.538887       67.16328 
1 1 1 -19 -8  3  o 222.5023 35.95136 14.04519       4.984166  11.15028       4.622233  25.54848       74.27177 
1 1 1 -19 -8  4  o 153.4348 44.46005 5.433537       4.461247  7.699305       4.489828  -20.33424      75.53461 
1 1 1 -19 -8  5  o 92.55045 40.08618 0.9613032E-02  4.355012  1.499166       4.135680  -6.624397      65.28136 
1 1 1 -19 -8  6  o 87.10329 39.29521 -2.372026      4.279237  2.448195       4.754509  -27.14217      65.31226 
1 1 1 -19 -8  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 -7  1  o 191.8886 51.92323 10.27492       5.944186  9.968334       6.801015  4.582886       90.61870 
1 1 1 -19 -7  2  o 93.87122 43.24774 -0.4579658     5.767640  -2.833199      5.889573  8.376038       72.24452 
1 1 1 -19 -7  3  o 167.6958 52.84111 10.91948       6.134640  5.439377       6.141522  38.97858       86.84004 
1 1 1 -19 -7  4  o 109.6412 45.43941 -0.3655117     4.356497  7.697031       6.268400  -55.16596      76.51292 
1 1 1 -19 -7  5  o 182.0238 41.65502 7.900531       4.710798  9.908642       4.499266  -21.12334      76.70325 
1 1 1 -19 -7  6  o 135.3814 44.62540 3.012467       4.303750  7.611145       4.388535  -37.66968      72.51581 
1 1 1 -19 -7  7  o 116.6143 43.59814 -0.8148662     4.115209  8.772817       4.386141  -71.27476      68.34911 
1 1 1 -19 -6  1  o 191.5836 51.51733 14.44909       6.294595  5.886874       6.215134  67.03224       87.35770 
1 1 1 -19 -6  2  f 120.3715 49.55275 1.830964       5.522008  3.601323       6.528004  -15.10352      80.73540 
1 1 1 -19 -6  3  o 149.7539 53.08487 8.088203       6.234456  4.546237       6.115944  22.84068       85.78815 
1 1 1 -19 -6  4  f 113.2261 48.55748 -1.102852      5.926673  5.428903       6.299782  -32.62389      78.58895 
1 1 1 -19 -6  5  f 131.3316 45.17131 6.106249       4.321394  3.256718       4.593367  21.77521       73.23840 
1 1 1 -19 -6  6  o 179.9797 41.82755 8.701307       4.426044  9.233780       4.752868  -2.725876      77.09064 
1 1 1 -19 -6  7  o 86.08059 39.44831 -2.060765      4.148084  2.073129       5.761063  -29.38419      67.05820 
1 1 1 -19 -6  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 -5  1  o 122.5313 50.30474 3.019301       6.081964  2.339746       6.164767  3.142441       81.45317 
1 1 1 -19 -5  2  o 344.4974 34.60542 29.47185       7.391328  28.13018       7.202499  7.559570       74.89408 
1 1 1 -19 -5  3  o 297.3833 27.81736 21.17037       4.981516  20.60005       5.167609  6.484039       59.17401 
1 1 1 -19 -5  4  o 144.0245 51.88163 5.953429       5.892069  5.775411       5.952080  1.042816       83.63090 
1 1 1 -19 -5  5  o 107.3519 46.85526 -1.489581      5.949812  4.286431       5.827837  -25.22660      75.50367 
1 1 1 -19 -5  6  o 79.90179 36.65938 -0.6763939     3.958347  -1.305430      4.320354  -0.5141830     61.06720 
1 1 1 -19 -5  7  o 67.66066 32.67955 -3.594858      4.037536  -3.028944      4.261074  -4.350616      56.01421 
1 1 1 -19 -5  8  o 67.12914 32.83220 -5.511921      3.781245  -1.569944      6.137893  -32.34753      60.17700 
1 1 1 -19 -4  1  o 81.63966 37.17187 0.6420213      4.181850  -2.908329      4.097359  19.38541       62.82867 
1 1 1 -19 -4  2  o 353.0439 34.34506 27.19099       7.172741  33.79217       7.709532  -40.12836      74.39049 
1 1 1 -19 -4  3  o 179.7097 53.51129 20.92168       6.811243  -0.6872006E-01 6.069829  148.7808       80.28220 
1 1 1 -19 -4  4  o 313.3059 38.41706 25.49856       7.261859  24.44655       7.359699  9.743469       84.92765 
1 1 1 -19 -4  5  o 215.8326 50.44630 9.699569       6.388596  18.13078       6.905771  -62.02673      91.10363 
1 1 1 -19 -4  6  o 175.0609 42.13212 9.336785       4.474771  7.536824       4.566118  18.08316       76.28519 
1 1 1 -19 -4  7  f 88.79659 40.54444 -1.936284      6.030909  0.4570528      4.322503  2.267952       66.62192 
1 1 1 -19 -4  8  o 95.27555 43.63986 -0.1645389E-01 4.112624  0.000000       0.000000  ?              ?        
1 1 1 -19 -3  1  o 194.6209 37.97263 9.633883       4.379180  9.138303       4.461324  5.662735       73.66642 
1 1 1 -19 -3  2  o 203.1756 51.17118 7.476314       6.220174  16.03869       6.695600  -66.09035      89.43896 
1 1 1 -19 -3  3  o 177.9314 53.38750 3.831932       6.038179  15.50979       6.740379  -84.29707      87.24844 
1 1 1 -19 -3  4  o 111.4891 48.05373 1.616821       4.268092  0.000000       0.000000  ?              ?        
1 1 1 -19 -3  5  f 138.3916 50.86122 7.328256       5.865580  3.809402       5.605626  22.38026       81.53970 
1 1 1 -19 -3  6  o 94.06577 42.99144 0.6211389      5.755121  -1.320868      5.463877  9.528610       70.36434 
1 1 1 -19 -3  7  o 135.2761 51.90761 0.000000       0.000000  5.655239       4.320157  ?              ?        
1 1 1 -19 -3  8  o 116.6514 45.89235 2.403400       4.096120  6.989323       6.355007  -30.58546      75.65383 
1 1 1 -19 -3  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 -2  1  o 197.2306 36.75245 10.12498       4.362992  9.017104       4.299957  11.51039       72.21056 
1 1 1 -19 -2  2  o 136.0909 52.16463 10.50683       6.370483  -0.6623013     5.979697  68.10665       83.10168 
1 1 1 -19 -2  3  o 159.9058 53.67267 8.103621       6.412766  6.474101       6.155055  11.10126       87.88060 
1 1 1 -19 -2  4  o 231.0755 39.52884 14.20725       4.700217  12.84319       6.779160  32.19855       82.33405 
1 1 1 -19 -2  5  o 91.71254 42.12681 -1.229689      5.498751  -0.6466438     5.445628  -1.928993      69.49984 
1 1 1 -19 -2  6  o 127.3143 50.49924 5.507447       5.985199  3.606524       5.895207  10.30188       79.89754 
1 1 1 -19 -2  7  o 77.63634 36.81390 -4.181587      5.941711  -1.502867      4.081625  6.482140       62.37284 
1 1 1 -19 -2  8  o 84.19572 37.71810 2.589499       4.125451  -2.132218      4.004700  25.10048       61.88067 
1 1 1 -19 -2  9  f 99.12882 41.29155 0.1332659E-01  4.145237  4.447855       4.273477  -26.83340      65.93910 
1 1 1 -19 -1  1  f 80.67289 36.64457 -1.518033      3.937237  -0.6673271     4.050541  -5.866096      61.83058 
1 1 1 -19 -1  2  o 82.99345 38.55294 0.7376434      5.677602  -3.383295      4.198925  32.28628       67.30849 
1 1 1 -19 -1  3  o 247.4294 45.47206 17.89025       6.768291  14.62991       6.677026  26.88411       91.01436 
1 1 1 -19 -1  4  o 223.2534 49.17942 9.811749       6.472936  18.41995       6.791589  -67.36998      90.27341 
1 1 1 -19 -1  5  f 180.3011 50.46806 12.04603       5.901238  7.299316       5.832163  36.57465       85.91862 
1 1 1 -19 -1  6  o 132.6869 51.34827 -0.2025505     5.715001  12.02694       6.367700  -69.64599      81.19019 
1 1 1 -19 -1  7  o 109.1522 43.21506 3.329421       4.444149  2.509428       4.246979  6.186760       69.25369 
1 1 1 -19 -1  8  o 210.0634 50.22961 14.03385       4.565527  0.000000       0.000000  ?              ?        
1 1 1 -19 -1  9  o 98.29069 40.75748 2.874615       4.142463  1.516833       4.007686  8.797577       64.98491 
1 1 1 -19 0   1  o 181.6118 39.64204 10.32286       4.331219  6.267336       4.349504  42.12950       73.04189 
1 1 1 -19 0   2  o 92.42139 41.18282 0.2435524      5.656483  -0.4932226     4.210696  16.23610       69.22939 
1 1 1 -19 0   3  f 106.3944 46.79828 1.624041       6.083572  -0.1142725     5.873649  9.172707       76.36530 
1 1 1 -19 0   4  o 108.6418 47.17329 5.115150       5.835824  -2.643140      5.973073  35.36172       76.42637 
1 1 1 -19 0   5  o 244.7159 43.55617 16.90985       6.165133  15.66821       6.595731  16.38113       88.95134 
1 1 1 -19 0   6  o 240.5812 43.93279 24.01617       6.728676  10.18626       5.969137  106.3200       84.73637 
1 1 1 -19 0   7  o 87.37720 38.81247 2.230974       4.191288  -1.572365      4.226215  19.34686       63.35089 
1 1 1 -19 0   8  o 86.92132 38.39175 0.9108502      4.016033  0.4319031      4.107683  1.861504       62.06129 
1 1 1 -19 0   9  o 81.40630 36.97705 0.1782811      4.047468  -0.3052354     4.083244  2.008072       60.19973 
1 1 1 -19 1   1  o 82.55286 37.09932 -2.536048      3.988660  1.059921       3.943451  -19.38583      62.23028 
1 1 1 -19 1   2  o 135.2922 51.91272 5.695664       6.275430  3.693429       5.958376  12.71930       83.48958 
1 1 1 -19 1   3  o 184.4306 50.55630 7.870913       6.069671  11.39786       5.847153  -28.71794      86.99603 
1 1 1 -19 1   4  o 89.80588 41.92400 -2.648928      5.781076  -1.276838      5.733484  -4.633942      69.89130 
1 1 1 -19 1   5  o 121.5288 49.72375 -0.1653824     5.637099  8.374688       6.337597  -46.60477      79.78041 
1 1 1 -19 1   6  o 174.8271 53.01543 7.757427       6.119714  12.32352       6.385148  -30.02435      87.71278 
1 1 1 -19 1   7  o 112.8938 43.82329 3.315615       4.526810  3.491441       4.267416  -0.3576889     69.93938 
1 1 1 -19 1   8  o 183.2389 40.46196 7.905755       4.426922  11.55459       4.526983  -34.61530      75.38499 
1 1 1 -19 1   9  o 81.77438 37.13403 0.8793881E-01  4.002530  -0.5885587E-01 4.197110  -0.7001266     60.31702 
1 1 1 -19 2   1  o 315.8971 25.35341 27.44450       5.171463  19.61353       4.713358  55.33328       53.23817 
1 1 1 -19 2   2  o 162.8260 52.02128 9.776537       6.183569  5.849661       5.707812  27.93355       86.03062 
1 1 1 -19 2   3  o 87.72429 40.96826 -3.001061      5.907200  -1.327604      5.177451  -0.1552200     68.60531 
1 1 1 -19 2   4  o 310.2739 32.69597 31.52540       5.746731  13.10997       6.776813  159.2337       76.37245 
1 1 1 -19 2   5  o 101.1509 45.74451 -5.140061      5.737147  7.683054       6.640857  -56.72400      76.43116 
1 1 1 -19 2   6  o 92.95660 42.96313 0.8252907      6.002396  -1.740061      5.648819  11.18976       70.00672 
1 1 1 -19 2   7  o 230.6437 35.89189 11.83508       4.950701  16.61179       4.985840  -46.82387      75.77296 
1 1 1 -19 2   8  o 130.2444 45.31984 2.864766       4.532060  7.902401       4.441027  -36.60101      71.89558 
1 1 1 -19 2   9  o 153.3336 47.49419 7.111216       4.356586  9.417538       5.984356  -6.589233      78.91728 
1 1 1 -19 2   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 3   1  o 110.9595 47.60817 0.3941819      6.034114  2.413406       5.725149  -7.853218      77.28760 
1 1 1 -19 3   2  o 283.0540 39.97118 14.63389       6.866883  26.63128       6.780337  -100.1558      84.76642 
1 1 1 -19 3   3  o 154.2934 53.48557 10.29282       6.517808  4.327844       6.004106  38.28130       86.43137 
1 1 1 -19 3   4  o 100.0376 41.66462 1.861873       4.285372  1.499309       4.281536  2.246254       67.41432 
1 1 1 -19 3   5  o 270.6168 43.60881 19.21941       6.859415  21.77357       7.305275  -13.83228      93.16571 
1 1 1 -19 3   6  o 104.2364 45.97815 0.4969237      5.874544  2.983375       5.740173  -9.718933      73.03330 
1 1 1 -19 3   7  o 71.33614 34.05805 -1.447905      4.253184  -3.242965      4.177784  7.373848       57.32994 
1 1 1 -19 3   8  o 127.9240 44.45412 2.154891       4.411726  8.125339       4.225113  -44.15179      69.99641 
1 1 1 -19 3   9  o 91.35143 41.17897 2.462009       4.349050  -1.617036      5.825282  9.057014       65.25600 
1 1 1 -19 3   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 4   1  o 338.3403 34.89061 30.24848       7.430792  26.73739       7.022373  20.43295       76.68089 
1 1 1 -19 4   2  o 100.2385 45.14484 2.321420       6.439641  -1.677556      5.490149  22.62417       74.58058 
1 1 1 -19 4   3  f 143.6327 47.67249 3.467600       4.456331  9.772018       5.675034  -48.22637      79.07228 
1 1 1 -19 4   4  o 103.1448 45.63671 4.134346       6.122065  -1.389833      5.459744  27.55486       74.31306 
1 1 1 -19 4   5  o 215.3992 49.46753 13.14394       6.584278  15.01861       6.361719  -17.28958      91.35088 
1 1 1 -19 4   6  o 88.53732 41.45276 -2.472362      5.943286  0.2981577      5.478467  -6.504723      67.34811 
1 1 1 -19 4   7  o 98.16826 40.73494 4.016310       4.264077  0.5677142      3.905241  22.59615       65.28484 
1 1 1 -19 4   8  o 213.8772 41.22165 6.511717       6.536946  17.10072       4.536467  -107.4028      72.80929 
1 1 1 -19 4   9  o 91.83202 42.69851 0.4848298      4.156028  0.000000       0.000000  ?              ?        
1 1 1 -19 4   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 5   1  o 167.7264 52.31721 7.845987       6.219920  8.950149       5.860769  -8.642746      86.73956 
1 1 1 -19 5   2  o 126.9028 50.12756 2.179223       5.978439  5.886688       5.692339  -19.70201      79.77242 
1 1 1 -19 5   3  o 100.9158 45.63401 -2.692844      6.522804  2.391971       5.764104  -15.05411      73.96539 
1 1 1 -19 5   4  o 107.5618 46.78096 -4.287892      5.670959  8.922855       5.992887  -62.35255      75.65102 
1 1 1 -19 5   5  o 108.7958 46.63874 1.694793       5.806333  3.407218       5.464368  -6.579720      73.67078 
1 1 1 -19 5   6  o 115.3906 43.20643 3.565469       4.369819  4.289281       3.998007  -4.568306      68.70641 
1 1 1 -19 5   7  o 234.9339 32.71483 11.46853       4.522814  18.15604       4.763597  -63.22768      70.89971 
1 1 1 -19 5   8  o 115.1871 47.64835 0.000000       0.000000  4.601375       3.923479  ?              ?        
1 1 1 -19 5   9  o 82.88299 38.49249 3.988127       4.299949  -6.336372      5.393990  30.61143       61.63438 
1 1 1 -19 6   1  o 106.4348 44.61795 1.028451       4.341922  3.762179       5.949537  -23.57928      73.47749 
1 1 1 -19 6   2  o 170.9151 53.23804 11.31152       6.722629  7.374624       5.862978  24.35071       88.43783 
1 1 1 -19 6   3  o 144.8973 53.73927 6.103637       6.701996  7.308911       6.176785  -6.797195      84.85587 
1 1 1 -19 6   4  o 301.0200 41.96561 28.35456       8.011190  22.94001       7.287078  28.49768       94.46233 
1 1 1 -19 6   5  o 273.0198 29.88834 20.78505       5.239192  17.56183       4.754540  20.29829       66.86494 
1 1 1 -19 6   6  o 82.61340 37.52924 0.5823312      4.371303  -0.3234806     4.027577  6.430138       60.90941 
1 1 1 -19 6   7  o 159.3074 43.65650 9.052421       4.673004  7.182894       4.241223  12.55872       75.30306 
1 1 1 -19 6   8  o 95.17578 43.82139 0.000000       0.000000  1.435075       4.221500  ?              ?        
1 1 1 -19 6   9  o 98.87582 45.36780 2.441810       4.470903  0.000000       0.000000  ?              ?        
1 1 1 -19 7   1  o 93.46055 43.02915 -6.098557      5.747169  4.438148       5.762887  -41.09806      71.56200 
1 1 1 -19 7   2  o 113.2045 48.68821 -1.522291      6.403191  6.066578       5.962184  -31.46455      77.19018 
1 1 1 -19 7   3  o 151.5473 53.39181 12.26008       6.523300  4.028934       5.987627  47.72621       84.65757 
1 1 1 -19 7   4  o 111.7516 43.18073 1.009171       4.433404  5.613602       4.085586  -29.55731      68.06942 
1 1 1 -19 7   5  o 92.78213 39.84678 0.5980278      4.484961  2.379186       3.834734  -6.226089      63.39975 
1 1 1 -19 7   6  o 81.64689 37.24514 1.657168       4.544857  -1.171089      3.891302  16.89381       60.93140 
1 1 1 -19 7   7  o 67.40899 32.64251 -3.766412      4.389001  -1.742680      4.038799  -3.663292      54.47808 
1 1 1 -19 7   8  o 95.82324 42.37269 -4.176793      6.720590  4.690344       4.112396  -23.21931      65.03365 
1 1 1 -19 7   9  o 98.22422 41.47943 4.627115       4.569646  1.748240       4.136230  14.95457       64.37343 
1 1 1 -19 8   1  o 111.8990 48.01314 8.230693       6.094092  -2.734183      5.861354  51.44753       76.87989 
1 1 1 -19 8   2  o 91.35741 40.98898 -2.871063      6.026625  1.961741       4.131540  -7.841919      66.25435 
1 1 1 -19 8   3  o 126.0927 45.08143 3.690238       4.648892  5.926752       4.295830  -15.90752      71.86428 
1 1 1 -19 8   4  o 71.38099 33.95903 -1.093559      4.279658  -2.620850      3.967551  8.413284       56.75179 
1 1 1 -19 8   5  o 134.0175 44.56800 5.773912       4.563577  6.104957       4.131758  -4.099846      71.87730 
1 1 1 -19 8   6  o 121.8470 44.82793 5.792332       4.664113  4.351800       4.270026  8.894440       70.68916 
1 1 1 -19 8   7  o 207.9113 37.50895 12.82196       4.879394  12.98838       4.467136  -10.74271      77.28988 
1 1 1 -19 8   8  o 82.44361 37.65096 2.818601       4.604263  -0.8989890     4.028065  17.74098       60.25039 
1 1 1 -19 8   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -19 9   1  o 131.2628 45.36924 8.996892       4.697062  2.125234       4.312011  51.48771       72.57185 
1 1 1 -19 9   2  o 103.1964 41.92804 2.156457       4.385630  3.093553       4.035388  -4.400574      66.57891 
1 1 1 -19 9   3  o 94.75269 39.99994 1.297122       4.161292  2.496574       3.911702  -5.699806      63.54971 
1 1 1 -19 9   4  o 108.2676 42.21884 0.9770932      4.197964  5.925673       3.990466  -31.70372      66.01797 
1 1 1 -19 9   5  o 104.9242 42.49623 2.673949       4.507300  3.770648       4.116348  -5.639275      66.50448 
1 1 1 -19 9   6  o 141.6004 45.29234 12.10960       4.868631  3.498313       4.196348  59.58929       72.74449 
1 1 1 -19 9   7  o 60.12572 29.79768 -2.241961      4.367715  -6.144233      4.024503  12.80316       50.95716 
1 1 1 -19 9   8  o 87.81900 39.35624 -0.9663387     4.516444  4.386759       4.346363  -21.69335      61.30156 
1 1 1 -19 10  1  o 72.68391 34.45774 0.4717450      4.403348  -3.597926      3.959445  19.53249       58.04652 
1 1 1 -19 10  2  o 113.4178 43.27425 2.088404       4.255002  5.865728       4.206257  -24.92165      68.07513 
1 1 1 -19 10  3  o 69.80000 33.50804 -2.706052      4.462897  -1.740536      3.985431  0.4646378      55.66619 
1 1 1 -19 10  4  o 118.7497 44.83659 6.738682       4.920751  3.425988       4.191746  19.72852       70.64928 
1 1 1 -19 10  5  o 108.4401 42.88530 1.982890       4.479400  5.594486       4.090622  -21.15462      66.31670 
1 1 1 -19 10  6  o 113.9391 43.31741 5.614394       4.502289  4.177872       4.000615  7.552368       67.09793 
1 1 1 -19 10  7  o 70.38439 33.57129 -2.235450      4.241135  -0.1400543     3.926528  -5.160141      54.35713 
1 1 1 -19 10  8  o 70.16111 33.59889 1.218520       4.369039  -2.926634      3.995036  15.31443       54.60763 
1 1 1 -19 11  1  o 77.09785 35.85814 -0.5955133E-01 4.179948  -1.090819      4.120484  4.617889       58.38586 
1 1 1 -19 11  2  o 88.38254 39.11457 2.283587       4.465239  0.4645782      4.038155  10.57301       62.26397 
1 1 1 -19 11  3  o 94.62881 40.35820 0.1293971      4.333931  4.005044       4.032455  -19.32327      63.30958 
1 1 1 -19 11  4  o 60.07059 29.70861 -5.195498      4.156698  -3.296227      4.011250  -3.869759      50.46733 
1 1 1 -19 11  5  o 80.73795 37.00415 2.926753       4.398211  -1.130958      4.009858  18.04889       58.97001 
1 1 1 -19 11  6  o 61.18937 30.15373 -4.215089      4.145838  -2.729318      4.009839  -2.970985      50.37936 
1 1 1 -19 11  7  o 122.2252 44.76116 6.483453       4.494767  6.064734       4.373101  1.782272       68.23302 
1 1 1 -19 12  1  o 70.85344 33.82402 0.5068750      4.423277  -3.503525      3.930172  18.01250       56.53324 
1 1 1 -19 12  2  f 116.2998 44.04773 4.318367       4.523403  5.101126       4.218744  -5.315750      68.55508 
1 1 1 -19 12  3  o 87.63273 39.06874 0.7711852      4.378082  2.418734       4.234449  -6.712730      61.05348 
1 1 1 -19 12  4  o 77.36429 35.87164 1.576864       4.326107  -0.7898546     3.913427  11.06360       57.21708 
1 1 1 -19 12  5  f 71.64360 34.28461 -3.993432      4.319149  1.926350       4.330391  -18.90721      55.70473 
1 1 1 -19 12  6  o 76.89207 35.87503 2.827073       4.397461  -1.469004      4.037472  16.68604       56.83237 
1 1 1 -19 13  1  o 98.94968 42.11022 3.090875       4.907785  3.208737       4.225050  0.1430359      64.81952 
1 1 1 -19 13  2  o 154.2330 45.57214 5.191172       4.935807  11.92446       4.430040  -53.90777      72.35275 
1 1 1 -19 13  3  o 91.11012 39.97549 2.334475       4.469751  2.497780       4.212953  -0.2725220     61.55114 
1 1 1 -19 13  4  f 98.09760 41.51986 6.457521       4.580355  1.138073       4.171201  25.27654       63.74861 
1 1 1 -19 13  5  o 86.66124 38.93047 5.355512       4.739758  -0.6039272E-01 4.062668  22.20892       60.45518 
1 1 1 -19 14  1  o 99.62334 42.44065 3.011697       4.870452  4.021747       4.383689  -4.472549      64.52245 
1 1 1 -19 14  2  o 107.8617 43.59830 4.243211       4.741699  5.158723       4.316474  -5.472748      65.78682 
1 1 1 -19 14  3  o 85.76350 38.64707 3.588952       4.800914  0.9745548      3.985691  11.41952       59.71561 
1 1 1 -19 14  4  o 77.60896 36.24594 3.550983       4.661099  -1.253262      4.029421  18.12797       57.12610 
1 1 1 -19 15  1  o 159.4959 47.42876 11.59055       5.284139  9.792723       4.821828  5.302597       76.06676 
1 1 1 -19 15  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -18 -17 1  o 89.47139 39.89008 -1.099079      4.378270  1.624225       4.606059  -15.27568      65.41148 
1 1 1 -18 -16 1  o 86.97347 39.13219 -4.431855      4.439222  3.922338       4.414994  -41.72828      64.89321 
1 1 1 -18 -16 2  o 111.7234 44.59055 2.174729       4.764274  3.636222       4.560445  -8.167030      71.40218 
1 1 1 -18 -15 1  o 95.77336 41.53412 0.6935832      4.593128  0.9427005      4.536617  -0.9151154     67.70261 
1 1 1 -18 -15 2  o 84.73284 38.78002 -2.434329      4.526055  0.8142007      4.637394  -15.71601      64.46636 
1 1 1 -18 -15 3  o 111.2483 44.43248 3.057338       4.660159  2.701239       4.599131  2.506546       71.27132 
1 1 1 -18 -14 1  o 158.4227 45.62504 2.849490       4.697618  11.22721       4.755917  -72.39179      74.45496 
1 1 1 -18 -14 2  o 212.5305 39.85934 12.43541       5.081257  11.35567       5.042853  10.21866       79.28544 
1 1 1 -18 -14 3  o 160.7305 45.74227 6.677525       4.739388  8.085073       4.818081  -12.02141      78.26288 
1 1 1 -18 -14 4  o 138.8922 46.57535 4.599684       4.785348  6.529430       4.674633  -14.80931      75.93636 
1 1 1 -18 -13 1  o 151.6025 45.35700 3.724286       4.482203  9.152743       4.718548  -47.42190      75.48854 
1 1 1 -18 -13 2  o 151.5890 45.91142 3.050587       4.573062  10.08565       4.811874  -59.86777      75.30953 
1 1 1 -18 -13 3  o 88.27959 39.61156 -0.8853204     4.537206  0.4587754      4.467220  -6.014648      65.25837 
1 1 1 -18 -13 4  o 158.5461 45.51362 8.336140       4.652897  5.929828       4.770590  21.29790       77.34794 
1 1 1 -18 -13 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -18 -12 1  o 277.5329 35.00296 20.00198       6.847786  18.34074       5.250154  -4.022949      77.65393 
1 1 1 -18 -12 2  o 110.0041 43.28232 4.229111       4.380492  0.9824061      4.283892  22.97231       69.99602 
1 1 1 -18 -12 3  o 164.1339 43.43676 6.632146       4.450909  8.045895       4.531671  -13.17371      76.21514 
1 1 1 -18 -12 4  o 90.58560 40.07849 0.9732418      4.343534  -0.5140131     4.551737  5.965630       65.62682 
1 1 1 -18 -12 5  o 71.45714 34.31084 -5.429853      4.232802  -0.6525471     4.618629  -21.73305      59.47402 
1 1 1 -18 -11 1  o 148.2815 52.59247 11.02186       6.262430  1.292258       5.877965  65.41850       84.15059 
1 1 1 -18 -11 2  o 109.1864 47.17535 0.6788284      5.987319  1.754120       5.712325  -3.367653      76.70254 
1 1 1 -18 -11 3  o 129.6781 44.53848 3.948449       4.284058  5.006520       4.370947  -8.812599      72.91917 
1 1 1 -18 -11 4  o 83.56993 37.73062 1.013253       4.203157  -2.091220      4.111332  16.89249       62.86161 
1 1 1 -18 -11 5  o 83.63214 37.88822 -0.1242508     4.139479  -0.9485292     4.335251  2.258591       62.67997 
1 1 1 -18 -11 6  o 94.54305 42.38040 1.405772       5.990772  -0.4768685     4.571114  17.59832       70.10633 
1 1 1 -18 -10 1  o 150.1210 51.41435 8.189230       5.677551  3.516317       5.856311  32.46284       83.60320 
1 1 1 -18 -10 2  o 121.3593 49.34200 6.103972       5.866118  -0.3121877     5.776668  36.27891       79.60085 
1 1 1 -18 -10 3  f 109.2674 47.25273 2.841394       5.833720  -0.2820328     5.916390  14.30028       76.71198 
1 1 1 -18 -10 4  o 65.47178 31.85233 -9.239503      3.915201  2.144203       4.376598  -49.90525      58.82301 
1 1 1 -18 -10 5  o 141.5376 43.96239 3.500349       4.110941  7.888181       4.436466  -38.87389      72.95855 
1 1 1 -18 -10 6  f 92.22012 40.22519 -0.5240415     4.304529  1.881056       4.363188  -13.57125      65.66277 
1 1 1 -18 -10 7  o 86.27658 38.20919 3.998747       3.925150  -4.061647      4.184702  41.69440       62.49929 
1 1 1 -18 -9  1  o 179.0356 51.84679 7.592720       6.211711  9.855974       5.971094  -17.79146      88.22829 
1 1 1 -18 -9  2  o 129.1021 50.04279 0.2651738      5.549047  7.620804       5.907804  -47.28142      80.75265 
1 1 1 -18 -9  3  o 159.2985 52.67997 4.066047       5.924839  10.51121       6.192322  -45.18832      85.83067 
1 1 1 -18 -9  4  o 250.2714 46.47785 15.81188       6.846025  18.24150       7.058965  -17.95274      93.25485 
1 1 1 -18 -9  5  o 92.66148 39.70942 -0.8538911     3.970913  2.706620       4.192373  -23.43279      65.12834 
1 1 1 -18 -9  6  o 99.44761 41.17979 0.2376837      4.111631  3.292275       4.189914  -19.85357      66.60728 
1 1 1 -18 -9  7  o 104.5002 42.02149 2.527405       4.097407  2.151139       4.246234  1.640221       67.65759 
1 1 1 -18 -8  1  o 118.4501 43.90567 6.444067       4.572563  0.4622999      4.048235  50.26283       71.42519 
1 1 1 -18 -8  2  o 222.4352 46.83201 14.63636       6.559849  11.57883       5.993072  23.06061       89.17727 
1 1 1 -18 -8  3  o 94.04670 41.93592 -0.1425281     4.546478  -0.5837948     5.516698  -6.535851      69.84589 
1 1 1 -18 -8  4  o 91.62196 42.62421 -3.013474      5.877913  -0.9526278     5.861351  -7.545120      71.26058 
1 1 1 -18 -8  5  o 82.48239 39.61359 -4.051942      5.996148  -3.971975      5.789490  1.458008       67.21866 
1 1 1 -18 -8  6  o 94.64672 40.37643 -1.319000      4.089282  3.587600       4.278683  -31.08263      66.00883 
1 1 1 -18 -8  7  o 209.4622 36.26899 11.88160       4.444645  10.90074       4.645990  12.65443       74.05102 
1 1 1 -18 -8  8  o 85.42506 38.12708 2.595040       3.930683  -2.948881      4.319678  25.28773       62.33043 
1 1 1 -18 -7  1  o 244.5785 30.44473 12.96162       4.476635  15.16010       4.563150  -20.86949      64.15589 
1 1 1 -18 -7  2  o 188.9066 45.57204 14.16800       6.431940  6.909039       4.582721  58.23349       83.67485 
1 1 1 -18 -7  3  o 143.3472 52.30478 7.905133       5.774366  2.038702       6.356184  35.07043       83.83324 
1 1 1 -18 -7  4  o 196.5418 38.95219 10.30529       4.497218  9.365499       4.669873  10.86093       75.49483 
1 1 1 -18 -7  5  o 273.7541 41.93896 18.58213       7.003660  20.62553       6.791909  -20.10605      89.32537 
1 1 1 -18 -7  6  o 114.9322 48.84857 0.4312526      5.889961  4.600204       6.289188  -21.58243      78.56664 
1 1 1 -18 -7  7  o 164.9210 43.30721 9.355514       4.571038  6.071143       4.406224  30.02147       75.72453 
1 1 1 -18 -7  8  o 140.1205 48.35624 8.678959       4.482417  0.7556858      6.080262  49.93884       75.16653 
1 1 1 -18 -6  1  o 282.6487 26.62114 20.64552       4.707654  16.26984       4.523068  35.78635       55.81149 
1 1 1 -18 -6  2  o 145.8107 43.63774 3.949939       4.176495  7.024784       4.334964  -29.10521      73.56168 
1 1 1 -18 -6  3  o 97.03369 44.13353 -0.2828525     5.520468  -2.072351      6.161817  2.117928       73.45522 
1 1 1 -18 -6  4  o 197.0730 51.71617 12.76922       6.103537  8.417139       6.745436  36.09052       89.93544 
1 1 1 -18 -6  5  f 249.9504 31.80400 18.86525       4.668266  11.10295       4.986840  77.91772       69.03053 
1 1 1 -18 -6  6  o 266.1420 42.62696 16.43576       6.494424  22.03732       7.153203  -38.51039      89.86758 
1 1 1 -18 -6  7  o 179.1335 43.70711 7.684140       5.140427  9.837530       4.541198  -23.40213      78.45884 
1 1 1 -18 -6  8  o 171.5027 67.51962 0.000000       0.000000  12.20949       7.457216  ?              ?        
1 1 1 -18 -6  9  o 80.29111 36.62770 -0.2501500     4.094358  -0.8234660     3.993819  3.647163       60.44725 
1 1 1 -18 -5  1  o 219.1557 32.94617 11.82197       4.409513  10.91786       4.274548  8.698334       67.78295 
1 1 1 -18 -5  2  o 101.7122 41.23558 2.041078       4.020985  0.9257468      4.083385  7.279320       67.62418 
1 1 1 -18 -5  3  o 85.05481 38.03090 0.1978149E-02  4.080652  -1.088635      4.140887  5.310455       63.49118 
1 1 1 -18 -5  4  o 181.0007 53.30719 12.31937       6.153546  5.571897       6.651884  49.91374       88.44920 
1 1 1 -18 -5  5  o 112.5966 48.44593 3.699278       5.727138  -1.154335      6.592222  17.24868       78.14400 
1 1 1 -18 -5  6  o 165.0593 53.26784 5.922930       6.093724  10.72315       6.329028  -32.44554      87.19041 
1 1 1 -18 -5  7  o 186.3508 63.69006 0.000000       0.000000  12.32589       6.254568  ?              ?        
1 1 1 -18 -5  8  o 159.7371 48.34661 7.237193       4.277077  9.255437       7.196209  -4.421463      83.05216 
1 1 1 -18 -5  9  o 96.55497 40.88020 -1.092322      4.103208  4.589857       4.370157  -35.17532      66.17654 
1 1 1 -18 -4  1  o 135.0493 42.87591 4.708804       4.012985  4.105014       4.056182  5.460037       71.84480 
1 1 1 -18 -4  2  o 129.1224 43.26236 4.938810       4.165049  3.136578       4.000461  16.89403       71.63698 
1 1 1 -18 -4  3  o 180.9092 39.69537 13.04687       4.387311  3.749886       4.278835  92.78653       69.04565 
1 1 1 -18 -4  4  o 179.7856 46.71182 9.161975       6.257463  8.397256       4.619795  2.417252       83.59818 
1 1 1 -18 -4  5  o 92.93058 42.62220 -2.147289      5.435661  -0.2727693     5.720894  -10.04299      71.05370 
1 1 1 -18 -4  6  o 185.9578 54.97294 0.000000       0.000000  10.53125       4.796379  ?              ?        
1 1 1 -18 -4  7  o 233.8417 63.73195 0.000000       0.000000  18.79173       6.714323  ?              ?        
1 1 1 -18 -4  8  o 108.9684 50.37111 0.9123455E-01  5.657661  0.000000       0.000000  ?              ?        
1 1 1 -18 -4  9  o 107.3860 42.39342 3.280069       4.105574  2.339353       4.232636  5.736588       67.86942 
1 1 1 -18 -4  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -18 -3  1  o 138.4105 42.48896 2.060348       3.900868  7.544243       4.101055  -53.46348      69.96396 
1 1 1 -18 -3  2  o 435.4105 29.85019 43.96373       5.666461  0.000000       0.000000  ?              ?        
1 1 1 -18 -3  3  o 225.7386 31.47123 10.44897       4.220696  13.97026       4.357130  -35.57843      65.79205 
1 1 1 -18 -3  4  o 130.8040 43.56505 3.397486       4.059738  5.431781       4.222066  -18.25813      71.92239 
1 1 1 -18 -3  5  o 109.9762 46.91083 2.105732       5.415760  0.8060304      5.900024  3.396553       76.21359 
1 1 1 -18 -3  6  o 182.8803 51.54295 6.670268       5.754063  13.80655       6.509432  -51.64545      87.80828 
1 1 1 -18 -3  7  o 113.6281 47.87838 6.197943       5.923579  -0.6071298     5.604545  35.17448       76.82864 
1 1 1 -18 -3  8  o 167.4121 52.31005 10.74329       6.097158  6.911259       5.960992  26.32404       86.12111 
1 1 1 -18 -3  9  o 178.3953 41.30477 9.751871       4.547825  8.300475       4.416395  13.02217       76.14722 
1 1 1 -18 -3  10 o 65.04783 31.69160 -4.784444      4.030200  -2.587308      4.228652  -9.279793      54.53830 
1 1 1 -18 -2  1  o 185.0367 36.26033 9.824911       4.006816  6.647317       4.019495  35.11018       69.19605 
1 1 1 -18 -2  2  o 222.5299 31.71885 8.617994       4.145697  15.11721       4.372721  -65.97449      65.36929 
1 1 1 -18 -2  3  o 222.8277 32.30659 13.57640       4.374205  10.23082       4.297755  34.38406       67.12785 
1 1 1 -18 -2  4  o 115.7700 43.21553 6.208656       4.107431  -0.2693253     4.228806  48.83483       68.89886 
1 1 1 -18 -2  5  o 172.7216 52.46658 8.214024       5.943525  8.825223       6.304241  -4.047119      88.16098 
1 1 1 -18 -2  6  o 177.7384 52.83702 11.39772       6.389832  7.549617       6.123040  27.24083       88.76421 
1 1 1 -18 -2  7  o 76.12733 35.62819 -1.278622      4.130962  -2.301593      4.275219  2.970703       59.91555 
1 1 1 -18 -2  8  o 118.4782 48.87054 6.284894       5.761681  0.4517243      5.868868  29.06528       77.43040 
1 1 1 -18 -2  9  o 84.07914 39.77207 -9.177652      5.302579  6.415180       5.696632  -59.00603      68.75329 
1 1 1 -18 -2  10 o 88.55208 38.57790 -1.237886      3.915488  3.239159       4.038313  -25.83616      62.56084 
1 1 1 -18 -1  1  o 433.7523 19.93220 38.77182       5.211366  45.99981       5.497564  -37.48398      40.47393 
1 1 1 -18 -1  2  o 199.9755 35.08160 12.02230       4.190478  7.236796       4.195956  51.50185       68.87220 
1 1 1 -18 -1  3  o 119.3988 42.71613 9.561322       4.165534  -2.122470      3.864698  99.84476       64.64960 
1 1 1 -18 -1  4  o 202.3117 36.20713 9.854859       4.253247  10.62881       4.512400  -6.225861      72.43974 
1 1 1 -18 -1  5  o 83.79365 38.77797 -3.174594      5.818869  -0.9263717     4.128551  6.885139       65.83447 
1 1 1 -18 -1  6  f 167.3682 52.22668 10.35541       6.175559  6.443821       5.858624  27.59608       86.58583 
1 1 1 -18 -1  7  o 108.9977 47.86631 3.842502       6.183777  -0.7999036     6.274708  19.05957       76.85094 
1 1 1 -18 -1  8  o 140.5225 51.05652 7.876905       5.709351  4.433134       5.792920  21.06068       81.08977 
1 1 1 -18 -1  9  o 82.02983 39.15448 -3.765016      5.447511  -1.265760      5.688381  -9.469398      65.12946 
1 1 1 -18 -1  10 o 68.86824 32.91680 -3.985081      3.991066  -0.7979960     3.931193  -11.71404      55.68631 
1 1 1 -18 0   1  o 290.2952 24.77135 20.59919       4.506288  17.91942       4.334989  20.91193       51.29432 
1 1 1 -18 0   2  o 175.1003 38.95918 9.314416       4.221375  6.015755       4.030352  34.86964       71.63676 
1 1 1 -18 0   3  o 83.30263 37.21744 0.1275263      3.944243  -1.302940      3.912075  8.497200       62.36273 
1 1 1 -18 0   4  o 130.5605 43.08455 8.454659       4.106377  0.5568585      3.996315  69.63729       68.23344 
1 1 1 -18 0   5  f 132.4649 44.54688 4.545147       4.223709  4.676260       4.435753  -1.672852      73.38018 
1 1 1 -18 0   6  o 91.28492 42.49219 -0.9397880     5.825332  -2.563489      5.868279  5.602737       70.61616 
1 1 1 -18 0   7  o 109.9794 47.35230 4.181958       5.810922  -0.1548072     5.887801  19.61193       75.81696 
1 1 1 -18 0   8  o 140.1367 50.29678 5.759426       5.301732  6.715510       5.859524  -5.693100      80.35477 
1 1 1 -18 0   9  o 100.0993 44.42255 0.6344546      5.413692  1.912572       5.591662  -6.267433      71.08208 
1 1 1 -18 0   10 o 110.3570 42.89803 10.55699       4.452499  -2.401234      4.007401  91.47691       66.25340 
1 1 1 -18 0   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -18 1   1  o 152.7727 41.48728 4.727273       3.992740  6.916401       4.073050  -22.48669      71.99610 
1 1 1 -18 1   2  o 261.4180 28.79179 14.21179       4.529840  17.76744       4.656246  -31.79376      60.94035 
1 1 1 -18 1   3  o 242.9508 30.66641 11.43587       4.552844  16.52144       4.485682  -50.68408      65.37281 
1 1 1 -18 1   4  o 111.6036 43.06167 2.143001       4.215736  3.248963       4.226378  -8.084869      69.90578 
1 1 1 -18 1   5  o 253.0798 31.08943 10.68809       4.624478  21.12348       4.948616  -95.03363      66.86272 
1 1 1 -18 1   6  f 256.4270 44.58601 18.63424       6.994895  17.09728       6.685261  9.077911       91.89306 
1 1 1 -18 1   7  o 128.3953 50.50451 2.659281       5.790581  6.717708       6.007479  -22.63991      80.10393 
1 1 1 -18 1   8  o 88.84499 40.94000 -2.232296      5.117914  1.222765       5.340995  -14.93855      67.09635 
1 1 1 -18 1   9  o 89.97872 41.41290 0.9901949      5.387388  -1.638931      5.264387  10.77919       67.39057 
1 1 1 -18 1   10 o 85.47917 38.91554 2.716447       5.268470  -1.493439      4.041198  25.66721       64.58455 
1 1 1 -18 1   11 o 112.7893 42.39030 4.249442       4.020827  3.509711       4.025907  5.172791       67.20740 
1 1 1 -18 2   1  o 131.5795 42.88589 5.819286       4.026669  2.578025       4.009820  29.77692       70.84811 
1 1 1 -18 2   2  o 327.9380 23.63425 26.58036       4.941103  22.84020       4.625669  24.93826       48.76927 
1 1 1 -18 2   3  o 368.8980 22.49156 29.76720       5.231559  32.38939       5.019798  -18.10800      46.49384 
1 1 1 -18 2   4  o 219.5830 33.17693 12.89275       4.503258  10.98084       4.263183  17.72408       69.28915 
1 1 1 -18 2   5  o 137.8712 47.82194 2.538766       5.752450  6.802630       4.471830  -26.89171      76.88216 
1 1 1 -18 2   6  o 250.5710 45.67048 25.37776       7.253453  10.88104       6.485426  109.0268       88.04784 
1 1 1 -18 2   7  o 184.6134 53.10611 9.481061       6.445115  12.13818       6.369711  -19.26228      89.62257 
1 1 1 -18 2   8  o 133.1930 51.29243 8.470088       6.788087  4.025262       5.406235  23.39458       81.43855 
1 1 1 -18 2   9  o 95.64054 45.92673 -2.375320      5.593878  0.000000       0.000000  ?              ?        
1 1 1 -18 2   10 o 93.34987 41.69487 9.097647       6.239723  -2.483575      4.198818  59.53602       71.51704 
1 1 1 -18 2   11 o 110.3261 42.83010 3.331037       4.172447  4.180957       4.217622  -5.501114      67.41046 
1 1 1 -18 3   1  o 221.8916 31.97751 9.230041       4.414616  13.85371       4.147152  -50.08501      66.59188 
1 1 1 -18 3   2  o 113.4241 42.31553 5.024745       4.217302  0.9344618      3.802623  35.80074       69.13503 
1 1 1 -18 3   3  o 92.95944 39.39326 1.670288       4.087887  0.3480951E-01  3.796522  13.35776       64.90871 
1 1 1 -18 3   4  o 88.23354 38.47208 -1.559926      4.045674  2.080500       3.881289  -19.81393      63.21629 
1 1 1 -18 3   5  o 181.1991 50.85939 5.734282       6.073465  13.12382       5.831974  -57.55449      85.02502 
1 1 1 -18 3   6  o 151.7316 50.45868 6.842052       5.866439  7.012975       5.283800  -1.774734      82.34541 
1 1 1 -18 3   7  o 229.0620 48.80127 14.73170       6.714203  16.55886       6.729555  -14.41385      93.23984 
1 1 1 -18 3   8  o 98.18181 46.60604 0.000000       0.000000  -1.228830      5.420263  ?              ?        
1 1 1 -18 3   9  o 126.3019 55.28059 5.309926       5.830722  0.000000       0.000000  ?              ?        
1 1 1 -18 3   10 o 140.9020 45.01041 8.413285       4.600364  4.858407       4.296280  26.40480       73.41014 
1 1 1 -18 3   11 o 82.78508 37.68898 -1.049478      4.197293  1.793645       4.311704  -13.06740      60.67896 
1 1 1 -18 4   1  o 145.3177 41.65822 3.970031       4.028829  6.636663       3.873753  -26.20763      70.85779 
1 1 1 -18 4   2  o 208.3320 33.84301 10.60425       4.352813  10.52819       4.105367  -1.082367      69.19278 
1 1 1 -18 4   3  o 166.4584 40.10007 7.851737       4.292801  6.693729       3.915655  10.74408       72.81029 
1 1 1 -18 4   4  o 171.2010 45.23494 13.50233       6.593255  6.144087       4.044099  51.11281       83.01082 
1 1 1 -18 4   5  o 193.2334 49.69529 12.53371       6.437577  9.538598       5.624693  19.16795       88.34270 
1 1 1 -18 4   6  o 123.7003 49.15599 4.022422       5.989731  4.164514       5.341347  0.9408112      78.11308 
1 1 1 -18 4   7  o 84.38054 37.90507 0.9400729      4.134532  -0.8717174     4.135978  9.020920       61.99734 
1 1 1 -18 4   8  o 125.9281 54.53787 0.000000       0.000000  5.306329       5.549945  ?              ?        
1 1 1 -18 4   9  o 107.2540 49.82878 1.570358       5.642218  0.000000       0.000000  ?              ?        
1 1 1 -18 4   10 o 95.66724 40.54491 4.407487       4.382943  0.2800383      3.982285  24.25313       64.53979 
1 1 1 -18 4   11 o 94.23615 43.56889 1.206526       4.235572  0.000000       0.000000  ?              ?        
1 1 1 -18 5   1  o 285.7607 27.57425 17.14836       4.925021  20.90225       4.735110  -33.44141      59.00394 
1 1 1 -18 5   2  o 276.4743 27.29647 13.04453       4.645207  22.84389       4.595993  -87.01085      60.67989 
1 1 1 -18 5   3  o 107.7600 42.27132 7.828349       4.638458  -1.001210      3.744776  70.15984       68.86507 
1 1 1 -18 5   4  o 271.9513 41.38488 29.07789       7.577223  13.35519       6.163014  110.5817       85.83808 
1 1 1 -18 5   5  f 122.2809 49.75041 3.780707       6.448765  3.573849       5.506900  4.194504       79.36213 
1 1 1 -18 5   6  o 117.3984 46.22172 1.013682       4.440430  7.978189       5.665378  -45.68670      75.16529 
1 1 1 -18 5   7  o 118.5971 48.60859 7.477356       6.031880  1.240266       5.425925  32.27681       76.83667 
1 1 1 -18 5   8  o 98.08300 44.64565 -2.347043      6.669992  3.307130       5.444930  -14.47286      70.55324 
1 1 1 -18 5   9  o 99.91841 44.68040 4.175336       6.221432  0.1772022      5.250592  18.25426       70.92270 
1 1 1 -18 5   10 o 198.6536 36.53935 12.70485       4.569606  10.20736       4.136355  17.76271       74.38860 
1 1 1 -18 5   11 o 94.51955 40.42303 5.897239       4.497915  -0.4346194     3.969856  34.56232       64.24076 
1 1 1 -18 6   1  o 100.7244 41.39402 0.8922241      4.183299  2.126683       4.120053  -7.661285      67.54639 
1 1 1 -18 6   2  o 68.98627 33.09698 -0.9407071     4.338011  -5.100924      3.875459  22.06216       57.99393 
1 1 1 -18 6   3  o 160.9600 53.07188 4.518599       6.313427  11.01962       5.991313  -43.55630      85.32714 
1 1 1 -18 6   4  o 92.45286 42.47210 -6.752141      5.987632  3.650226       5.219889  -34.85288      69.87637 
1 1 1 -18 6   5  o 84.69705 39.98973 0.9082665      5.771886  -4.768912      5.265495  23.56396       67.33549 
1 1 1 -18 6   6  o 100.6738 45.56581 1.352113       6.118074  0.2693891      6.095088  4.099701       72.90237 
1 1 1 -18 6   7  o 180.4394 54.34027 18.02190       7.153468  6.898392       6.126277  63.20695       89.12054 
1 1 1 -18 6   8  o 82.88641 39.87372 1.038041       6.966427  -4.529592      5.384441  22.91801       66.66080 
1 1 1 -18 6   9  o 101.5268 42.33607 -3.140363      4.517575  8.410201       4.348145  -63.63923      65.89539 
1 1 1 -18 6   10 o 71.81485 33.73864 -3.117281      4.105793  0.7505692      3.602077  -11.63965      55.17987 
1 1 1 -18 6   11 o 84.00681 37.52618 0.3599076      4.258108  1.761226       3.770011  -4.284164      59.24879 
1 1 1 -18 7   1  o 312.0590 36.01497 24.91908       6.977454  23.92173       6.717728  4.366760       79.36588 
1 1 1 -18 7   2  o 244.2639 45.47456 13.43875       6.678419  19.46226       6.596149  -51.69012      90.15000 
1 1 1 -18 7   3  o 110.0033 46.74977 7.197872       6.079363  -1.459824      5.166786  48.16150       76.33439 
1 1 1 -18 7   4  o 95.81481 42.31332 -2.237123      4.447690  5.331156       5.617098  -44.77448      70.87362 
1 1 1 -18 7   5  o 181.7441 53.43631 6.995780       6.446675  14.75068       6.400979  -53.12785      87.84181 
1 1 1 -18 7   6  o 113.3342 48.43066 6.154499       6.382930  1.081823       5.735562  23.36806       76.32626 
1 1 1 -18 7   7  o 109.2608 47.13911 5.071296       6.403390  2.045809       5.370687  14.32951       73.77562 
1 1 1 -18 7   8  o 79.27729 36.66557 4.249605       4.685662  -3.708898      3.913178  39.89101       61.87611 
1 1 1 -18 7   9  o 207.1626 37.60059 10.11053       4.738045  15.07175       4.574355  -51.99564      75.33086 
1 1 1 -18 7   10 o 94.98485 40.64452 0.4814077      4.283471  4.405860       4.236481  -19.68294      63.42952 
1 1 1 -18 7   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -18 8   1  o 278.9805 41.20066 22.24824       6.925658  19.31058       6.906024  24.57045       89.26636 
1 1 1 -18 8   2  o 271.0231 42.37349 17.29897       7.019841  22.40114       6.768540  -46.85500      90.02594 
1 1 1 -18 8   3  o 82.32375 37.51154 -2.532442      4.487209  0.9128946      4.003940  -11.93854      61.91944 
1 1 1 -18 8   4  o 210.2092 50.78125 16.97873       6.980040  11.16652       6.185492  35.99890       91.91330 
1 1 1 -18 8   5  o 115.8698 48.70758 2.426835       6.027524  4.894028       5.849131  -10.77596      76.14738 
1 1 1 -18 8   6  o 96.06947 44.09061 -0.4372596     6.442105  1.618125       5.599399  -3.537453      69.92325 
1 1 1 -18 8   7  o 83.44610 37.82190 4.273203       4.599267  -2.453691      3.929717  34.95647       62.37967 
1 1 1 -18 8   8  o 106.5422 42.57415 5.029402       4.424932  2.160100       4.098506  17.63868       66.88232 
1 1 1 -18 8   9  o 116.2032 43.46643 4.855979       4.467371  4.812404       4.009097  -0.7210083     67.68893 
1 1 1 -18 8   10 o 75.26383 35.42014 -0.3667921     4.485686  -0.5125140     4.052610  2.842552       56.86837 
1 1 1 -18 9   1  o 82.90565 37.55557 -0.6946433     4.235408  -0.2215211     4.086166  -0.9898682     62.02279 
1 1 1 -18 9   2  o 137.1379 50.81440 7.424853       6.036769  4.328264       5.484385  18.87383       81.06113 
1 1 1 -18 9   3  o 119.0152 48.87962 -1.198543      5.861655  8.605022       5.708839  -48.89141      76.72336 
1 1 1 -18 9   4  f 146.1167 52.44909 11.75657       6.371104  3.939016       5.765985  44.00403       82.78893 
1 1 1 -18 9   5  o 102.6006 43.30496 5.552207       5.958291  1.196075       4.032552  26.99377       70.54126 
1 1 1 -18 9   6  o 70.02341 33.51702 -8.461004      4.189988  4.068285       4.088809  -46.73620      57.85844 
1 1 1 -18 9   7  o 66.61297 32.21829 0.1487599      4.268139  -4.930877      3.885725  20.50624       54.86654 
1 1 1 -18 9   8  o 108.8417 43.31493 0.1507480      4.472478  7.758587       4.300090  -43.78150      66.65052 
1 1 1 -18 9   9  o 88.52419 39.01667 0.6304871      4.366321  2.824874       4.003808  -8.944695      60.85371 
1 1 1 -18 9   10 o 60.70448 29.99484 -3.526213      4.326586  -3.778821      3.953533  3.351730       50.19079 
1 1 1 -18 10  1  o 118.5215 48.96602 7.829830       6.108804  0.3746166E-01  5.621065  40.33645       77.90631 
1 1 1 -18 10  2  o 155.9063 53.39214 4.487610       6.192666  12.30399       6.241381  -47.23403      84.33531 
1 1 1 -18 10  3  o 108.8792 43.38631 6.198194       4.676884  0.8527476      4.173592  34.78413       69.25424 
1 1 1 -18 10  4  o 96.34472 40.79872 3.058600       4.484362  1.204914       3.988703  12.36307       65.05418 
1 1 1 -18 10  5  f 112.6089 43.58834 3.177423       4.528936  4.834473       4.164133  -10.15650      68.19254 
1 1 1 -18 10  6  o 92.30162 39.49063 2.320240       4.240554  1.680769       3.831119  4.960114       62.37249 
1 1 1 -18 10  7  o 77.02747 35.78675 0.1995990      4.377542  -0.6433359     3.896549  6.271759       57.86991 
1 1 1 -18 10  8  o 70.15401 33.37405 -0.8940133     4.082680  -1.246576      3.872570  2.589615       54.21025 
1 1 1 -18 10  9  o 98.16689 40.86836 6.418180       4.432838  0.9720411      3.863253  28.94066       63.62310 
1 1 1 -18 10  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -18 11  1  o 91.89482 40.22665 0.3824012      4.545253  1.723041       4.209441  -4.795456      64.58407 
1 1 1 -18 11  2  o 123.3223 44.64562 3.802321       4.593306  5.590878       4.214896  -12.57209      70.90443 
1 1 1 -18 11  3  o 80.31868 36.88803 1.009923       4.402246  -1.218316      4.012111  12.31313       60.17804 
1 1 1 -18 11  4  o 113.2568 43.27943 5.260602       4.410162  3.284254       4.080338  12.65092       68.02421 
1 1 1 -18 11  5  o 73.56808 36.30913 -4.564795      4.233841  0.000000       0.000000  ?              ?        
1 1 1 -18 11  6  o 80.45682 36.83707 0.9041753      4.363578  -0.1405747     3.944932  6.651215       59.03791 
1 1 1 -18 11  7  o 99.83716 41.68943 1.773949       4.506330  4.804672       4.128335  -15.11482      63.85320 
1 1 1 -18 11  8  o 91.59993 39.76364 0.7681102      4.286842  4.128810       4.103676  -15.37206      61.29518 
1 1 1 -18 11  9  o 79.68666 36.87222 0.6413680      4.569406  1.179147       4.078489  -0.3667068     57.41399 
1 1 1 -18 12  1  o 83.74134 38.18633 5.274547       4.683103  -3.880519      4.144024  44.93261       63.56418 
1 1 1 -18 12  2  o 87.98907 38.99427 5.383317       4.400685  -2.489532      4.066793  40.79579       63.21708 
1 1 1 -18 12  3  o 80.67019 36.87779 -3.719001      4.229131  3.855172       4.031014  -32.10346      59.71522 
1 1 1 -18 12  4  o 86.63940 38.52843 -0.9068895E-01 4.204540  2.515850       4.115245  -11.77412      60.99588 
1 1 1 -18 12  5  o 122.9375 44.26017 4.575354       4.468551  6.243031       4.165515  -12.08298      69.13504 
1 1 1 -18 12  6  o 90.72773 39.83907 6.551390       4.530927  -1.225229      4.125169  36.60216       62.80671 
1 1 1 -18 12  7  o 87.50471 38.67961 3.445488       4.382303  0.9240443      3.916687  12.24804       60.14155 
1 1 1 -18 12  8  o 82.95052 37.71525 5.459686       4.527452  -1.416160      4.004480  28.47209       59.51842 
1 1 1 -18 13  1  o 98.55022 41.84288 3.793395       4.586228  1.648041       4.330922  11.46309       65.45944 
1 1 1 -18 13  2  o 107.4803 43.36030 4.029986       4.695961  3.646501       4.248421  2.298309       67.29484 
1 1 1 -18 13  3  o 90.93658 39.91323 5.100056       4.700961  -0.5640968     4.027774  29.07687       63.72174 
1 1 1 -18 13  4  o 92.23624 40.02500 0.4011919      4.409675  3.922279       4.096262  -15.96204      62.14701 
1 1 1 -18 13  5  o 108.4986 43.07660 6.327732       4.553270  3.192675       4.129318  16.21458       65.90620 
1 1 1 -18 13  6  o 89.51589 39.71496 -0.8724242     4.425434  5.527614       4.362237  -26.85277      61.39583 
1 1 1 -18 13  7  o 72.84949 34.42985 -0.5495120     4.256642  0.3439931      3.953334  -1.688782      54.37160 
1 1 1 -18 13  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -18 14  1  f 85.31188 38.89412 -0.2325774     4.769975  1.739101       4.357896  -6.030739      61.44067 
1 1 1 -18 14  2  o 138.7131 45.77131 7.402268       4.915239  7.185713       4.290492  -3.041779      72.58504 
1 1 1 -18 14  3  o 73.46323 34.98958 -3.352619      4.580542  1.439000       4.227982  -13.47860      56.17821 
1 1 1 -18 14  4  o 119.9561 44.97033 6.723907       4.892164  5.518863       4.224777  3.570335       68.46178 
1 1 1 -18 14  5  o 67.79959 32.95871 -0.2198747     4.694624  -3.099466      4.145713  10.74344       53.65366 
1 1 1 -18 14  6  o 88.66064 39.59410 3.547369       4.812108  2.103475       4.143809  5.879021       60.06353 
1 1 1 -18 14  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -18 15  1  o 77.70139 36.36318 2.611012       4.659893  -1.726956      4.137560  17.40728       58.15071 
1 1 1 -18 15  2  o 67.70667 32.92162 -1.866887      4.556859  -2.213881      4.243940  2.737106       53.54119 
1 1 1 -18 15  3  o 111.7273 44.42926 5.674895       4.965109  5.149809       4.319571  0.5185471      66.74853 
1 1 1 -18 15  4  o 71.96576 34.64374 -0.7698564     4.927414  -0.7129161     4.274239  2.436394       54.85513 
1 1 1 -18 15  5  o 68.38228 33.29913 -5.278496      4.790648  1.799966       4.323024  -15.77680      53.32055 
1 1 1 -18 16  1  o 86.17988 39.41180 3.553034       4.977650  0.6912658      4.497066  10.65894       60.53104 
1 1 1 -18 16  2  o 69.15408 33.46415 1.911835       4.705034  -3.603713      4.143683  17.85899       54.28350 
1 1 1 -18 16  3  o 73.78412 35.61744 -5.074380      6.294713  1.653412       4.158494  -8.186996      55.49953 
1 1 1 -17 -18 1  o 148.3189 49.77379 7.507258       5.530778  6.005651       5.279451  10.24489       80.92679 
1 1 1 -17 -17 1  o 189.6318 45.28133 13.70425       5.318846  6.795459       5.189302  60.31897       80.31270 
1 1 1 -17 -17 2  o 108.6329 45.25670 1.304122       5.031830  3.451887       5.080246  -11.95911      72.54786 
1 1 1 -17 -16 1  o 223.5508 35.99720 13.28898       4.805386  12.06406       4.839539  12.82066       74.70439 
1 1 1 -17 -16 2  o 90.76366 39.99200 -1.604416      4.328290  2.479822       4.436821  -22.53934      65.61685 
1 1 1 -17 -16 3  o 85.08842 39.91332 -1.915743      6.640143  -1.932777      4.569929  15.64651       67.74045 
1 1 1 -17 -15 1  o 84.65487 38.71306 -3.285198      4.486389  1.429921       4.622140  -23.32887      64.85493 
1 1 1 -17 -15 2  f 86.69263 39.08798 -1.797985      4.484185  0.7751809      4.404140  -11.97546      64.78426 
1 1 1 -17 -15 3  o 187.3886 42.68319 12.50819       5.088870  7.218872       4.642370  47.09047       78.19965 
1 1 1 -17 -15 4  f 292.4873 29.58871 24.39506       5.405789  17.78626       5.190187  53.00922       65.00523 
1 1 1 -17 -14 1  o 141.0613 45.23849 2.072953       4.429221  8.742552       4.537441  -56.67861      73.26163 
1 1 1 -17 -14 2  o 132.0402 45.27315 3.750473       4.438708  5.621550       4.502476  -15.06324      74.01347 
1 1 1 -17 -14 3  o 118.8797 45.15402 1.895448       4.700276  4.824649       4.492626  -19.35673      72.68142 
1 1 1 -17 -14 4  o 121.4376 45.77730 -1.377925      4.584462  9.575714       4.824122  -77.20306      71.60316 
1 1 1 -17 -14 5  o 78.03671 36.73021 -4.389880      4.543644  0.2771396      4.608911  -19.38292      62.11753 
1 1 1 -17 -13 1  o 159.1620 53.32340 4.351027       6.561257  9.193888       5.890387  -31.83913      86.51601 
1 1 1 -17 -13 2  o 217.2289 53.73130 13.54172       5.091035  0.000000       0.000000  ?              ?        
1 1 1 -17 -13 3  o 97.74985 41.93933 5.399190       4.606198  -3.247220      4.510965  50.52488       68.43050 
1 1 1 -17 -13 4  o 228.5612 35.60173 17.35746       4.994037  9.381678       4.779622  76.32745       72.75261 
1 1 1 -17 -13 5  o 103.9432 42.44654 1.469921       4.213337  2.764440       4.457744  -9.736702      68.63876 
1 1 1 -17 -13 6  o 132.1255 52.09028 0.000000       0.000000  4.939033       4.443975  ?              ?        
1 1 1 -17 -12 1  o 207.2746 39.27667 9.976745       4.793839  11.54485       4.939982  -14.90030      77.00168 
1 1 1 -17 -12 2  o 105.0128 46.31327 -0.6436691     6.014782  1.280882       5.770686  -6.993362      75.95947 
1 1 1 -17 -12 3  o 98.41544 44.68737 -7.239183      5.852969  6.260124       6.012055  -58.82457      74.90292 
1 1 1 -17 -12 4  o 81.42960 37.62303 0.4836609      4.400697  -3.458241      4.513127  16.70412       63.18660 
1 1 1 -17 -12 5  o 160.7125 44.85415 6.585415       4.428726  7.976896       4.887253  -11.20726      77.51828 
1 1 1 -17 -12 6  o 117.4185 46.76004 2.901431       5.936159  3.513230       4.557320  2.143730       75.29961 
1 1 1 -17 -12 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -17 -11 1  o 106.7437 46.14658 0.6996834      5.704219  0.8226705      5.499842  0.9656601      75.77055 
1 1 1 -17 -11 2  o 289.7914 37.79625 24.05706       6.658683  17.21803       6.606894  56.28723       81.14269 
1 1 1 -17 -11 3  o 104.5744 45.85572 1.431833       5.677581  -0.3504080     5.717309  8.128586       75.13007 
1 1 1 -17 -11 4  o 178.6625 52.89077 12.64755       6.354848  6.131729       6.198834  47.44968       88.20325 
1 1 1 -17 -11 5  o 157.2353 43.87593 5.344119       4.251247  8.430556       4.659316  -27.90163      75.60075 
1 1 1 -17 -11 6  o 129.9306 45.55934 1.278397       4.387523  8.529408       4.706174  -56.29125      72.92774 
1 1 1 -17 -11 7  o 135.5759 50.82023 5.334017       4.083245  0.000000       0.000000  ?              ?        
1 1 1 -17 -10 1  o 286.7965 25.84831 16.46664       4.497222  21.54393       4.603162  -41.59946      54.43900 
1 1 1 -17 -10 2  o 389.2758 33.24811 30.99320       7.838730  41.61074       8.069970  -64.37491      71.72678 
1 1 1 -17 -10 3  o 294.0243 36.85419 22.10235       6.556267  20.21799       6.592979  15.99512       79.47350 
1 1 1 -17 -10 4  o 237.3038 44.33836 12.41224       6.121635  17.43594       6.466251  -41.04086      87.67029 
1 1 1 -17 -10 5  o 146.7406 52.65273 3.389519       6.168855  8.800176       6.018606  -33.70642      84.25669 
1 1 1 -17 -10 6  o 72.94345 34.46521 -2.826383      3.985244  -1.876065      4.225284  -6.721405      58.81304 
1 1 1 -17 -10 7  o 85.26338 38.06296 -2.054000      4.046024  1.993036       4.155986  -22.54819      62.94430 
1 1 1 -17 -10 8  o 148.4615 45.19960 8.440849       4.509068  4.263105       4.562568  35.56759       74.85300 
1 1 1 -17 -9  1  o 186.6894 36.64746 4.467982       3.996920  12.81395       4.195203  -87.85954      66.86359 
1 1 1 -17 -9  2  o 422.5399 21.31798 44.21099       5.793558  37.27556       5.369773  35.96680       43.55377 
1 1 1 -17 -9  3  o 138.6317 50.82015 8.781026       5.794274  0.8803023      5.641105  53.14681       81.54783 
1 1 1 -17 -9  4  o 245.7746 42.26445 14.68801       5.919878  16.37927       6.550569  -9.319031      86.33035 
1 1 1 -17 -9  5  o 118.5184 48.90142 5.675304       5.875647  -0.2174555     5.774014  31.98732       78.79071 
1 1 1 -17 -9  6  o 137.5263 52.02180 2.718361       6.014366  7.831847       6.150644  -30.28873      83.05636 
1 1 1 -17 -9  7  o 74.48418 34.71424 0.3431425      3.867031  -3.709073      3.977760  17.67365       58.68538 
1 1 1 -17 -9  8  o 69.22066 33.06642 -2.516402      3.737843  -3.028117      4.288188  -4.003899      56.61808 
1 1 1 -17 -8  1  o 244.8151 29.29496 11.78640       4.417713  15.86869       4.305701  -40.54520      62.03049 
1 1 1 -17 -8  2  o 353.5812 22.57322 26.71564       4.949277  29.95181       4.901497  -21.69415      46.38383 
1 1 1 -17 -8  3  o 298.4764 26.03640 19.41488       4.948451  21.72558       4.614014  -21.16080      55.12375 
1 1 1 -17 -8  4  f 314.2571 38.19609 25.66413       6.995136  22.67060       7.633003  30.22083       83.56653 
1 1 1 -17 -8  5  o 155.5694 51.37538 11.32398       5.731919  2.054021       5.785735  66.17543       82.03391 
1 1 1 -17 -8  6  o 292.3859 38.98246 26.59144       7.013748  17.50104       6.780868  71.85220       84.57806 
1 1 1 -17 -8  7  o 182.1828 52.76335 11.65570       6.467373  8.307442       6.153722  23.46634       89.45581 
1 1 1 -17 -8  8  o 74.66722 35.45064 -2.029337      3.811001  -3.552830      5.535439  -10.70294      60.87812 
1 1 1 -17 -8  9  o 95.45808 40.91900 1.105342       4.276287  1.363485       4.388866  -2.214264      66.20905 
1 1 1 -17 -7  1  o 381.1383 21.72659 32.11971       5.047248  33.21288       5.186591  -6.138611      44.22826 
1 1 1 -17 -7  2  o 153.3297 51.93421 0.000000       0.000000  5.826318       4.157486  ?              ?        
1 1 1 -17 -7  3  o 228.2687 31.34995 12.97004       4.452416  11.79783       4.202438  10.21999       65.63275 
1 1 1 -17 -7  4  o 81.00659 36.73051 -1.844599      4.011954  -0.1626218     3.967601  -8.448814      61.78905 
1 1 1 -17 -7  5  o 186.3530 51.29000 3.800125       5.918887  16.27581       6.332732  -96.40845      84.11594 
1 1 1 -17 -7  6  o 135.5069 50.95269 6.746069       5.860434  2.917739       5.769384  23.87787       81.86103 
1 1 1 -17 -7  7  o 235.6226 63.15125 0.000000       0.000000  18.28159       6.658991  ?              ?        
1 1 1 -17 -7  8  o 137.6927 58.17694 5.190697       6.037496  0.000000       0.000000  ?              ?        
1 1 1 -17 -7  9  o 115.1926 43.11813 3.856684       4.114654  3.020014       4.194082  5.861351       69.46081 
1 1 1 -17 -7  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -17 -6  1  o 283.8284 26.10962 20.82240       4.532912  15.78217       4.558205  42.36859       54.86247 
1 1 1 -17 -6  2  o 118.5673 42.70098 6.327311       3.984424  -0.3659515     4.038532  55.73952       68.15813 
1 1 1 -17 -6  3  o 237.7532 31.09828 14.30529       4.421808  12.21933       4.533561  21.65994       65.40305 
1 1 1 -17 -6  4  o 180.6088 39.71068 9.479608       4.223098  6.883510       4.440302  27.76559       73.59721 
1 1 1 -17 -6  5  o 414.3349 22.41217 36.63521       5.430711  42.55226       6.106423  -29.09457      46.07561 
1 1 1 -17 -6  6  o 124.2248 49.28264 6.452300       6.082212  1.153085       5.311580  34.58401       79.95677 
1 1 1 -17 -6  7  o 175.2501 63.80448 0.000000       0.000000  10.44361       6.354949  ?              ?        
1 1 1 -17 -6  8  o 121.5896 53.81430 2.252123       5.670123  0.000000       0.000000  ?              ?        
1 1 1 -17 -6  9  o 186.6472 51.78883 9.776485       6.137848  11.93138       6.278086  -15.11479      88.82496 
1 1 1 -17 -6  10 o 108.4032 42.82254 1.634931       4.153152  4.251256       4.364576  -18.25488      68.65968 
1 1 1 -17 -5  1  o 454.7290 19.64657 42.43757       5.424199  50.10159       5.639668  -38.26974      39.78271 
1 1 1 -17 -5  2  o 183.2329 37.38124 4.830658       4.086805  11.40589       4.123015  -70.05042      68.42553 
1 1 1 -17 -5  3  o 262.7555 27.86118 16.81541       4.533167  15.13080       4.413333  14.58217       58.46583 
1 1 1 -17 -5  4  o 119.6047 43.17524 4.762578       4.002813  1.599300       4.212573  24.42355       70.23244 
1 1 1 -17 -5  5  o 378.4845 22.64870 29.05864       4.978877  37.69787       5.675661  -48.74353      46.62812 
1 1 1 -17 -5  6  o 102.3418 43.49899 -5.718823      5.158528  6.473783       4.542680  -63.19673      69.30666 
1 1 1 -17 -5  7  o 108.8724 51.05194 0.000000       0.000000  -1.955076      6.149601  ?              ?        
1 1 1 -17 -5  8  o 120.7661 44.68489 2.722548       4.157531  5.244353       4.780391  -20.35062      72.53705 
1 1 1 -17 -5  9  o 145.0381 51.83846 8.629768       5.792096  4.196537       6.012531  27.49792       82.50138 
1 1 1 -17 -5  10 o 140.3312 48.11619 4.219989       5.941162  6.991548       4.467044  -19.03242      77.24685 
1 1 1 -17 -4  1  o 373.5739 21.72693 30.50585       4.989207  32.00522       5.037496  -9.162598      44.14965 
1 1 1 -17 -4  2  o 153.2137 41.18170 4.639425       4.021498  6.802220       3.974285  -22.25243      71.58971 
1 1 1 -17 -4  3  o 157.5603 41.53923 11.69222       4.265270  1.339385       3.983080  102.0667       66.49979 
1 1 1 -17 -4  4  o 234.5633 31.08455 9.638491       4.244649  16.93388       4.600189  -70.36334      64.98917 
1 1 1 -17 -4  5  o 213.2797 33.70278 12.23320       4.116586  9.695560       4.535788  30.29308       69.43310 
1 1 1 -17 -4  6  o 298.6379 25.60602 21.40782       4.496556  20.01604       4.928754  14.89841       54.34517 
1 1 1 -17 -4  7  o 229.5722 49.09336 7.875501       6.634462  22.08014       6.934747  -109.8805      87.44080 
1 1 1 -17 -4  8  o 185.2767 52.83267 10.67688       6.265128  10.26001       6.476383  4.071869       89.97214 
1 1 1 -17 -4  9  o 105.1091 43.87587 1.969636       4.196432  2.151336       5.655457  -9.079102      71.37174 
1 1 1 -17 -4  10 o 135.9834 50.93496 5.708726       5.880195  5.822071       5.719972  -0.6115570     80.62324 
1 1 1 -17 -4  11 o 81.76981 37.17296 -4.210598      3.968373  4.244662       4.288157  -44.93987      62.33100 
1 1 1 -17 -3  1  o 301.9167 24.64808 25.36673       4.703138  16.23966       4.458797  70.16995       51.70213 
1 1 1 -17 -3  2  o 372.5434 21.54665 32.87128       4.988582  29.46575       4.928185  21.03116       43.88042 
1 1 1 -17 -3  3  o 128.0681 42.49937 2.482740       3.964578  5.209519       3.914557  -24.70776      70.17904 
1 1 1 -17 -3  4  o 137.0128 42.55270 3.961573       3.921269  5.393287       4.073954  -14.20088      71.55219 
1 1 1 -17 -3  5  o 151.4514 43.13752 7.239738       4.095913  4.493427       4.417943  25.85150       73.43098 
1 1 1 -17 -3  6  o 181.2012 39.12134 9.869880       4.049414  6.494442       4.527247  37.03822       72.56538 
1 1 1 -17 -3  7  o 86.78702 38.10212 -0.1573109     3.867136  0.4222722      4.026279  -4.933777      62.95772 
1 1 1 -17 -3  8  o 107.9812 46.65136 -3.911330      5.522330  8.022165       5.929495  -60.69067      75.99903 
1 1 1 -17 -3  9  o 106.7125 44.06188 3.867753       4.090964  -0.8884985     5.819330  15.83011       70.28766 
1 1 1 -17 -3  10 o 89.69848 41.88559 -4.612488      5.664855  2.461700       5.845695  -25.86641      69.22001 
1 1 1 -17 -3  11 o 107.3673 47.07752 2.384252       5.954710  1.976061       6.054850  1.310883       74.43928 
1 1 1 -17 -2  1  o 169.5815 39.86765 13.80034       4.175788  0.3619191      4.071692  131.0198       62.46677 
1 1 1 -17 -2  2  o 123.0908 42.53880 0.5513021      3.943930  6.191886       3.954344  -50.15421      68.66271 
1 1 1 -17 -2  3  o 244.7202 28.87856 15.03269       4.318332  12.70715       4.281057  22.48514       60.65534 
1 1 1 -17 -2  4  o 325.3676 34.58943 25.12404       4.860934  0.000000       0.000000  ?              ?        
1 1 1 -17 -2  5  o 371.9806 22.36667 35.48087       5.111512  27.65499       5.163292  49.90601       46.54529 
1 1 1 -17 -2  6  o 83.98141 37.36487 -0.1219133     3.760372  -0.5798068     4.094228  -1.004601      62.21939 
1 1 1 -17 -2  7  o 324.9253 24.01858 25.72050       4.748333  23.35851       4.867706  18.41754       50.32829 
1 1 1 -17 -2  8  o 137.3924 50.69684 10.45852       6.032494  1.248779       5.423434  59.30308       80.99065 
1 1 1 -17 -2  9  o 105.7792 46.88913 9.929285       6.122741  -7.291089      6.098969  74.58511       76.16944 
1 1 1 -17 -2  10 o 87.00394 39.83452 -0.5746115     4.197330  -0.3066291     5.908978  -13.00440      66.25631 
1 1 1 -17 -2  11 o 94.23195 43.20786 2.086500       5.843827  -1.867876      5.607461  15.83590       69.97554 
1 1 1 -17 -1  1  o 403.8839 20.67536 33.67932       5.015307  39.51054       5.323937  -32.46463      41.90185 
1 1 1 -17 -1  2  o 303.2010 24.14579 20.26227       4.396810  21.35495       4.619210  -7.501495      49.62403 
1 1 1 -17 -1  3  o 395.6845 20.71170 38.65665       5.200076  32.04733       4.941812  37.72736       42.16945 
1 1 1 -17 -1  4  o 181.7638 38.31089 6.784312       4.154023  9.516603       4.213039  -29.15347      71.85417 
1 1 1 -17 -1  5  o 188.5672 36.85676 11.56907       4.117185  5.931423       4.197194  60.44936       69.42500 
1 1 1 -17 -1  6  o 112.8620 42.28531 1.188528       3.744045  5.147466       4.308858  -34.49123      69.11551 
1 1 1 -17 -1  7  o 117.0426 42.55819 2.921708       3.879785  3.773392       4.124786  -8.097061      69.43128 
1 1 1 -17 -1  8  o 120.0664 45.86819 0.8707900      5.757554  5.067657       4.144060  -19.24900      73.13953 
1 1 1 -17 -1  9  o 125.2116 54.89865 3.711327       5.772697  0.000000       0.000000  ?              ?        
1 1 1 -17 -1  10 o 104.8000 43.99430 5.390211       4.318674  -3.112074      5.588771  36.83601       69.09090 
1 1 1 -17 -1  11 o 184.6628 51.20873 14.60568       6.231009  8.062864       5.921660  45.18565       86.67639 
1 1 1 -17 -1  12 o 90.02216 41.66820 3.491530       5.583519  -3.716048      5.423826  26.78085       67.84892 
1 1 1 -17 0   1  o 564.5350 18.50482 74.36830       6.479571  67.36862       6.463449  28.49719       37.36760 
1 1 1 -17 0   2  o 177.5239 37.28936 8.297363       3.998451  6.847140       3.953019  16.01788       70.09066 
1 1 1 -17 0   3  o 133.1627 41.89127 4.986890       3.917397  3.604892       3.803649  13.92418       70.29204 
1 1 1 -17 0   4  o 189.8022 36.01802 7.628376       4.033381  9.944988       4.139927  -25.01085      69.93972 
1 1 1 -17 0   5  o 496.4567 19.68108 59.09109       6.070590  52.36110       6.027678  31.28693       40.13943 
1 1 1 -17 0   6  o 84.04357 37.31162 -0.2761524     3.722439  -0.1673502     4.069080  -4.262123      62.04487 
1 1 1 -17 0   7  o 137.1993 43.04620 4.467399       4.031170  5.580392       4.125805  -10.27455      71.95380 
1 1 1 -17 0   8  f 102.5196 41.44596 1.969604       4.304049  2.148550       3.888001  1.515495       67.08307 
1 1 1 -17 0   9  o 126.8356 55.59198 4.052172       5.914970  0.000000       0.000000  ?              ?        
1 1 1 -17 0   10 o 113.3980 48.11577 6.703394       5.952908  -0.6741062     5.813281  34.90295       76.41585 
1 1 1 -17 0   11 o 187.5675 50.75106 7.624104       5.909703  15.91971       6.194694  -58.40652      85.87832 
1 1 1 -17 0   12 f 76.09750 36.80966 -2.716585      5.212902  -3.616371      5.408158  1.224831       61.19040 
1 1 1 -17 1   1  o 233.9123 30.33466 7.757745       4.154541  18.19514       4.457459  -101.7874      63.15438 
1 1 1 -17 1   2  o 128.5328 42.38214 -0.5164589     3.882514  8.367431       3.957566  -81.54977      65.95964 
1 1 1 -17 1   3  o 326.8449 22.98005 20.30022       4.480151  28.67665       4.794811  -58.48254      47.53431 
1 1 1 -17 1   4  o 293.2319 25.47470 23.08725       4.743373  16.85599       4.446697  48.57809       53.40226 
1 1 1 -17 1   5  o 155.3232 42.05723 1.571608       4.034904  11.44308       4.277757  -95.15738      67.51772 
1 1 1 -17 1   6  o 93.92757 42.79087 -0.8717467     3.885291  0.000000       0.000000  ?              ?        
1 1 1 -17 1   7  o 81.53791 36.42692 -0.7031975E-01 3.650801  -0.6666913     3.884884  0.8619461      60.55291 
1 1 1 -17 1   8  o 110.7579 44.82893 0.7281852      6.278614  3.451881       4.010446  -3.248505      72.53947 
1 1 1 -17 1   9  o 116.0563 52.82359 1.868511       5.903612  0.000000       0.000000  ?              ?        
1 1 1 -17 1   10 o 118.2308 49.34790 5.731688       6.064255  1.697126       5.992100  19.01074       77.65504 
1 1 1 -17 1   11 o 88.19424 39.75646 1.782174       4.157874  -1.656443      5.204500  8.406021       63.94367 
1 1 1 -17 1   12 o 138.5635 50.47900 14.00318       5.997760  1.385531       5.316685  72.99529       78.76382 
1 1 1 -17 2   1  o 610.8972 18.49754 82.14260       6.998103  84.00710       7.005116  -7.005981      37.32452 
1 1 1 -17 2   2  o 93.71239 39.31891 1.328810       3.886640  -0.2174676E-01 3.828016  9.982994       65.15995 
1 1 1 -17 2   3  o 362.8484 21.80956 33.26577       5.094903  26.76428       4.701362  39.87463       44.58707 
1 1 1 -17 2   4  f 216.1831 32.59526 10.03670       4.322109  12.21030       4.153636  -24.36148      67.34155 
1 1 1 -17 2   5  o 179.7690 39.59043 6.296903       4.277241  10.15679       4.313632  -40.02325      72.91057 
1 1 1 -17 2   6  o 334.6581 24.06754 29.07980       5.054902  23.34598       4.875826  39.28204       50.47917 
1 1 1 -17 2   7  o 82.35481 36.97559 0.5433195      4.102310  -1.265261      3.776287  13.13165       61.67531 
1 1 1 -17 2   8  o 112.0429 47.32513 0.000000       0.000000  2.441095       3.993211  ?              ?        
1 1 1 -17 2   9  o 104.3047 46.43502 4.888994       5.917550  -2.540231      6.209572  28.28534       74.29293 
1 1 1 -17 2   10 f 100.8334 45.41088 0.6123083      6.032915  1.457763       5.923711  -2.716232      72.46423 
1 1 1 -17 2   11 o 70.57064 34.20002 -3.219013      4.214199  -3.259099      5.218316  -7.892899      57.85180 
1 1 1 -17 2   12 o 83.66264 39.63978 -1.775404      5.722920  -0.7842900     5.292472  -0.7324677     64.21120 
1 1 1 -17 3   1  o 350.7614 22.52895 27.47931       5.065106  27.88774       4.706666  -4.135071      46.15128 
1 1 1 -17 3   2  o 321.8542 23.28933 25.89721       4.729771  21.25095       4.514415  32.82404       47.89985 
1 1 1 -17 3   3  o 226.2175 31.01353 10.50647       4.347861  13.46120       4.135328  -32.21976      65.03945 
1 1 1 -17 3   4  o 290.5443 26.28139 19.75106       4.623964  19.34966       4.749644  4.250854       55.08507 
1 1 1 -17 3   5  o 285.3811 25.68786 20.44147       4.570141  17.63216       4.430792  22.47253       54.09456 
1 1 1 -17 3   6  o 187.7623 36.81968 10.32415       4.223066  7.850379       4.052545  25.48529       71.43344 
1 1 1 -17 3   7  o 220.0832 32.49899 12.89174       4.267515  11.12456       4.340473  19.63707       68.46772 
1 1 1 -17 3   8  o 114.4989 48.06393 0.000000       0.000000  2.839185       4.078490  ?              ?        
1 1 1 -17 3   9  f 114.5500 48.08377 3.969505       5.990737  2.675630       5.576172  7.305359       75.91013 
1 1 1 -17 3   10 o 92.72581 42.92982 -0.8356731     6.188585  0.1617815      5.553479  -0.1140137     69.26788 
1 1 1 -17 3   11 o 87.04330 39.92199 -0.2127250     4.457867  0.6852416      5.475771  -8.890068      64.57531 
1 1 1 -17 3   12 o 145.7862 52.35960 10.59255       6.476708  6.550788       5.658395  18.25446       81.49861 
1 1 1 -17 4   1  o 227.7821 30.46707 7.509475       4.183988  16.69642       4.210291  -93.19359      63.53976 
1 1 1 -17 4   2  o 96.27948 39.23327 -2.264312      3.733601  4.452538       3.647904  -49.09704      63.45511 
1 1 1 -17 4   3  o 158.5191 40.36897 7.603239       4.163464  5.247337       3.818312  24.62195       71.60564 
1 1 1 -17 4   4  o 128.1802 42.26964 5.403891       4.198822  3.097335       3.654907  23.28387       70.38264 
1 1 1 -17 4   5  o 273.3866 27.02010 16.32299       4.610186  18.86359       4.439461  -24.31937      57.90364 
1 1 1 -17 4   6  o 140.8253 43.21833 5.772646       4.250827  5.127858       4.029955  5.864487       72.60709 
1 1 1 -17 4   7  o 280.5854 26.86694 19.13263       4.700224  18.59229       4.542251  2.799561       57.61153 
1 1 1 -17 4   8  o 94.95299 44.79402 0.000000       0.000000  -1.812583      4.861858  ?              ?        
1 1 1 -17 4   9  o 171.2969 51.75277 4.493382       5.909667  15.26302       6.015450  -73.99737      82.99715 
1 1 1 -17 4   10 o 103.6078 46.26304 6.367759       6.450262  -1.744304      5.733694  33.53468       74.15934 
1 1 1 -17 4   11 o 103.5282 45.42561 2.994494       5.592049  2.331944       5.605783  2.630104       70.72520 
1 1 1 -17 4   12 o 144.2089 52.24282 4.851895       5.847147  12.29026       6.198516  -38.10519      80.55189 
1 1 1 -17 5   1  o 212.7458 33.49213 9.563866       4.307757  11.88769       4.241052  -25.16162      68.23590 
1 1 1 -17 5   2  o 209.0093 34.14381 8.730504       4.296283  12.21921       4.252342  -37.54054      68.94062 
1 1 1 -17 5   3  o 311.7666 24.55264 19.40940       4.762003  25.21365       4.659796  -45.16788      51.90078 
1 1 1 -17 5   4  o 228.4408 31.02194 7.708742       4.355804  17.05160       4.212824  -95.95796      65.09497 
1 1 1 -17 5   5  o 74.01219 34.45552 -0.4885886     3.987466  -2.695069      3.718257  13.65533       58.58458 
1 1 1 -17 5   6  o 352.1845 23.52663 27.15744       5.101167  30.98916       5.119534  -25.83578      49.34383 
1 1 1 -17 5   7  o 244.1624 31.44479 14.11924       4.851058  15.46690       4.475841  -18.73431      68.51894 
1 1 1 -17 5   8  o 166.0658 52.44821 7.472213       6.404577  10.33578       5.738004  -21.85805      85.35321 
1 1 1 -17 5   9  o 99.06595 43.83886 5.770812       5.784608  -1.584587      4.951078  35.56209       71.07812 
1 1 1 -17 5   10 o 73.48800 34.41130 -2.803150      4.126563  0.1036633      3.755418  -9.012817      56.94360 
1 1 1 -17 5   11 o 126.9382 49.79912 5.607842       5.990719  6.583520       5.481899  -5.642632      76.18066 
1 1 1 -17 5   12 o 179.4030 52.91022 9.140251       6.447387  15.61094       6.143115  -42.96204      85.12027 
1 1 1 -17 6   1  f 330.3781 23.86989 27.49596       4.972558  22.56201       4.752733  33.90030       49.32413 
1 1 1 -17 6   2  o 430.7305 21.04645 40.81380       5.677958  43.27698       5.537480  -14.10159      43.06776 
1 1 1 -17 6   3  o 132.1892 43.17625 5.179677       4.370551  3.879114       3.826881  13.43683       71.98475 
1 1 1 -17 6   4  o 368.3434 23.19197 29.58526       5.395623  33.02707       5.156986  -24.09320      48.39692 
1 1 1 -17 6   5  o 153.7839 42.92041 7.799412       4.394492  5.423829       4.118053  21.78239       73.94221 
1 1 1 -17 6   6  o 168.2966 41.37029 7.633774       4.500268  7.835780       4.103141  -4.177032      74.60501 
1 1 1 -17 6   7  o 120.4200 49.51647 7.517054       6.344709  0.7668180      5.611951  35.81116       79.04302 
1 1 1 -17 6   8  o 170.5771 52.93205 11.64493       6.524314  8.405897       5.891433  17.89801       86.99377 
1 1 1 -17 6   9  o 145.6392 49.21183 3.697547       4.673037  13.70867       6.205445  -59.92916      80.27926 
1 1 1 -17 6   10 o 104.6369 45.77614 5.135545       6.038892  0.6921314      5.324688  20.01794       72.09930 
1 1 1 -17 6   11 o 98.40914 44.09712 -2.843714      5.766545  6.753652       5.371466  -34.62712      68.83994 
1 1 1 -17 6   12 o 87.81780 41.13282 3.049840       5.851739  -1.684299      5.411649  15.68864       65.02731 
1 1 1 -17 7   1  o 268.1750 27.99867 14.80454       4.674145  18.70710       4.508665  -36.64032      60.02915 
1 1 1 -17 7   2  o 209.2643 34.75229 8.569870       4.331868  12.95527       4.374559  -46.09816      69.99717 
1 1 1 -17 7   3  o 202.4769 36.29974 13.54011       4.641809  7.643969       4.178247  58.23477       71.30104 
1 1 1 -17 7   4  o 128.0238 43.02795 4.071191       4.100299  4.698196       3.974450  -5.083122      70.71261 
1 1 1 -17 7   5  o 272.5327 29.49368 18.41311       5.323873  18.06043       4.574493  -7.442902      65.17450 
1 1 1 -17 7   6  o 110.6987 48.09510 -1.695751      6.117894  5.851246       6.170029  -33.15565      77.05733 
1 1 1 -17 7   7  o 171.9921 52.50084 10.34048       6.430048  9.292509       5.840264  3.956787       86.90741 
1 1 1 -17 7   8  o 99.89531 44.68984 9.291849       6.254043  -4.084964      5.245563  59.74890       73.81371 
1 1 1 -17 7   9  o 94.90496 43.51449 3.536418       6.416543  -0.9222031     5.336747  19.07213       69.65230 
1 1 1 -17 7   10 o 99.39275 44.77024 2.115615       6.173288  1.850855       5.509411  2.755249       69.94143 
1 1 1 -17 7   11 o 122.8541 49.86962 5.803098       6.299483  6.648374       5.627030  -4.916222      75.02197 
1 1 1 -17 7   12 o 92.41664 40.35127 2.030627       4.356152  2.551641       4.384335  -2.449715      62.60324 
1 1 1 -17 8   1  o 251.8146 29.06781 15.50464       4.480349  14.60572       4.434637  8.219666       61.91936 
1 1 1 -17 8   2  o 295.7705 26.19920 16.82458       4.741502  24.33189       4.772987  -61.30275      56.72073 
1 1 1 -17 8   3  o 211.6523 34.28001 6.745990       4.245775  16.26347       4.455595  -95.82997      67.62554 
1 1 1 -17 8   4  o 142.9386 51.82535 4.892433       5.954003  7.519897       5.888537  -16.04335      82.68150 
1 1 1 -17 8   5  o 171.6131 52.63668 14.91853       6.880281  5.572868       5.590802  60.01830       87.62435 
1 1 1 -17 8   6  o 115.4151 48.49971 4.158130       6.289530  2.496465       5.545605  10.04037       76.88096 
1 1 1 -17 8   7  o 225.3544 40.98908 11.41716       4.941354  19.47946       6.361844  -49.95152      83.98301 
1 1 1 -17 8   8  o 98.16203 44.42356 1.550329       5.993337  1.270039       5.628110  2.294205       70.05800 
1 1 1 -17 8   9  o 140.0498 51.52975 7.757292       6.145779  7.538935       5.655890  -0.6033478     79.47643 
1 1 1 -17 8   10 o 153.8893 53.45961 8.914602       6.533819  10.86085       5.983727  -13.73602      81.99841 
1 1 1 -17 8   11 o 71.82696 34.34221 -6.327319      4.536234  2.612698       4.129930  -27.18060      56.67128 
1 1 1 -17 8   12 o 70.91320 33.80726 1.688615       4.455438  -3.098694      3.853621  19.85677       55.64359 
1 1 1 -17 9   1  o 136.7382 44.06087 8.660832       4.369920  1.748922       4.136713  60.42152       71.15954 
1 1 1 -17 9   2  f 169.7283 51.76303 4.559590       5.842218  13.09676       6.053521  -61.61917      84.58549 
1 1 1 -17 9   3  o 108.7613 46.77818 4.426163       5.969439  0.2161663E-01  5.457778  23.08521       75.29539 
1 1 1 -17 9   4  o 153.6347 52.74726 6.860753       6.573892  8.041600       5.664393  -8.751526      84.72057 
1 1 1 -17 9   5  o 216.3840 50.00402 14.19639       6.952035  14.34462       6.257135  -8.822556      92.29403 
1 1 1 -17 9   6  o 111.0145 43.23732 4.749948       4.552586  2.303212       4.061074  17.38632       69.08965 
1 1 1 -17 9   7  o 105.0266 46.33623 4.351084       6.336842  1.025270       5.542363  15.05244       72.93918 
1 1 1 -17 9   8  o 131.2483 51.80653 4.474525       6.631685  8.800461       5.881845  -20.94606      78.38958 
1 1 1 -17 9   9  o 112.5214 48.51195 1.952737       6.589240  6.307899       5.796525  -15.90754      73.74065 
1 1 1 -17 9   10 o 86.05446 39.92853 -1.212913      4.555107  4.150253       5.898141  -21.74995      63.95858 
1 1 1 -17 9   11 o 77.46787 35.85180 -0.7915297     4.221346  1.151661       3.935345  -6.211929      56.99143 
1 1 1 -17 9   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -17 10  1  o 97.14684 43.99108 3.095610       5.987873  -2.570625      5.450225  26.53065       72.36152 
1 1 1 -17 10  2  o 80.67343 38.54721 -0.4431402     5.529627  -5.406529      5.321529  17.90786       65.15354 
1 1 1 -17 10  3  o 92.30672 41.58537 1.924693       4.635878  -2.436098      5.513045  12.77922       67.52583 
1 1 1 -17 10  4  o 77.73269 37.05143 1.311941       4.442309  -8.926532      5.672586  23.51403       61.99532 
1 1 1 -17 10  5  o 96.81408 44.08540 -1.718845      5.960004  2.726140       5.696046  -15.06545      70.56900 
1 1 1 -17 10  6  o 145.5328 52.17599 6.776880       6.187158  8.679020       5.794452  -11.96338      81.41711 
1 1 1 -17 10  7  o 115.8110 48.68782 11.37861       6.466258  -0.1992796     5.512212  50.49661       76.43373 
1 1 1 -17 10  8  o 72.23285 34.30819 1.272153       4.588453  -3.262204      3.841691  21.78517       57.42493 
1 1 1 -17 10  9  f 78.01485 36.62365 -0.8729631     6.019554  -0.2744173     3.745510  9.324707       59.77423 
1 1 1 -17 10  10 o 107.6985 47.37435 4.944626       4.330742  0.000000       0.000000  ?              ?        
1 1 1 -17 10  11 o 73.14297 34.26443 2.326595       4.350709  -1.706863      3.567724  19.02225       55.59778 
1 1 1 -17 11  1  o 131.5918 49.32542 4.614239       4.902472  5.936846       6.204120  -9.324707      79.12318 
1 1 1 -17 11  2  o 104.3713 46.17636 5.959217       6.213747  -2.290140      5.627177  37.65269       74.91067 
1 1 1 -17 11  3  o 115.7605 48.35332 1.725225       5.886859  5.147046       5.705017  -15.76973      76.03202 
1 1 1 -17 11  4  o 104.2992 45.68312 2.276395       5.807265  2.104846       5.486768  1.826797       72.07619 
1 1 1 -17 11  5  o 118.8420 49.43134 2.921015       5.982010  6.437971       6.054299  -15.56313      76.30245 
1 1 1 -17 11  6  o 112.6493 42.91912 5.734277       4.436536  2.765071       3.925176  19.58764       67.87054 
1 1 1 -17 11  7  f 138.5970 44.39688 7.508938       4.550679  6.012118       4.117774  8.637978       72.02230 
1 1 1 -17 11  8  o 118.6718 44.07707 3.705155       4.567348  6.115712       4.116002  -16.28874      68.41630 
1 1 1 -17 11  9  o 76.02206 36.39605 0.7846522      7.074303  -1.379557      3.958803  16.69962       59.88582 
1 1 1 -17 11  10 o 86.90594 40.09946 3.347710       4.519114  -1.188751      5.787421  11.26962       61.56512 
1 1 1 -17 11  11 o 68.30596 32.73679 -0.9350561     4.190525  -0.9456761     3.791083  2.156441       52.55294 
1 1 1 -17 12  1  o 138.8388 52.50482 9.258098       6.869471  4.503867       5.685054  24.53656       83.13137 
1 1 1 -17 12  2  o 142.1489 52.29210 12.73804       6.370817  2.382857       5.791616  57.57635       81.99576 
1 1 1 -17 12  3  o 78.54433 36.61238 -0.2968625     4.646445  -1.417704      4.128436  8.309647       60.27969 
1 1 1 -17 12  4  o 97.13016 41.17572 1.008412       4.477590  3.219445       4.143513  -10.54433      64.95881 
1 1 1 -17 12  5  o 86.89806 38.62180 1.346445       4.352587  0.9191108      4.014709  3.656799       61.43803 
1 1 1 -17 12  6  o 147.2544 44.96420 6.568124       4.619216  8.560211       4.360185  -17.39913      73.39167 
1 1 1 -17 12  7  f 134.9607 45.12968 8.389515       4.703614  5.219624       4.216891  19.51785       72.01367 
1 1 1 -17 12  8  o 114.8201 44.12422 6.058364       4.626467  4.503345       4.237666  7.642540       67.53607 
1 1 1 -17 12  9  o 81.42983 38.87664 0.000000       0.000000  0.1875028      3.883222  ?              ?        
1 1 1 -17 12  10 o 76.29214 36.40819 0.2540604      4.167296  -0.4087953     5.870256  -3.439102      57.09236 
1 1 1 -17 13  1  o 117.0730 45.01475 3.684633       5.079258  4.644365       4.236907  -5.160515      70.90041 
1 1 1 -17 13  2  o 72.23540 34.56653 0.1292678      4.643581  -3.988819      4.182990  17.90452       58.09034 
1 1 1 -17 13  3  o 91.72385 40.15545 -0.5399768     4.532666  3.467666       4.193340  -17.85233      63.42533 
1 1 1 -17 13  4  o 98.21672 41.40157 5.159797       4.707460  0.9815737      3.995448  23.37047       65.37646 
1 1 1 -17 13  5  o 79.23029 36.40794 1.281762       4.300170  -0.5975148     3.912845  9.898872       58.42768 
1 1 1 -17 13  6  o 86.81466 38.66392 2.277086       4.424913  0.7850212      4.013961  8.203278       60.88994 
1 1 1 -17 13  7  o 86.25505 38.77045 -1.993062      4.526021  4.875208       4.163613  -27.28389      60.40885 
1 1 1 -17 13  8  o 94.82412 40.73552 0.4663607      4.504950  5.523197       4.138581  -22.87194      61.95706 
1 1 1 -17 13  9  f 64.06051 31.83701 -3.183223      7.258967  -3.922500      3.952555  15.09328       53.47956 
1 1 1 -17 13  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -17 14  1  o 107.1228 44.00773 4.184678       5.000094  3.167546       4.431158  5.905945       68.50132 
1 1 1 -17 14  2  o 178.4361 44.76276 8.489932       5.242220  12.37193       4.694343  -38.88054      77.81342 
1 1 1 -17 14  3  o 76.90892 36.15150 2.473970       4.761472  -2.835708      4.121584  22.83430       59.31416 
1 1 1 -17 14  4  o 73.46968 34.96632 -0.7250388     4.601618  -1.561447      4.172024  5.386421       56.85704 
1 1 1 -17 14  5  o 95.41138 41.49630 3.491230       4.824916  2.127570       4.374947  6.674538       64.02187 
1 1 1 -17 14  6  o 68.68501 33.09979 -3.156213      4.521955  -0.9039009E-01 3.929475  -5.846695      53.44565 
1 1 1 -17 14  7  o 72.15692 35.44053 0.000000       0.000000  -2.214905      3.874759  ?              ?        
1 1 1 -17 14  8  o 62.38539 30.72208 -3.088384      4.432450  -2.395019      4.012887  0.6938400      50.13972 
1 1 1 -17 14  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -17 15  1  f 79.37663 36.72367 4.372424       4.806393  -2.799188      3.875061  34.09341       60.98980 
1 1 1 -17 15  2  o 94.10602 40.87109 4.473711       4.780079  0.7669770      4.152647  18.75147       64.15620 
1 1 1 -17 15  3  o 97.31342 41.84943 2.340233       4.834026  3.539307       4.324850  -4.819885      64.26578 
1 1 1 -17 15  4  o 78.21883 36.56575 6.457841       4.766032  -4.205925      4.114614  41.72638       60.30288 
1 1 1 -17 15  5  o 67.50347 32.81370 -1.010132      4.832006  -2.359437      3.996311  7.994331       53.33412 
1 1 1 -17 15  6  o 111.7250 44.05215 5.482310       4.889594  5.566213       4.183048  -3.158028      65.87122 
1 1 1 -17 15  7  o 106.7137 43.97990 10.35806       5.236308  2.250152       4.306152  32.09800       66.18909 
1 1 1 -17 15  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -17 16  1  o 69.39983 33.75765 -6.713463      4.725874  2.080281       4.539380  -23.05085      55.71180 
1 1 1 -17 16  2  o 71.47449 34.34711 -0.4126959     4.646453  -1.684988      4.264147  5.618492       55.14515 
1 1 1 -17 16  3  o 77.53558 36.44327 -0.2454509     4.726477  0.8481418      4.263230  -1.885254      57.08538 
1 1 1 -17 16  4  o 76.75906 36.10554 3.747677       4.809612  -1.994988      4.094254  21.18126       57.55527 
1 1 1 -17 16  5  o 75.48723 35.97393 3.032486       5.023550  -1.877660      4.361946  15.80985       56.65758 
1 1 1 -17 16  6  o 66.79527 32.69651 -2.222831      4.815629  -1.078797      4.313477  -0.6403732     51.92955 
1 1 1 -17 17  1  o 93.50058 41.29345 4.606970       4.936851  1.905674       4.489039  10.67751       62.67467 
1 1 1 -17 17  2  o 83.95178 38.58741 3.327969       4.905958  0.5992441      4.347601  10.22733       59.30906 
1 1 1 -17 17  3  o 92.82765 40.98314 4.939677       4.942405  2.446769       4.358720  9.022522       61.39630 
1 1 1 -17 17  4  f 86.71944 39.51736 2.184402       4.947323  3.294477       4.469049  -3.481819      59.10594 
1 1 1 -16 -19 1  o 127.1303 49.54650 2.249879       5.656362  6.852899       5.605585  -26.04086      78.42175 
1 1 1 -16 -18 1  o 149.2987 50.22362 14.08547       5.789207  0.6867628      5.247731  94.24655       78.37208 
1 1 1 -16 -18 2  o 123.4225 48.23769 3.077594       5.366340  5.054167       5.332783  -11.54594      76.82749 
1 1 1 -16 -17 1  o 132.8391 48.50409 4.080296       5.220455  5.455195       5.178179  -9.187119      78.24211 
1 1 1 -16 -17 2  o 142.2625 49.11765 12.01857       5.396085  0.4046319      5.142292  82.27485       76.70305 
1 1 1 -16 -17 3  o 127.5590 48.31759 3.593660       5.212245  5.376982       5.289338  -11.39175      77.28423 
1 1 1 -16 -16 1  o 82.83717 38.23193 -1.387531      4.477327  -1.394538      4.696990  -2.069611      64.01282 
1 1 1 -16 -16 2  o 169.7340 45.99273 10.15321       5.007076  5.926839       4.918258  37.04884       79.26346 
1 1 1 -16 -16 3  o 96.32673 42.35154 0.9301100      4.947175  0.3635778      4.833343  3.612190       68.98833 
1 1 1 -16 -16 4  o 104.8926 44.24193 2.405285       4.946110  1.334139       4.902190  6.087852       71.29176 
1 1 1 -16 -15 1  o 93.60455 40.86941 2.919997       4.453115  -2.323071      4.513505  28.51260       67.29388 
1 1 1 -16 -15 2  o 275.8020 28.88481 18.30084       4.883453  18.20236       4.853811  0.5355835      62.07507 
1 1 1 -16 -15 3  o 205.8273 37.69821 10.34260       4.600703  11.37398       4.672014  -10.00368      75.21020 
1 1 1 -16 -15 4  o 206.7988 44.28088 16.42366       6.873560  9.586353       4.728220  40.05795       86.26581 
1 1 1 -16 -15 5  o 107.3478 47.83837 0.9955446      4.558608  0.000000       0.000000  ?              ?        
1 1 1 -16 -14 1  o 186.0216 51.46076 12.09361       6.239385  7.067534       6.042439  39.37605       88.29453 
1 1 1 -16 -14 2  o 99.42259 44.86133 2.302130       6.161205  -2.838880      5.609390  26.19133       74.70346 
1 1 1 -16 -14 3  o 149.8078 45.49035 4.513153       4.574778  7.843548       4.621953  -28.84726      76.06106 
1 1 1 -16 -14 4  o 96.53715 41.29485 0.7045032      4.485361  1.187303       4.308937  -1.364693      67.44126 
1 1 1 -16 -14 5  o 170.8721 43.33026 8.332540       4.656547  7.817541       4.542922  4.317276       77.24853 
1 1 1 -16 -14 6  o 195.9759 53.02084 0.000000       0.000000  11.75545       4.667302  ?              ?        
1 1 1 -16 -13 1  o 207.3135 54.43511 16.43185       7.067852  7.238525       7.109300  68.46063       93.11670 
1 1 1 -16 -13 2  f 199.5785 39.54337 10.74566       4.833477  9.382377       4.618713  12.62248       76.51496 
1 1 1 -16 -13 3  o 204.3303 49.23731 15.94679       6.528477  7.845325       5.859250  63.73543       87.82065 
1 1 1 -16 -13 4  o 157.1540 45.92332 6.385794       4.783881  7.248138       4.730441  -7.589050      78.09531 
1 1 1 -16 -13 5  o 102.0383 42.23160 3.490068       4.429179  -0.2923778E-01 4.297700  23.06296       68.62237 
1 1 1 -16 -13 6  o 111.1773 46.06287 -2.486268      6.362586  4.903406       4.501450  -26.89739      72.91776 
1 1 1 -16 -13 7  o 102.0369 42.35038 3.192519       4.449649  0.6189386      4.359293  16.14677       68.37677 
1 1 1 -16 -12 1  o 199.3335 40.03126 7.652233       4.924097  11.90565       4.643844  -43.70242      75.88962 
1 1 1 -16 -12 2  o 166.8895 55.99871 3.102833       6.581976  12.93616       7.122137  -65.30882      90.64138 
1 1 1 -16 -12 3  o 121.3531 48.23685 5.167013       4.645379  -1.790848      6.822841  24.63443       77.18185 
1 1 1 -16 -12 4  o 105.4704 46.56730 6.831181       6.137219  -5.242282      5.814975  58.40900       77.02431 
1 1 1 -16 -12 5  o 119.1303 49.46711 5.409216       6.336769  0.6575089      5.732515  27.10475       79.88535 
1 1 1 -16 -12 6  o 66.11437 32.20366 -4.883938      4.065061  -3.769799      4.470341  -8.454514      56.36038 
1 1 1 -16 -12 7  o 129.6846 44.14412 6.150616       4.193919  2.955955       4.305327  25.82980       71.75504 
1 1 1 -16 -12 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -16 -11 1  o 565.2682 19.18729 71.21203       6.793049  71.90720       6.645819  -3.375916      38.86830 
1 1 1 -16 -11 2  o 299.9034 26.24068 20.29914       4.979162  21.22789       4.698246  -9.426239      55.06660 
1 1 1 -16 -11 3  o 111.7840 48.43596 0.9200754      5.993697  0.8448593      6.422224  -2.693558      79.41201 
1 1 1 -16 -11 4  o 207.5356 53.39303 15.51913       6.796077  8.287887       7.036233  55.59064       92.65146 
1 1 1 -16 -11 5  o 124.9637 50.35774 2.692810       6.062191  4.085721       5.943941  -7.046875      80.93945 
1 1 1 -16 -11 6  f 109.6960 47.20554 2.723471       5.803664  0.4279118      5.810238  10.94610       76.35292 
1 1 1 -16 -11 7  o 93.31349 40.33848 -0.7552449E-01 4.188881  1.714389       4.373135  -11.63361      65.93690 
1 1 1 -16 -11 8  o 81.49799 36.99420 -2.132038      3.917262  1.140519       4.221230  -19.50513      61.78670 
1 1 1 -16 -10 1  o 182.5821 37.59579 6.381095       4.028002  9.870473       4.210402  -37.50706      70.61189 
1 1 1 -16 -10 2  o 100.3131 40.49312 4.997521       3.998858  -1.800240      3.786330  52.79704       65.86456 
1 1 1 -16 -10 3  o 204.5984 35.17532 10.03080       4.316582  10.35558       4.290413  -3.664795      70.72478 
1 1 1 -16 -10 4  o 162.6969 51.97684 7.187485       5.769353  7.069825       6.086071  0.5144196      86.48361 
1 1 1 -16 -10 5  o 315.5155 35.79095 22.71736       6.692439  26.34638       7.087382  -23.81049      77.85892 
1 1 1 -16 -10 6  o 163.9608 52.65694 6.272408       5.948062  9.497444       6.202801  -22.58141      86.83459 
1 1 1 -16 -10 7  o 293.7792 37.91124 24.78278       6.780685  19.15794       6.715658  45.94006       82.97486 
1 1 1 -16 -10 8  o 152.7480 44.28586 8.029561       4.245564  4.819748       4.662314  29.30428       74.52346 
1 1 1 -16 -10 9  o 179.4456 41.08382 5.610587       4.223229  12.90910       4.776349  -67.72301      73.85036 
1 1 1 -16 -9  1  o 257.1534 27.37755 11.70928       4.200790  18.86047       4.406885  -65.10899      58.04514 
1 1 1 -16 -9  2  o 257.0999 28.03544 11.31053       4.274526  19.62552       4.534715  -75.51765      59.79607 
1 1 1 -16 -9  3  o 449.7134 20.20740 47.01693       5.716932  44.14149       5.533144  14.03757       41.08633 
1 1 1 -16 -9  4  o 93.36288 39.64096 -1.009925      3.824094  2.700466       4.195346  -27.83164      65.70183 
1 1 1 -16 -9  5  f 135.8335 50.70846 4.279305       5.316334  4.729365       6.276924  -6.845856      82.56349 
1 1 1 -16 -9  6  o 111.3334 46.82948 -3.443110      5.214549  8.417776       5.820627  -69.74707      76.44536 
1 1 1 -16 -9  7  f 225.8674 42.65947 10.74216       5.041155  18.84527       6.905011  -53.49994      85.66404 
1 1 1 -16 -9  8  o 173.1569 52.60245 10.62815       6.187312  7.383134       6.108428  23.19632       87.71601 
1 1 1 -16 -9  9  o 80.76019 36.70219 0.1437111      3.933311  -1.500562      4.094156  6.692078       60.90193 
1 1 1 -16 -9  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -16 -8  1  o 466.4923 19.67342 45.67534       5.630603  51.41493       5.731154  -28.11487      39.80688 
1 1 1 -16 -8  2  o 320.2096 23.53967 23.00666       4.740791  23.30531       4.551149  -3.008240      48.31645 
1 1 1 -16 -8  3  o 187.4675 38.23561 10.72508       4.356608  6.493104       4.237037  44.52850       71.81058 
1 1 1 -16 -8  4  f 279.6903 26.49328 16.96405       4.472658  19.31468       4.614096  -19.11847      55.56477 
1 1 1 -16 -8  5  o 84.09538 37.32864 -4.777651      3.650481  5.338905       4.174392  -69.28223      63.36783 
1 1 1 -16 -8  6  f 135.7285 49.51268 5.969922       5.222495  3.137149       5.632297  17.59441       80.06451 
1 1 1 -16 -8  7  o 151.4996 52.27784 7.692098       5.867343  5.301176       6.064612  15.77338       84.80799 
1 1 1 -16 -8  8  o 94.17671 43.30970 -1.078971      4.106320  0.000000       0.000000  ?              ?        
1 1 1 -16 -8  9  o 134.9736 51.92238 9.982924       6.183949  0.7256979      6.065304  52.11213       81.89979 
1 1 1 -16 -8  10 o 141.8214 43.66884 4.964562       4.117748  6.606449       4.326662  -14.20981      73.02187 
1 1 1 -16 -7  1  f 232.9858 30.50002 15.42083       4.413264  9.782917       4.199311  55.70496       63.28296 
1 1 1 -16 -7  2  o 335.0130 23.06266 25.54719       4.829857  24.97300       4.699874  3.510712       47.10691 
1 1 1 -16 -7  3  o 331.3372 23.42629 24.34058       4.804567  25.32299       4.763472  -7.139038      48.04261 
1 1 1 -16 -7  4  o 210.4228 33.99504 6.267424       4.235332  15.08333       4.338828  -90.82616      66.77560 
1 1 1 -16 -7  5  o 153.7212 41.17439 7.244788       4.050093  4.894954       3.960992  23.99559       71.70711 
1 1 1 -16 -7  6  o 136.9838 43.33833 7.808553       4.102271  1.717748       4.148218  54.79875       70.24782 
1 1 1 -16 -7  7  o 179.3227 61.01669 0.000000       0.000000  9.964976       5.739437  ?              ?        
1 1 1 -16 -7  8  o 186.0158 51.51462 8.139101       5.970333  12.45858       6.341939  -31.53690      88.54955 
1 1 1 -16 -7  9  o 174.5997 46.68026 11.64252       4.534374  3.173118       6.122995  70.12682       76.45625 
1 1 1 -16 -7  10 o 92.90729 42.73744 -2.078416      5.447280  0.8398160      5.899925  -14.17411      70.35658 
1 1 1 -16 -7  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -16 -6  1  o 333.8619 23.41823 26.04721       4.842747  23.91869       4.795974  14.71768       47.76448 
1 1 1 -16 -6  2  o 270.4161 26.66541 19.68942       4.438953  13.57521       4.391111  53.59471       56.33442 
1 1 1 -16 -6  3  o 279.9440 26.16024 19.06817       4.538583  16.68642       4.443429  19.71625       54.34467 
1 1 1 -16 -6  4  o 267.4392 27.06387 12.13318       4.162983  22.06597       4.751349  -84.22430      57.40726 
1 1 1 -16 -6  5  o 265.5889 32.09462 12.50520       4.294761  28.01878       7.017366  -107.8181      68.07341 
1 1 1 -16 -6  6  o 166.1890 51.77401 0.000000       0.000000  7.544753       4.178770  ?              ?        
1 1 1 -16 -6  7  f 248.7834 35.06074 9.904735       6.700728  17.59346       4.472579  -86.05434      76.60222 
1 1 1 -16 -6  8  o 279.5887 39.79914 22.43929       7.098209  18.27997       6.375544  25.74086       85.99245 
1 1 1 -16 -6  9  o 90.20287 41.98178 -2.538108      5.812629  -0.8125927     5.600246  -4.748077      69.65527 
1 1 1 -16 -6  10 o 103.6317 46.01768 2.512548       5.875262  -0.4563610     5.948339  11.98100       74.09133 
1 1 1 -16 -6  11 o 108.0481 47.00779 3.245534       6.029255  0.8563474      5.752324  11.61922       75.04399 
1 1 1 -16 -5  1  o 250.1245 28.80333 15.54448       4.457738  12.96286       4.320572  23.90836       59.85458 
1 1 1 -16 -5  2  o 312.6896 23.93727 22.11700       4.646061  21.84943       4.570392  1.733704       48.97720 
1 1 1 -16 -5  3  o 412.2630 20.15979 41.46898       5.191575  34.63790       5.089808  38.03104       40.97266 
1 1 1 -16 -5  4  o 309.9339 24.23085 22.80771       4.566939  20.76978       4.678232  16.06805       50.07021 
1 1 1 -16 -5  5  o 222.2323 31.96620 12.52601       4.145146  10.73570       4.429129  20.71259       66.58461 
1 1 1 -16 -5  6  o 284.3058 26.34383 17.25488       4.320885  20.86441       4.924433  -25.43076      55.41658 
1 1 1 -16 -5  7  o 153.7998 42.35534 6.330462       4.091344  5.982903       4.251137  3.461105       73.50716 
1 1 1 -16 -5  8  o 131.2091 46.34018 4.993146       4.029884  3.507782       5.881854  4.417007       76.04578 
1 1 1 -16 -5  9  o 103.1063 45.49520 5.318186       6.001896  -2.750091      5.421231  40.29378       74.75038 
1 1 1 -16 -5  10 o 142.6739 51.40123 9.459523       5.945280  3.005376       5.688969  40.86150       82.04488 
1 1 1 -16 -5  11 o 107.4016 46.40089 -0.9884132     5.459445  5.453551       5.870615  -31.82573      74.66648 
1 1 1 -16 -4  1  o 66.93607 32.37646 -4.983012      4.059633  -4.040830      4.151933  -5.098923      57.63240 
1 1 1 -16 -4  2  o 318.3369 23.69971 27.17194       4.817758  18.89707       4.492165  59.54800       48.86543 
1 1 1 -16 -4  3  o 390.6977 21.01288 34.44411       5.117832  33.84966       5.031080  3.254547       42.63457 
1 1 1 -16 -4  4  o 77.48395 35.55544 -4.702799      3.912279  1.356112       3.857582  -32.01443      60.94238 
1 1 1 -16 -4  5  o 243.7738 28.52705 12.69856       4.102540  15.05327       4.375245  -21.23349      59.91886 
1 1 1 -16 -4  6  o 353.3918 23.17603 28.62025       4.929622  28.56131       5.185105  2.031525       47.84727 
1 1 1 -16 -4  7  f 342.2788 33.11569 28.19032       4.909786  0.000000       0.000000  ?              ?        
1 1 1 -16 -4  8  o 120.1357 42.72953 1.405057       3.919426  5.948328       4.093081  -38.44576      69.21358 
1 1 1 -16 -4  9  o 108.3229 46.80117 1.587721       4.067533  0.000000       0.000000  ?              ?        
1 1 1 -16 -4  10 o 158.8992 52.49699 6.181516       5.719591  9.742399       6.355859  -22.90955      85.78396 
1 1 1 -16 -4  11 o 70.63337 34.07544 -0.7757338     3.980265  -7.824973      5.214552  11.14229       57.91813 
1 1 1 -16 -4  12 o 120.2340 48.48712 6.594608       5.605402  1.667163       5.533271  26.14385       76.37729 
1 1 1 -16 -3  1  o 535.8459 19.46576 59.57330       6.304120  68.18084       6.627171  -36.29138      39.22421 
1 1 1 -16 -3  2  o 121.1143 43.01264 5.474362       4.023278  0.5387608      4.088027  41.94134       69.81989 
1 1 1 -16 -3  3  o 418.5341 20.35858 37.24618       5.230488  41.00568       5.309903  -20.53995      41.25080 
1 1 1 -16 -3  4  o 246.6658 28.40756 16.69442       4.318834  11.42203       4.217778  50.37837       59.96342 
1 1 1 -16 -3  5  o 134.3371 41.99552 1.288013       3.697258  8.223444       4.103706  -68.45411      68.10135 
1 1 1 -16 -3  6  o 330.1706 23.26675 25.60596       4.665474  24.16691       4.807285  11.14914       48.07701 
1 1 1 -16 -3  7  o 87.34867 37.95749 1.622186       3.697372  -1.413863      3.974113  15.67159       62.63654 
1 1 1 -16 -3  8  o 204.9247 33.81514 8.731815       3.980053  12.29585       4.340896  -35.64738      68.67524 
1 1 1 -16 -3  9  o 116.6270 42.44362 2.111101       3.818484  4.951130       4.155608  -24.19636      69.04343 
1 1 1 -16 -3  10 o 131.9564 50.99400 8.114996       5.855906  1.692982       5.998868  35.78620       80.51701 
1 1 1 -16 -3  11 o 144.0514 52.46573 10.14311       6.102774  3.317926       6.052807  40.02602       82.74295 
1 1 1 -16 -3  12 o 197.4595 42.91158 10.19503       4.375092  13.32976       6.391482  -4.982468      83.03603 
1 1 1 -16 -2  1  o 290.7164 27.85353 18.27137       4.846247  19.92302       5.085750  -12.57410      57.45637 
1 1 1 -16 -2  2  o 214.4285 32.21730 13.33205       4.206004  8.010538       4.101942  56.00084       65.22894 
1 1 1 -16 -2  3  o 455.0623 19.40926 45.81924       5.420223  46.42831       5.513679  -2.842834      39.22533 
1 1 1 -16 -2  4  o 277.0588 25.95741 17.43864       4.410162  17.50891       4.408303  -0.6116333     53.82075 
1 1 1 -16 -2  5  o 377.7663 21.19095 32.62452       4.971214  31.70477       4.920974  5.451447       43.19031 
1 1 1 -16 -2  6  o 291.6823 24.63221 20.04872       4.389241  18.99167       4.441719  8.961395       51.22114 
1 1 1 -16 -2  7  o 103.8727 45.38278 0.000000       0.000000  0.6046690      3.914395  ?              ?        
1 1 1 -16 -2  8  o 120.9754 42.54325 4.882346       3.992709  2.387644       3.926973  21.38441       69.48154 
1 1 1 -16 -2  9  o 117.6852 45.15150 5.045818       3.959169  -0.3073431     5.791563  23.74907       71.83276 
1 1 1 -16 -2  10 o 111.4428 42.52675 3.912538       4.065349  2.252836       4.106777  11.84867       68.43900 
1 1 1 -16 -2  11 o 163.8574 52.94546 10.74916       5.984171  6.355761       6.291172  29.98863       85.69525 
1 1 1 -16 -2  12 o 171.9776 54.12259 8.590714       6.084834  12.04672       6.868836  -17.89018      88.57614 
1 1 1 -16 -2  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -16 -1  1  o 63.25450 30.91579 -4.507948      3.936336  -5.983884      4.101528  3.087852       55.53861 
1 1 1 -16 -1  2  o 282.7251 25.85034 14.42943       4.334044  22.15199       4.649628  -63.14037      54.03601 
1 1 1 -16 -1  3  o 239.3622 29.41573 12.09330       4.140353  14.32140       4.425803  -20.65782      61.17709 
1 1 1 -16 -1  4  o 239.0615 28.78223 17.04817       4.208542  9.350584       4.156911  75.98001       61.17998 
1 1 1 -16 -1  5  o 96.98879 39.58964 2.429668       3.715540  -0.1898458     3.816696  18.09072       65.04681 
1 1 1 -16 -1  6  o 236.9316 29.33629 10.40787       4.082651  16.32146       4.371397  -57.16936      61.87324 
1 1 1 -16 -1  7  o 159.4808 40.34190 5.753601       3.889982  7.485982       4.105100  -17.66548      71.82287 
1 1 1 -16 -1  8  o 113.1393 44.92515 4.428449       5.724530  1.665042       4.089078  27.08778       74.61069 
1 1 1 -16 -1  9  o 154.5067 51.12910 6.991930       4.032388  0.000000       0.000000  ?              ?        
1 1 1 -16 -1  10 o 138.1482 50.29762 0.000000       0.000000  5.701003       3.949188  ?              ?        
1 1 1 -16 -1  11 o 119.2018 49.25668 7.570360       6.065902  -0.5188439E-01 5.785923  38.80646       78.21301 
1 1 1 -16 -1  12 o 136.9617 51.88061 6.120318       5.926291  6.532432       6.188960  -2.039230      81.22511 
1 1 1 -16 -1  13 o 92.88857 39.95364 -1.774055      3.950401  5.494884       4.397518  -43.54812      64.90736 
1 1 1 -16 0   1  o 82.92560 37.31176 -1.665768      3.971977  -0.7634929     4.080207  -6.640305      63.54328 
1 1 1 -16 0   2  o 607.8795 18.22597 88.38949       7.000611  75.94799       6.736773  46.45551       36.72616 
1 1 1 -16 0   3  o 95.86253 39.59665 4.723822       3.804488  -3.145236      3.844299  56.88966       64.23446 
1 1 1 -16 0   4  o 106.4746 40.92825 1.018907       3.752693  3.010625       3.855393  -17.11340      67.23800 
1 1 1 -16 0   5  o 262.4275 26.57504 16.87596       4.275454  14.78278       4.257725  18.97086       55.67015 
1 1 1 -16 0   6  o 292.1129 25.23136 20.98432       4.462229  18.17958       4.595177  23.81461       52.91431 
1 1 1 -16 0   7  o 226.4670 31.00418 10.40603       4.099778  14.54548       4.398581  -40.40251      65.15221 
1 1 1 -16 0   8  o 139.2263 47.36611 -0.1230915     6.217577  7.584699       4.162006  -45.18777      74.72153 
1 1 1 -16 0   9  o 226.9622 38.80198 14.27542       4.447711  11.21224       6.811955  49.58061       80.39568 
1 1 1 -16 0   10 o 170.1784 51.23232 8.954603       4.136589  0.000000       0.000000  ?              ?        
1 1 1 -16 0   11 o 123.6985 45.27298 6.706106       5.626993  3.248592       3.900607  25.76331       74.61395 
1 1 1 -16 0   12 o 110.5849 47.06870 2.953020       5.707057  3.138751       5.611926  -0.5795822     73.93318 
1 1 1 -16 0   13 o 119.3508 45.66120 4.190965       4.049061  4.977635       5.888030  -5.585884      72.87321 
1 1 1 -16 1   1  o 263.3828 28.93694 17.20203       4.712515  14.32876       4.589892  25.39604       60.13951 
1 1 1 -16 1   2  o 382.1451 21.16046 29.82654       4.932020  35.47117       5.063695  -33.83902      42.97793 
1 1 1 -16 1   3  o 286.9721 25.73211 19.89462       4.605305  17.48358       4.462319  19.22253       53.16338 
1 1 1 -16 1   4  o 121.7886 42.73881 1.234597       3.923182  5.446540       4.069776  -37.88505      69.82619 
1 1 1 -16 1   5  o 161.3287 39.58723 5.683364       4.018214  7.113144       3.850245  -15.33478      70.94285 
1 1 1 -16 1   6  o 309.0106 23.91639 21.21928       4.473317  22.54715       4.628175  -9.193604      49.47210 
1 1 1 -16 1   7  o 81.46655 36.38295 0.1613135      3.649503  -1.176562      3.859337  5.292763       60.71469 
1 1 1 -16 1   8  o 150.2475 50.87898 0.000000       0.000000  6.367595       3.990242  ?              ?        
1 1 1 -16 1   9  o 107.1697 43.73781 5.302344       3.920561  -4.505537      5.803858  40.64314       68.39234 
1 1 1 -16 1   10 o 103.6272 40.94846 4.438934       3.846339  0.3006373      3.938797  28.75499       65.61189 
1 1 1 -16 1   11 o 241.3948 30.53504 12.46682       4.447582  17.03067       4.493274  -45.55211      66.85853 
1 1 1 -16 1   12 o 142.6926 52.51523 4.667198       6.107953  9.798297       6.119055  -28.21320      81.93195 
1 1 1 -16 1   13 o 181.6426 51.07933 11.64327       6.178931  11.02568       5.826081  1.073914       86.37676 
1 1 1 -16 2   1  o 427.4891 21.00943 37.62782       5.579955  43.66918       5.528840  -32.78885      42.65356 
1 1 1 -16 2   2  o 315.3170 23.92294 22.49289       4.661022  22.19281       4.627861  2.111023       48.92161 
1 1 1 -16 2   3  o 426.9049 20.00349 40.98031       5.402490  40.42804       5.170265  2.299042       40.53271 
1 1 1 -16 2   4  o 164.2419 39.61271 9.050325       4.120809  4.412486       3.868651  49.54428       70.09892 
1 1 1 -16 2   5  o 216.8327 31.69955 11.33893       4.142878  10.85853       4.132720  5.085739       65.53976 
1 1 1 -16 2   6  f 368.1410 22.22606 32.46833       5.119514  29.30890       4.987132  19.35583       45.61497 
1 1 1 -16 2   7  o 284.5231 25.69984 19.33985       4.626970  18.53461       4.359112  4.431824       54.15599 
1 1 1 -16 2   8  o 130.3038 45.92104 4.228531       5.905068  4.605995       3.915392  3.230865       75.97626 
1 1 1 -16 2   9  f 136.6472 43.49498 4.841006       4.029295  5.474680       4.281190  -5.725601      72.36634 
1 1 1 -16 2   10 o 89.98672 38.92949 -2.673300      3.891842  4.735147       4.096729  -45.70289      63.70831 
1 1 1 -16 2   11 o 83.87995 39.74487 0.000000       0.000000  -1.987548      3.907247  ?              ?        
1 1 1 -16 2   12 o 133.3889 51.47437 3.929385       6.024235  8.515308       6.039837  -23.65539      79.89288 
1 1 1 -16 2   13 o 204.7795 50.73790 19.62771       6.645728  9.387410       6.201138  68.60732       88.30398 
1 1 1 -16 3   1  f 324.5309 24.74761 22.88274       5.119774  24.34551       4.785985  -11.69211      50.92134 
1 1 1 -16 3   2  o 277.0628 26.31010 16.77607       4.597411  17.95807       4.348315  -11.22604      54.71968 
1 1 1 -16 3   3  o 226.4631 31.17627 15.40950       4.502946  9.051941       4.058665  62.74617       64.17211 
1 1 1 -16 3   4  o 314.1947 23.59572 22.74363       4.669714  22.03786       4.467485  4.302795       48.50504 
1 1 1 -16 3   5  o 179.2160 36.80777 6.415077       4.055953  9.158778       3.861067  -30.87112      69.43806 
1 1 1 -16 3   6  o 191.4389 34.65278 5.167167       3.820498  13.34971       4.124271  -86.98190      65.43887 
1 1 1 -16 3   7  o 118.6551 41.72043 5.699901       3.958085  1.545747       3.673151  37.34660       67.94402 
1 1 1 -16 3   8  o 247.2393 29.73053 11.17348       4.582231  18.13585       4.362499  -70.90770      65.12092 
1 1 1 -16 3   9  o 103.5142 41.19265 0.2375909      4.165504  3.927595       3.790025  -23.14674      66.08868 
1 1 1 -16 3   10 o 115.0112 42.64029 4.592393       4.208888  2.675202       3.896045  15.31368       68.76376 
1 1 1 -16 3   11 o 154.4948 42.91767 6.315964       4.333714  7.879254       4.189520  -15.11305      73.64546 
1 1 1 -16 3   12 o 98.35703 44.85629 3.151704       6.082758  -1.086752      6.034088  14.90572       71.23608 
1 1 1 -16 3   13 o 114.0545 48.25529 3.692949       5.841029  4.641786       5.935225  -4.124924      74.38516 
1 1 1 -16 4   1  o 402.7948 20.65857 31.92650       5.126114  40.52251       5.163179  -49.33560      42.14847 
1 1 1 -16 4   2  o 121.7946 41.98009 1.409821       4.101775  4.731980       3.631323  -26.02635      68.67163 
1 1 1 -16 4   3  o 258.3632 26.81394 13.35514       4.318974  17.04710       4.155739  -35.11967      56.75566 
1 1 1 -16 4   4  o 510.7610 19.05168 56.17744       6.104888  60.58437       5.949460  -20.53214      38.68245 
1 1 1 -16 4   5  o 342.0448 22.56344 31.43622       5.104633  22.93259       4.478088  54.41840       46.38921 
1 1 1 -16 4   6  o 233.4488 30.41541 10.30853       4.293605  15.67569       4.306263  -54.57207      64.48412 
1 1 1 -16 4   7  o 114.4511 42.08095 1.905803       3.997073  4.289363       3.854617  -18.27888      68.21424 
1 1 1 -16 4   8  o 212.1106 33.39113 14.12992       4.466657  8.899234       4.059315  51.39066       68.64736 
1 1 1 -16 4   9  o 190.0081 36.32500 6.589410       4.168968  12.14098       4.083320  -59.85298      69.50414 
1 1 1 -16 4   10 o 103.3980 41.46587 4.748889       4.114058  0.3737901      3.986350  29.77869       66.39828 
1 1 1 -16 4   11 o 79.01344 36.21138 0.7850110      4.161059  -1.508502      3.878024  12.90684       59.61440 
1 1 1 -16 4   12 o 107.7785 47.09826 3.071018       6.399798  2.886517       5.607755  2.474213       73.38634 
1 1 1 -16 4   13 o 89.76229 42.03750 1.251740       6.142107  -1.119970      5.622511  9.306091       67.03616 
1 1 1 -16 5   1  o 202.0300 34.76467 6.322030       4.276204  12.65186       4.127189  -67.60449      67.70524 
1 1 1 -16 5   2  f 332.2843 32.37819 0.000000       0.000000  25.54904       4.659362  ?              ?        
1 1 1 -16 5   3  o 162.1951 41.10767 9.489934       4.318441  3.949958       3.983046  57.13321       71.30183 
1 1 1 -16 5   4  f 160.5409 39.60865 5.060280       4.119818  7.532871       3.746392  -26.25366      70.44308 
1 1 1 -16 5   5  o 217.1251 31.72991 7.897391       4.254525  14.32514       4.048022  -69.27336      65.58006 
1 1 1 -16 5   6  o 219.4838 32.21788 13.78129       4.475901  9.938909       4.065583  36.92648       67.02503 
1 1 1 -16 5   7  o 84.17252 39.76826 -2.656337      3.858768  0.000000       0.000000  ?              ?        
1 1 1 -16 5   8  f 70.13153 33.20458 -4.436852      4.013354  -0.4726691     3.691599  -13.44820      56.59273 
1 1 1 -16 5   9  o 206.5296 35.83106 12.85736       4.524898  9.593125       4.329793  31.98613       72.80408 
1 1 1 -16 5   10 o 105.9674 41.40004 2.326091       4.093170  3.358683       3.801363  -6.015175      66.14783 
1 1 1 -16 5   11 o 123.8851 48.18743 -0.3977702     5.327580  10.46117       5.308279  -61.29152      74.55599 
1 1 1 -16 5   12 o 75.45707 36.92375 -9.093360      6.148540  -0.2940092E-01 5.470322  -17.52515      61.56483 
1 1 1 -16 5   13 o 89.22498 41.73323 -1.437837      6.001042  1.588149       5.528366  -7.419029      66.02934 
1 1 1 -16 6   1  o 189.5050 37.08207 5.343431       4.226711  11.78542       4.179644  -68.28375      69.03596 
1 1 1 -16 6   2  o 151.6296 41.23613 5.043998       4.003189  6.265590       3.957696  -12.49725      71.72275 
1 1 1 -16 6   3  o 276.7039 26.42074 20.21027       4.790442  15.59776       4.223005  35.93755       55.15837 
1 1 1 -16 6   4  o 101.4276 40.55181 2.358469       4.115511  1.107368       3.646889  13.50913       66.70036 
1 1 1 -16 6   5  o 380.4837 22.32990 31.81383       5.406722  34.27508       5.100969  -17.21152      46.19295 
1 1 1 -16 6   6  o 236.3636 30.88489 14.44883       4.545114  12.70684       4.304982  15.12793       65.80441 
1 1 1 -16 6   7  o 261.3891 28.40194 17.23025       4.641494  15.95860       4.428576  9.197830       61.42831 
1 1 1 -16 6   8  o 214.0024 34.22774 17.00747       4.796984  7.832518       4.072760  86.14258       68.98260 
1 1 1 -16 6   9  o 91.28795 39.84219 2.057106       4.560879  -0.4690270E-01 4.006496  15.07639       64.93284 
1 1 1 -16 6   10 o 111.4342 45.29863 7.430152       4.554716  -2.129667      5.350786  49.30611       70.06969 
1 1 1 -16 6   11 o 89.23193 41.86691 2.589481       6.094871  -3.214244      5.657058  20.25900       67.83842 
1 1 1 -16 6   12 o 90.74801 41.50681 3.113634       5.687829  -0.7227735     4.878134  17.00737       66.23568 
1 1 1 -16 6   13 o 77.19476 35.42645 -1.279875      3.996995  1.175855       3.732354  -9.139587      57.07441 
1 1 1 -16 7   1  o 272.3523 38.92290 0.000000       0.000000  17.80338       4.517747  ?              ?        
1 1 1 -16 7   2  o 138.0296 42.21231 3.888510       4.069534  5.423941       3.840513  -13.95117      71.08398 
1 1 1 -16 7   3  o 195.6002 35.04841 8.418094       4.156745  10.12070       4.038598  -19.38361      69.41511 
1 1 1 -16 7   4  o 168.2656 40.06900 9.765788       4.363214  5.162664       3.916989  46.93895       71.86317 
1 1 1 -16 7   5  o 139.1921 43.01149 6.706257       4.203616  3.632292       3.981353  28.81215       71.90799 
1 1 1 -16 7   6  o 155.1739 42.04662 6.276473       4.227410  6.799014       4.071324  -5.509415      73.25751 
1 1 1 -16 7   7  o 183.3468 39.87724 6.833961       4.358963  11.41633       4.454532  -45.61057      73.90784 
1 1 1 -16 7   8  o 168.4775 50.19745 0.000000       0.000000  8.763537       3.986722  ?              ?        
1 1 1 -16 7   9  o 84.19344 37.77102 1.147409       4.385349  -0.6172744     3.849049  12.86365       61.93425 
1 1 1 -16 7   10 o 111.5492 51.99341 2.450565       6.222142  0.000000       0.000000  ?              ?        
1 1 1 -16 7   11 o 128.3819 50.92204 3.717669       6.317405  8.217772       5.795300  -21.71959      77.78365 
1 1 1 -16 7   12 o 89.61067 40.70991 1.593241       4.389078  0.5432727      5.736764  -0.9257660     64.13914 
1 1 1 -16 7   13 o 82.48472 39.31664 -2.265787      5.876412  0.7300510      5.306256  -5.909241      62.36715 
1 1 1 -16 8   1  f 82.25302 36.60025 0.1161178E-01  3.834519  -1.101936      3.688067  8.430199       61.50361 
1 1 1 -16 8   2  o 345.8665 23.30892 23.30069       4.889838  31.64523       5.057775  -55.84564      48.51595 
1 1 1 -16 8   3  o 109.5971 42.32979 2.842715       4.356970  2.089962       3.852849  9.310516       69.25921 
1 1 1 -16 8   4  o 234.0289 30.55656 12.91214       4.473496  13.39165       4.199746  -7.650467      65.05556 
1 1 1 -16 8   5  o 266.2912 28.53919 19.24300       4.872720  15.17027       4.439166  32.31015       61.29780 
1 1 1 -16 8   6  o 95.34932 40.25694 -0.9018432E-01 4.120217  2.723908       4.047782  -16.61022      65.18710 
1 1 1 -16 8   7  o 75.96893 36.86167 0.000000       0.000000  -4.357877      3.839480  ?              ?        
1 1 1 -16 8   8  o 179.6918 44.48206 1.162791       5.879654  13.99960       4.331025  -105.6345      69.58753 
1 1 1 -16 8   9  o 124.7263 50.71712 4.859655       6.643242  5.328614       5.753675  -1.735779      78.57355 
1 1 1 -16 8   10 o 97.78512 46.98479 -0.5222235     5.874674  0.000000       0.000000  ?              ?        
1 1 1 -16 8   11 o 94.57114 41.97670 0.5232239      4.446834  3.602432       5.567147  -16.65163      66.85008 
1 1 1 -16 8   12 o 88.92972 40.56627 3.823962       4.595016  -2.141667      5.424722  18.66718       63.31957 
1 1 1 -16 8   13 o 100.7995 45.21222 -1.548107      6.128593  7.911958       5.621645  -30.76852      68.68084 
1 1 1 -16 9   1  o 288.0682 26.81538 18.85913       4.751451  19.74886       4.722152  -7.662048      56.39064 
1 1 1 -16 9   2  o 153.3287 42.72514 10.10941       4.324143  2.536929       4.112957  72.43671       70.49113 
1 1 1 -16 9   3  o 158.4261 42.95022 7.779568       4.472460  5.672834       4.193034  19.95180       74.79360 
1 1 1 -16 9   4  o 112.8693 42.06842 5.799027       4.132566  0.7084488      3.781818  42.10204       68.04741 
1 1 1 -16 9   5  o 128.3951 43.38740 4.059537       4.262697  5.011378       3.960919  -7.464882      70.96501 
1 1 1 -16 9   6  o 84.59538 37.64217 -0.2666528     4.165587  0.4419745      3.810373  -0.7132111     61.71427 
1 1 1 -16 9   7  o 131.6153 50.69468 6.737554       6.287508  4.240353       5.480827  14.37416       80.31880 
1 1 1 -16 9   8  o 109.9660 47.84783 -0.5569547     6.207574  5.984276       5.997186  -26.06252      75.10976 
1 1 1 -16 9   9  o 160.7198 59.11085 0.000000       0.000000  11.26804       5.475464  ?              ?        
1 1 1 -16 9   10 o 111.2303 48.56560 4.194104       4.476347  0.000000       0.000000  ?              ?        
1 1 1 -16 9   11 o 83.48692 39.81606 -3.931962      6.174748  1.413472       5.366210  -11.00648      63.51175 
1 1 1 -16 9   12 o 96.29503 43.83702 2.312596       6.103555  2.883389       5.456870  -0.9288712     66.86159 
1 1 1 -16 9   13 f 71.17345 35.16690 -3.255242      6.222906  -3.546368      5.246270  4.746117       56.96455 
1 1 1 -16 10  1  o 254.4667 29.82154 13.53712       4.654421  17.34630       4.582729  -37.09979      64.15777 
1 1 1 -16 10  2  o 113.3924 42.97604 1.164980       4.121196  4.762529       4.189818  -27.36423      69.51498 
1 1 1 -16 10  3  o 68.27565 32.58434 -3.381018      3.965337  -2.205795      3.744742  -2.283554      55.94741 
1 1 1 -16 10  4  o 119.5933 43.82290 7.291007       4.542454  1.142446       4.007211  48.01913       70.64828 
1 1 1 -16 10  5  o 248.3609 45.17507 16.65167       7.094752  18.33222       6.370600  -24.75244      91.93432 
1 1 1 -16 10  6  o 98.07073 44.51811 -0.8881803     6.330177  1.320683       5.515440  -3.981674      71.72128 
1 1 1 -16 10  7  f 114.6534 48.93282 7.163718       6.850309  1.026333       5.620962  28.61463       77.67142 
1 1 1 -16 10  8  o 114.1813 48.33147 5.635928       6.412769  2.758259       5.510716  13.39919       75.24097 
1 1 1 -16 10  9  o 90.27740 43.69525 0.000000       0.000000  -1.544227      5.308954  ?              ?        
1 1 1 -16 10  10 o 136.1774 58.56322 10.25358       6.311889  0.000000       0.000000  ?              ?        
1 1 1 -16 10  11 f 75.14436 36.60792 -3.510930      6.070711  -1.419935      5.068558  -0.3334961     58.97257 
1 1 1 -16 10  12 o 84.54414 39.94540 -3.599317      5.765138  4.173221       5.280440  -20.15220      62.43576 
1 1 1 -16 10  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -16 11  1  f 331.1794 31.82241 21.39616       7.699290  29.84518       5.670633  -92.12138      78.53751 
1 1 1 -16 11  2  o 142.7419 52.40744 3.646188       6.128019  8.551619       6.037963  -29.12383      83.26582 
1 1 1 -16 11  3  f 131.4933 50.17471 4.727029       5.998059  5.449313       5.420526  -3.420227      79.54783 
1 1 1 -16 11  4  o 130.5059 51.06226 3.632362       6.209561  6.479169       5.809866  -14.59624      80.23051 
1 1 1 -16 11  5  o 92.09367 42.60216 -0.5706369     5.914206  -0.6224747     5.578369  2.163345       69.31268 
1 1 1 -16 11  6  o 99.30000 43.07074 -0.6477437     4.308537  6.278705       5.864049  -39.76015      71.08949 
1 1 1 -16 11  7  o 124.1964 47.93030 6.198678       4.795529  3.758457       5.809678  13.61497       74.43091 
1 1 1 -16 11  8  o 103.0513 45.79266 2.213199       6.098770  3.240104       5.654971  -2.873047      70.77487 
1 1 1 -16 11  9  o 93.31129 43.41959 -0.7536694     6.509664  2.833496       5.752220  -8.337982      67.39194 
1 1 1 -16 11  10 o 79.42369 38.41516 3.335740       6.136943  -5.703259      5.474977  25.24637       62.88629 
1 1 1 -16 11  11 o 81.44621 37.50144 -2.977431      4.868794  3.551465       4.002984  -20.48110      58.64926 
1 1 1 -16 11  12 o 75.15004 34.96582 0.6550174      4.061019  0.1267041      3.851204  2.881439       55.14416 
1 1 1 -16 12  1  o 121.4124 50.43688 2.902390       6.954930  4.387518       5.729501  -3.481049      79.57484 
1 1 1 -16 12  2  o 89.06195 41.91927 0.9945203      6.344361  -3.908863      5.637997  20.55408       69.68950 
1 1 1 -16 12  3  o 102.1503 42.35426 1.968451       4.611797  2.324057       4.211945  -0.2690887E-01 67.86240 
1 1 1 -16 12  4  o 94.42392 43.49223 5.438638       6.387059  -4.287407      5.491603  40.25728       72.20236 
1 1 1 -16 12  5  o 244.2706 45.84051 23.54041       7.051490  13.61921       6.380653  68.49883       91.07744 
1 1 1 -16 12  6  o 115.2397 49.00479 8.391061       6.174873  0.2412845      6.074769  34.01458       75.90342 
1 1 1 -16 12  7  f 142.7758 52.24401 10.65252       6.409142  6.350048       5.722456  19.25030       80.50561 
1 1 1 -16 12  8  o 72.01412 35.64516 -6.342425      6.194235  -3.279589      5.681157  -3.449936      58.69602 
1 1 1 -16 12  9  f 98.07433 42.59039 1.912821       6.202435  3.292228       4.071187  -2.047485      65.86101 
1 1 1 -16 12  10 o 79.40836 36.50621 1.369420       4.329531  0.2875977      3.940597  5.721970       57.45666 
1 1 1 -16 12  11 o 75.21793 35.13136 -1.372544      4.295640  1.575804       3.843684  -8.700668      55.41855 
1 1 1 -16 12  12 o 60.92420 29.99177 -2.896018      4.179174  -2.553001      3.837686  1.230782       49.18407 
1 1 1 -16 13  1  o 73.82240 36.38960 -2.203585      6.294786  -9.386069      5.657563  22.25449       63.35711 
1 1 1 -16 13  2  o 196.2485 53.09143 18.31727       7.266013  8.706723       6.117868  57.18939       91.35641 
1 1 1 -16 13  3  o 98.76395 45.03512 -1.165297      6.547407  2.351837       5.739563  -8.778084      71.57933 
1 1 1 -16 13  4  o 99.90783 45.15971 8.150451       6.413263  -3.573132      5.615591  46.41688       73.30441 
1 1 1 -16 13  5  o 98.18815 44.41632 0.9929268      6.031427  2.277084       5.580484  -3.160660      69.55134 
1 1 1 -16 13  6  o 81.90381 37.31812 -0.1667372     4.560295  0.8125912      3.882586  -0.4301682     59.75745 
1 1 1 -16 13  7  o 71.71795 33.99541 -0.3207703     4.214396  -1.718470      3.903886  7.126488       55.48254 
1 1 1 -16 13  8  o 92.04583 40.07348 2.966442       4.421883  1.568411       4.157727  7.234367       62.41660 
1 1 1 -16 13  9  o 124.5142 45.47004 8.575067       5.029410  4.933531       4.216035  16.66970       70.04485 
1 1 1 -16 13  10 o 111.7471 43.76204 5.111960       4.872092  5.479889       4.058786  -4.811584      65.85106 
1 1 1 -16 13  11 o 90.51873 41.83344 0.000000       0.000000  3.210993       3.899146  ?              ?        
1 1 1 -16 14  1  o 84.60422 38.60639 -3.001421      4.781090  2.295244       4.256412  -19.14807      62.56449 
1 1 1 -16 14  2  o 195.0097 41.33868 10.75209       5.097837  11.67908       4.626812  -15.48634      79.01360 
1 1 1 -16 14  3  f 100.3966 42.42205 0.8167995      4.915695  3.880671       4.239952  -13.49552      66.43409 
1 1 1 -16 14  4  o 82.84734 38.14450 -2.786837      4.828123  2.426992       4.269682  -17.32862      61.12825 
1 1 1 -16 14  5  o 78.35886 36.64027 0.7246884      4.736104  -1.149481      4.171591  9.898903       59.15663 
1 1 1 -16 14  6  o 76.00692 35.68421 -2.974095      4.560879  1.598765       4.030650  -13.45683      57.30375 
1 1 1 -16 14  7  o 84.93181 38.40874 0.8836123      4.801389  1.470891       3.971885  0.6004257      60.29647 
1 1 1 -16 14  8  o 154.5862 44.76916 8.308249       4.871009  9.717115       4.266863  -18.00636      73.20596 
1 1 1 -16 14  9  o 81.40718 37.62023 -3.842379      4.898318  4.958067       4.119137  -28.00294      58.41312 
1 1 1 -16 14  10 o 127.3927 45.69266 6.440872       4.769245  8.455767       4.425311  -13.94123      68.39669 
1 1 1 -16 14  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -16 15  1  f 107.1853 44.03699 6.480932       4.955768  1.110528       4.474377  29.40688       69.16805 
1 1 1 -16 15  2  o 79.38688 36.73870 3.383536       4.825074  -2.420245      3.877166  29.05119       60.90632 
1 1 1 -16 15  3  o 92.83456 40.70891 0.9778940      4.742854  2.961424       4.274477  -7.549171      63.46187 
1 1 1 -16 15  4  f 97.02666 41.69385 5.128386       4.949301  1.181776       4.182480  19.57106       65.14733 
1 1 1 -16 15  5  o 77.80663 36.33110 0.7937393      4.697666  -0.7030113     4.033365  8.702118       58.26089 
1 1 1 -16 15  6  o 76.91656 36.16275 6.729059       4.944771  -4.686892      4.023969  46.14809       61.06081 
1 1 1 -16 15  7  o 61.14453 30.29791 -2.086371      4.566765  -4.927523      4.111172  9.550339       50.47282 
1 1 1 -16 15  8  o 74.20923 35.17315 0.3390026      4.552254  -0.1403901     4.144154  2.980011       55.22045 
1 1 1 -16 15  9  o 102.1363 42.38659 2.345076       4.664041  6.825127       4.194389  -21.39227      62.64865 
1 1 1 -16 15  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -16 16  1  f 82.06134 37.85024 2.134594       4.710580  -1.102921      4.283930  14.44154       60.59002 
1 1 1 -16 16  2  o 85.63009 39.03112 4.182858       4.865181  -1.526464      4.338174  24.67101       62.38021 
1 1 1 -16 16  3  o 90.83553 40.35887 3.692453       4.753931  0.5427933      4.376628  14.30970       63.03201 
1 1 1 -16 16  4  o 105.9676 43.82598 2.098184       4.739732  6.415829       4.647336  -20.87953      66.60650 
1 1 1 -16 16  5  o 76.49487 35.96808 -1.099612      4.675830  1.229923       4.114631  -5.472694      56.53572 
1 1 1 -16 16  6  o 87.31315 39.17431 0.4456753      4.697505  3.974879       4.155809  -12.78738      59.52924 
1 1 1 -16 16  7  o 66.00722 32.23312 -2.653787      4.452065  -1.071033      4.232982  -2.987549      51.79734 
1 1 1 -16 16  8  o 77.56491 36.46978 1.251400       4.863482  1.197407       4.191741  1.444794       55.75759 
1 1 1 -16 16  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -16 17  1  o 95.99377 41.46980 4.615839       5.302095  2.159995       3.999413  11.44671       64.15345 
1 1 1 -16 17  2  o 68.22415 33.23764 1.284794       5.016389  -4.499365      4.172817  20.00713       55.15650 
1 1 1 -16 17  3  o 64.32441 31.66427 -0.1901738     4.601062  -5.330902      4.320602  14.30006       52.36216 
1 1 1 -16 17  4  o 75.88164 36.14088 1.462593       5.088798  -1.030472      4.367810  9.466103       56.88054 
1 1 1 -16 17  5  o 88.84138 40.13893 5.526090       5.050049  0.6677257      4.436756  17.33430       61.10822 
1 1 1 -16 17  6  f 62.13795 30.86748 -1.294494      4.925194  -4.786397      4.321836  10.12147       50.47514 
1 1 1 -16 17  7  o 62.43744 30.88373 0.1343640      4.732830  -4.470274      4.157366  12.59237       50.15916 
1 1 1 -16 18  1  o 69.43355 33.76659 -2.669989      5.135248  -1.074392      4.242276  0.1757431      54.24257 
1 1 1 -16 18  2  o 101.8961 42.89924 7.732826       5.296221  2.520845       4.144789  20.06769       65.05992 
1 1 1 -16 18  3  o 79.48029 37.30145 4.502023       5.306903  -0.9407498     4.203525  18.45928       58.36852 
1 1 1 -16 18  4  o 85.74372 39.48391 -1.539328      5.240474  5.804793       4.533952  -21.96667      59.36733 
1 1 1 -16 18  5  o 79.76810 37.43795 -0.4768738     4.857502  3.729801       4.547578  -11.65672      56.65747 
1 1 1 -16 19  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 -20 1  o 146.7661 52.82597 11.70968       6.625085  3.335255       5.744490  49.30491       84.43178 
1 1 1 -15 -19 1  o 89.10915 41.63203 -4.882007      6.016559  1.042471       5.421377  -16.64447      68.81082 
1 1 1 -15 -19 2  o 158.7664 54.92592 4.890937       6.413981  11.96510       6.769679  -41.75249      87.66158 
1 1 1 -15 -18 1  o 140.3794 55.69266 -4.093401      12.07904  7.603503       5.638500  -23.90607      87.52148 
1 1 1 -15 -18 2  o 167.7321 60.01156 0.000000       0.000000  9.636073       5.591929  ?              ?        
1 1 1 -15 -18 3  o 150.1720 51.03516 10.54177       5.855517  3.610472       5.516041  46.89334       82.12581 
1 1 1 -15 -17 1  o 106.9161 45.35332 5.532573       5.419749  -1.666049      5.047112  41.11063       73.84356 
1 1 1 -15 -17 2  f 117.6481 47.10945 4.406550       5.256476  1.761267       5.179557  16.06390       75.76440 
1 1 1 -15 -17 3  o 210.5149 44.50665 11.01382       5.677443  13.45660       5.583655  -22.87560      84.73283 
1 1 1 -15 -17 4  f 98.52844 43.46420 0.1737333E-01  5.241239  1.376588       5.139647  -5.713219      70.58763 
1 1 1 -15 -16 1  o 106.1172 45.96843 1.405725       5.559830  0.5588370      5.597566  3.899933       75.00135 
1 1 1 -15 -16 2  o 171.6029 46.20441 10.97073       5.244668  5.716328       4.834376  45.13318       79.80628 
1 1 1 -15 -16 3  o 236.3061 38.38399 14.11940       5.424562  14.49759       5.442761  -3.415970      79.75157 
1 1 1 -15 -16 4  o 86.34976 39.77313 0.5320409      5.007349  -2.709512      4.846113  15.12763       66.24296 
1 1 1 -15 -16 5  o 203.4638 44.84102 18.45459       5.565407  4.846318       5.449837  115.5847       76.65998 
1 1 1 -15 -15 1  o 161.0786 48.12336 6.969127       4.678956  6.822855       5.875800  0.5492859      81.94830 
1 1 1 -15 -15 2  o 119.4570 49.41537 5.147043       5.989217  -0.1563186E-01 5.946861  27.49413       79.81525 
1 1 1 -15 -15 3  o 205.5146 40.90181 12.02754       5.001569  9.967780       5.060808  20.61783       79.24470 
1 1 1 -15 -15 4  o 170.6470 46.60712 4.557691       5.004160  11.80908       5.142525  -62.30096      78.57746 
1 1 1 -15 -15 5  o 92.55941 41.08858 -0.7299443     4.620137  1.221790       4.803893  -11.12802      67.42918 
1 1 1 -15 -15 6  o 98.38352 46.12253 0.000000       0.000000  -1.812712      5.014266  ?              ?        
1 1 1 -15 -14 1  o 198.1667 53.46775 8.575142       6.749460  12.96852       6.697399  -33.68184      92.60018 
1 1 1 -15 -14 2  o 325.8441 37.24955 18.07713       7.045811  35.50859       7.799596  -121.7717      81.21094 
1 1 1 -15 -14 3  o 140.1487 51.65214 8.235317       6.089274  2.241603       5.759847  39.27849       83.29011 
1 1 1 -15 -14 4  o 257.9113 44.20745 16.60413       6.873160  18.53566       6.764655  -17.67206      90.89849 
1 1 1 -15 -14 5  o 184.6526 41.92146 10.04668       4.659182  8.009795       4.724965  20.40099       77.41850 
1 1 1 -15 -14 6  o 119.6673 47.05659 1.886174       6.245040  4.293369       4.439397  -6.320107      75.61417 
1 1 1 -15 -14 7  o 141.3053 52.85829 5.930822       4.412582  0.000000       0.000000  ?              ?        
1 1 1 -15 -13 1  o 223.2990 39.88532 5.489512       6.689719  15.36507       4.551761  -91.07248      76.71143 
1 1 1 -15 -13 2  o 204.6384 53.19019 21.38779       7.257050  3.593540       6.442146  131.5462       86.26104 
1 1 1 -15 -13 3  o 381.3240 34.47538 34.79259       8.069775  34.98783       8.064056  -1.309906      73.88210 
1 1 1 -15 -13 4  o 178.4036 47.67756 7.926200       4.795396  9.840501       6.240001  -12.53857      84.48613 
1 1 1 -15 -13 5  o 115.3208 48.43444 -3.920383      5.843364  8.533562       5.880651  -64.97721      77.71867 
1 1 1 -15 -13 6  o 198.8693 39.22259 11.19051       4.734899  9.326431       4.601205  17.94968       76.24762 
1 1 1 -15 -13 7  o 130.4003 44.23709 4.642965       4.345264  4.638727       4.190984  0.3201599      72.48857 
1 1 1 -15 -13 8  o 109.7574 42.64635 3.115246       4.243708  2.563837       4.084316  4.682182       68.78735 
1 1 1 -15 -12 1  o 130.8442 44.02645 3.788991       4.225942  4.224792       4.224710  -3.814087      73.01962 
1 1 1 -15 -12 2  o 498.2686 20.63836 48.71992       6.208570  63.91920       6.534372  -69.28427      42.13965 
1 1 1 -15 -12 3  f 120.7148 44.35170 2.109069       4.428994  4.404466       4.289410  -16.88067      72.26550 
1 1 1 -15 -12 4  o 132.6690 52.96125 2.568512       6.466419  4.922967       6.686682  -13.74779      85.57533 
1 1 1 -15 -12 5  o 91.28889 41.33820 0.4835472      4.195005  -4.169306      6.723491  -2.938293      69.54625 
1 1 1 -15 -12 6  o 137.2965 52.21164 4.100116       6.421728  5.809898       5.901951  -8.506943      83.58398 
1 1 1 -15 -12 7  o 220.2034 42.77496 16.25010       6.952782  11.23661       4.858716  25.03621       86.18048 
1 1 1 -15 -12 8  o 119.5828 44.26212 1.409272       4.302568  6.034485       4.406507  -34.58089      71.14895 
1 1 1 -15 -12 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 -11 1  o 211.4806 35.42179 10.74960       4.550205  10.39786       4.418025  3.137222       71.07627 
1 1 1 -15 -11 2  o 244.5028 31.48990 19.90178       4.897342  9.013523       4.463395  101.0136       65.80559 
1 1 1 -15 -11 3  o 236.7396 33.47075 12.56713       4.796645  14.10775       4.760335  -15.55785      69.89813 
1 1 1 -15 -11 4  f 141.7498 44.93172 -0.1964779     4.335003  10.94803       4.535996  -96.64851      69.32276 
1 1 1 -15 -11 5  o 129.7883 51.80701 2.640249       5.804605  4.818147       6.921464  -17.31770      84.28138 
1 1 1 -15 -11 6  o 98.42937 44.38620 -0.8161633     5.416979  -0.6675103E-01 6.109878  -8.530426      73.51753 
1 1 1 -15 -11 7  o 145.4274 52.37857 3.817739       6.117874  8.046309       5.956453  -26.34024      84.03552 
1 1 1 -15 -11 8  o 112.8087 47.66688 6.970275       5.901516  -1.961102      5.577597  47.09647       76.99739 
1 1 1 -15 -11 9  o 153.6308 42.89527 1.367156       3.976658  13.40088       4.572776  -109.5568      67.52329 
1 1 1 -15 -10 1  o 86.25988 37.84232 1.361244       3.958729  -2.071529      3.813557  23.45442       63.75159 
1 1 1 -15 -10 2  o 93.81436 39.27651 -0.2455731     3.893405  1.489474       3.780973  -10.77019      65.04726 
1 1 1 -15 -10 3  o 190.0933 37.23380 9.899831       4.343231  7.676393       4.131545  23.31604       71.57098 
1 1 1 -15 -10 4  o 253.2944 29.35224 13.73788       4.509084  16.35075       4.544449  -24.57092      62.17106 
1 1 1 -15 -10 5  o 144.7498 43.56805 4.374238       3.950733  6.680541       4.580736  -22.78984      74.05318 
1 1 1 -15 -10 6  f 88.86987 41.78112 -10.83721      5.583245  7.035145       6.256020  -77.98523      74.17436 
1 1 1 -15 -10 7  o 160.5975 53.42291 9.335581       5.920972  5.118625       6.578256  28.03793       86.71275 
1 1 1 -15 -10 8  o 227.7464 49.61818 11.94134       6.354449  18.05037       7.382957  -40.35046      93.74526 
1 1 1 -15 -10 9  o 123.9173 49.51865 1.371024       5.795811  6.284634       5.710945  -26.70502      78.76358 
1 1 1 -15 -10 10 o 115.2610 43.39302 5.320242       4.148144  1.328036       4.295467  28.34288       69.45485 
1 1 1 -15 -9  1  o 91.81864 39.06493 3.685741       3.899621  -3.202515      3.890758  47.27406       64.60989 
1 1 1 -15 -9  2  o 429.6914 20.21462 40.02708       5.270025  42.47942       5.482324  -12.57639      40.92186 
1 1 1 -15 -9  3  o 351.4578 21.96398 28.37650       4.726974  27.19239       4.803088  8.155945       44.82645 
1 1 1 -15 -9  4  o 348.5522 22.46992 29.75974       4.862336  25.27006       4.803068  29.86813       46.13522 
1 1 1 -15 -9  5  o 104.7526 40.82638 1.053397       3.727490  3.119164       3.926857  -17.68327      66.80229 
1 1 1 -15 -9  6  f 84.70142 37.24646 2.101123       3.780416  -2.439009      3.785663  27.72549       62.07251 
1 1 1 -15 -9  7  o 268.5212 34.87693 16.38313       7.362974  18.24648       4.782856  -42.87875      80.59099 
1 1 1 -15 -9  8  o 257.0955 47.94854 18.39001       6.828496  17.85734       8.053549  17.87048       96.48227 
1 1 1 -15 -9  9  o 121.7664 46.29226 3.180923       4.188529  4.679250       5.900008  -16.27810      76.05162 
1 1 1 -15 -9  10 o 107.9978 46.23822 2.147617       5.594800  1.609908       5.445230  3.413261       74.33876 
1 1 1 -15 -9  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 -8  1  o 273.7098 26.73830 15.09628       4.369718  18.90816       4.603425  -32.01559      55.34439 
1 1 1 -15 -8  2  o 328.2828 23.24048 24.41279       4.723207  23.93448       4.681297  3.261230       47.40438 
1 1 1 -15 -8  3  o 524.7132 18.86292 60.23023       6.106135  62.44436       6.153561  -9.593872      38.09572 
1 1 1 -15 -8  4  o 123.2830 42.78065 5.388932       3.935471  1.338255       4.059256  34.54091       69.72125 
1 1 1 -15 -8  5  o 386.3776 21.88900 34.33302       5.101918  33.19012       5.357124  8.156738       44.84277 
1 1 1 -15 -8  6  o 195.6287 35.87507 11.22356       4.116713  7.432084       4.273999  41.73082       70.06776 
1 1 1 -15 -8  7  o 99.40763 44.51869 0.000000       0.000000  -0.3964688     3.999664  ?              ?        
1 1 1 -15 -8  8  o 332.2773 33.57901 30.44745       6.953501  23.78215       6.705985  46.70819       73.41855 
1 1 1 -15 -8  9  o 225.4869 45.52960 11.00460       5.923496  17.25087       6.401896  -49.71408      87.54807 
1 1 1 -15 -8  10 o 139.8439 44.86122 5.663298       4.175309  5.354342       4.683706  2.592926       74.31794 
1 1 1 -15 -8  11 o 128.7197 50.23071 4.082647       5.569435  5.342333       6.046753  -7.987244      79.82708 
1 1 1 -15 -7  1  o 531.5091 19.86967 66.07702       6.636243  59.38342       6.447091  28.60248       40.04810 
1 1 1 -15 -7  2  o 141.8704 42.64621 9.098974       4.195396  0.8877353      3.929135  80.60338       68.29169 
1 1 1 -15 -7  3  o 281.0580 25.48332 17.77984       4.465528  17.93637       4.327099  -1.898407      52.61137 
1 1 1 -15 -7  4  o 555.6505 18.46108 70.39160       6.416554  67.29095       6.293936  12.50226       37.28268 
1 1 1 -15 -7  5  o 218.4041 31.91123 11.07683       4.015362  11.39799       4.402815  -1.069778      66.06102 
1 1 1 -15 -7  6  o 120.3352 41.40628 2.519435       3.688229  4.397412       3.794428  -17.62439      68.19601 
1 1 1 -15 -7  7  o 93.97616 41.05847 -3.456010      5.426344  2.074837       3.969700  -14.62627      67.53821 
1 1 1 -15 -7  8  o 174.1570 38.87284 11.46775       4.034392  3.848451       4.154309  78.62636       68.02448 
1 1 1 -15 -7  9  f 305.4841 29.93896 28.17665       6.769012  19.63457       4.883160  44.20111       65.58812 
1 1 1 -15 -7  10 o 255.0522 46.27573 22.81404       7.034533  12.87831       7.069441  80.94540       90.94844 
1 1 1 -15 -7  11 o 97.87087 40.88073 3.897398       4.052168  -0.9100850     4.236797  28.41403       65.83232 
1 1 1 -15 -7  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 -6  1  o 211.2708 34.64061 11.69151       4.330772  8.814251       4.436436  30.50731       69.13503 
1 1 1 -15 -6  2  o 542.0341 26.78078 65.80741       6.347521  0.000000       0.000000  ?              ?        
1 1 1 -15 -6  3  o 200.3405 34.34552 13.80635       4.206315  5.292395       4.028936  89.80064       65.65090 
1 1 1 -15 -6  4  o 93.73777 41.13799 -2.285969      3.953662  3.535984       5.698479  -52.64599      72.28732 
1 1 1 -15 -6  5  o 109.1460 41.33773 3.706966       3.914531  0.9095078      3.774734  24.13313       67.72722 
1 1 1 -15 -6  6  o 103.8497 40.77386 -0.1038734     3.832630  3.815784       3.840959  -30.27264      66.44044 
1 1 1 -15 -6  7  o 116.2490 42.81473 2.217980       4.227806  3.749183       3.919294  -10.19398      69.82387 
1 1 1 -15 -6  8  o 250.4632 28.59683 17.15254       4.431212  12.65719       4.298788  42.17528       61.09754 
1 1 1 -15 -6  9  o 233.3535 30.86555 14.98939       4.386563  11.51312       4.330884  35.08519       65.76376 
1 1 1 -15 -6  10 f 111.9208 44.79515 6.622803       5.567327  0.5665495      4.163421  44.80656       74.09462 
1 1 1 -15 -6  11 o 194.9701 49.64333 6.568248       5.552184  18.12158       6.627766  -83.77682      86.04892 
1 1 1 -15 -6  12 o 69.13343 33.18584 -2.645919      3.930861  -3.313880      4.343940  -1.784317      56.63435 
1 1 1 -15 -5  1  o 633.5891 18.01302 90.05096       7.129414  87.44699       7.016816  9.262878       36.20616 
1 1 1 -15 -5  2  o 611.0997 18.94992 82.81342       7.206789  82.56966       7.143260  0.8106079      38.13390 
1 1 1 -15 -5  3  o 152.2730 42.34852 6.832932       4.125485  4.192394       4.164769  26.42665       72.77550 
1 1 1 -15 -5  4  o 226.7073 30.99293 13.26900       4.257455  10.46347       4.231819  28.84422       64.12180 
1 1 1 -15 -5  5  o 277.9629 25.99380 20.42961       4.416665  14.75006       4.443515  48.88268       54.99407 
1 1 1 -15 -5  6  o 244.5453 28.90710 13.52875       4.231439  14.27593       4.372919  -6.359222      60.72238 
1 1 1 -15 -5  7  o 190.9966 37.20950 14.21322       4.330929  4.229858       4.173454  101.5673       67.09533 
1 1 1 -15 -5  8  o 158.7461 40.74685 10.79349       4.104468  2.447111       3.964156  83.50674       67.54259 
1 1 1 -15 -5  9  o 109.6926 41.63176 0.5641968      3.830820  4.934154       3.978292  -35.03380      67.33455 
1 1 1 -15 -5  10 o 176.2766 40.33917 6.990443       4.312765  9.609678       4.317897  -26.67680      74.09871 
1 1 1 -15 -5  11 o 119.3400 48.48428 3.684970       5.551938  2.983742       5.680823  3.288025       77.39462 
1 1 1 -15 -5  12 o 95.04372 42.70751 -3.166509      5.057586  4.372219       5.474587  -36.00821      70.29070 
1 1 1 -15 -5  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 -4  1  o 285.5515 25.97417 18.84247       4.603472  17.76687       4.499505  8.540070       53.33819 
1 1 1 -15 -4  2  o 248.6352 28.69633 12.54003       4.303168  15.48633       4.387712  -27.73878      59.58099 
1 1 1 -15 -4  3  o 335.3133 23.35292 24.77659       4.868221  25.50442       4.786989  -5.286987      47.57190 
1 1 1 -15 -4  4  o 413.3763 19.99508 37.60376       5.173114  38.52630       5.053095  -5.472260      40.47858 
1 1 1 -15 -4  5  o 640.1356 18.10927 89.11454       7.019606  93.49240       7.360025  -14.81970      36.54001 
1 1 1 -15 -4  6  o 157.5043 40.02433 7.154516       3.856552  5.010799       3.982360  22.65350       70.70997 
1 1 1 -15 -4  7  o 104.6803 41.04002 0.1558540      3.740561  4.041320       4.041276  -32.46539      67.14833 
1 1 1 -15 -4  8  o 400.0786 21.15797 40.99791       5.229948  31.94489       5.234564  53.13266       43.81294 
1 1 1 -15 -4  9  o 216.2533 36.85364 15.37239       4.138206  4.532140       5.809617  105.9361       70.25124 
1 1 1 -15 -4  10 o 68.29929 32.56019 -2.292229      3.724356  -3.155375      3.929694  1.192093       55.89964 
1 1 1 -15 -4  11 o 230.0800 32.18115 8.382348       4.398694  18.37030       4.539742  -98.63968      67.08990 
1 1 1 -15 -4  12 o 116.2329 48.00534 1.679508       5.731065  4.864872       5.515254  -15.44207      75.97028 
1 1 1 -15 -4  13 o 91.20477 42.24045 -1.039850      5.692634  -0.2814588     5.640729  -2.403961      68.74451 
1 1 1 -15 -3  1  o 233.9755 29.73937 12.37411       4.182433  12.49817       4.256489  -0.9851837     61.44935 
1 1 1 -15 -3  2  o 483.8570 18.93284 51.67878       5.625959  52.00285       5.718489  -1.386047      38.13166 
1 1 1 -15 -3  3  o 513.1888 19.81096 57.01091       6.246891  59.91312       6.343847  -12.82043      39.94120 
1 1 1 -15 -3  4  o 586.1639 18.08232 76.53400       6.530555  75.92424       6.604149  2.544861       36.42865 
1 1 1 -15 -3  5  o 236.1032 28.11060 11.22452       3.909100  14.54115       4.176826  -31.92703      58.58391 
1 1 1 -15 -3  6  o 216.2142 30.99408 8.286762       3.978360  13.74973       4.100964  -57.60803      63.74108 
1 1 1 -15 -3  7  o 111.2151 41.23104 4.015928       3.828972  1.221828       3.733800  24.16393       67.37650 
1 1 1 -15 -3  8  o 274.5164 26.56442 17.28331       4.443828  17.96219       4.490843  -5.560944      56.06784 
1 1 1 -15 -3  9  o 153.3434 44.99982 7.010611       3.903646  4.699521       5.717151  17.87445       76.57637 
1 1 1 -15 -3  10 o 261.9293 27.05000 17.22276       4.281816  15.42399       4.383854  17.93530       58.09523 
1 1 1 -15 -3  11 o 95.24186 39.73048 3.463106       3.846065  -0.6944326     3.964758  25.91265       64.20406 
1 1 1 -15 -3  12 o 84.59666 37.56379 -2.694458      3.759661  3.646956       4.145846  -38.74258      62.48349 
1 1 1 -15 -3  13 o 92.00797 42.14663 -0.9663931     5.543272  0.4901768      5.316609  -4.244453      68.41969 
1 1 1 -15 -2  1  o 226.4953 29.17010 10.89025       3.997761  12.43225       4.008932  -15.97116      60.27279 
1 1 1 -15 -2  2  o 592.8065 17.87182 75.98897       6.507875  79.48301       6.622635  -13.34485      35.93541 
1 1 1 -15 -2  3  o 149.3833 44.88139 7.571497       4.511255  2.915013       4.474690  43.43040       74.93983 
1 1 1 -15 -2  4  o 465.5149 19.32754 48.19958       5.585243  48.13718       5.552988  0.2349854      39.01314 
1 1 1 -15 -2  5  o 142.8094 50.16471 0.000000       0.000000  4.586353       3.891952  ?              ?        
1 1 1 -15 -2  6  o 300.7299 23.28924 18.80679       4.236388  22.26400       4.389168  -26.29648      47.94843 
1 1 1 -15 -2  7  o 266.3940 26.01917 11.29633       4.111293  22.08323       4.392467  -94.95111      56.58963 
1 1 1 -15 -2  8  o 171.4813 45.08283 7.712158       5.828654  7.779833       4.252157  -2.971115      80.24244 
1 1 1 -15 -2  9  o 135.0674 49.29797 4.653579       3.797151  0.000000       0.000000  ?              ?        
1 1 1 -15 -2  10 f 223.2802 31.18600 15.49880       4.243266  9.029758       4.161441  66.98022       65.53911 
1 1 1 -15 -2  11 o 270.3137 27.67135 16.70676       4.473296  18.77975       4.683019  -16.09584      59.83189 
1 1 1 -15 -2  12 o 261.1284 29.04669 19.72958       4.634523  13.84298       4.616622  55.51277       64.05470 
1 1 1 -15 -2  13 o 160.1499 47.00517 10.80805       5.934218  6.335830       4.367102  27.01872       80.73042 
1 1 1 -15 -2  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 -1  1  o 617.6919 17.31107 81.91794       6.550285  86.94626       6.705420  -18.42035      34.80377 
1 1 1 -15 -1  2  o 569.6660 18.06140 67.47291       6.185210  76.67736       6.582067  -36.39960      36.32936 
1 1 1 -15 -1  3  o 347.1815 22.90864 24.74126       4.795986  29.26139       5.024211  -29.62579      46.58364 
1 1 1 -15 -1  4  o 518.5768 18.46000 57.01424       5.778236  62.63550       6.091807  -24.24637      37.20530 
1 1 1 -15 -1  5  o 322.3917 22.90473 30.13632       4.729033  17.52373       4.391310  90.18222       48.09533 
1 1 1 -15 -1  6  o 283.2570 24.66964 17.66138       4.226894  18.84709       4.359183  -9.228851      50.98614 
1 1 1 -15 -1  7  o 432.0180 19.79440 36.88036       5.065624  48.08501       5.548482  -57.89435      40.27413 
1 1 1 -15 -1  8  o 464.0231 28.46368 0.000000       0.000000  50.28254       5.765503  ?              ?        
1 1 1 -15 -1  9  o 214.1877 37.75402 10.89733       4.089840  13.11494       6.220787  -3.882080      78.84236 
1 1 1 -15 -1  10 o 97.67768 39.85893 -1.457421      3.736511  4.914344       3.898881  -46.44289      64.52775 
1 1 1 -15 -1  11 o 166.1103 40.35728 6.292481       4.103113  8.722697       4.130826  -24.65526      72.61644 
1 1 1 -15 -1  12 o 233.5823 30.66571 11.52278       4.204203  16.05579       4.481296  -42.82462      66.16380 
1 1 1 -15 -1  13 o 92.02869 39.30383 3.999000       3.969929  -1.315770      3.969193  31.35393       63.33218 
1 1 1 -15 -1  14 o 214.6262 50.94056 15.45657       6.283414  14.43501       7.162087  18.67450       92.28320 
1 1 1 -15 0   1  o 419.2780 18.86520 35.35727       4.769288  43.01851       5.029085  -41.51010      38.09571 
1 1 1 -15 0   2  o 162.4709 40.16249 5.792517       4.058899  6.679046       3.990816  -9.334305      71.77067 
1 1 1 -15 0   3  o 439.1267 19.72219 41.45889       5.308537  44.18221       5.410115  -14.08099      39.79739 
1 1 1 -15 0   4  o 319.3559 23.39948 22.19861       4.575119  23.54513       4.632074  -9.660004      47.75935 
1 1 1 -15 0   5  o 443.4479 19.53871 41.50013       5.274355  46.34704       5.453138  -24.72076      39.52641 
1 1 1 -15 0   6  o 252.0189 26.76503 15.29676       4.096104  13.78712       4.145003  14.59122       55.99365 
1 1 1 -15 0   7  o 127.1799 41.92599 4.596430       3.831438  3.155524       3.839908  13.38755       69.60793 
1 1 1 -15 0   8  o 119.3499 45.57028 8.415438       6.206255  0.9037517      3.927427  64.60722       78.08317 
1 1 1 -15 0   9  o 128.5717 42.94685 6.858724       3.926271  1.421051       4.123742  46.33337       69.11514 
1 1 1 -15 0   10 o 110.6829 41.66988 3.776405       3.889087  1.885496       3.893733  14.71884       67.58374 
1 1 1 -15 0   11 o 79.12034 35.74107 0.4875221      3.793008  -1.385456      3.680729  11.20156       59.39751 
1 1 1 -15 0   12 o 69.86827 33.02512 -0.7573878     3.792058  -3.156234      3.751065  10.83729       55.93311 
1 1 1 -15 0   13 o 148.8972 42.59452 6.463963       4.170258  6.720469       4.096187  -2.714783      72.61205 
1 1 1 -15 0   14 o 87.19960 39.26349 -0.1937782     5.406957  0.7257546      3.890883  5.230225       63.86652 
1 1 1 -15 1   1  o 259.6231 25.55276 14.28057       4.103921  16.03130       4.021312  -16.24368      52.90485 
1 1 1 -15 1   2  o 296.0022 24.68732 18.98227       4.521937  20.27188       4.462176  -10.39749      50.60487 
1 1 1 -15 1   3  o 647.4066 18.04774 97.33507       7.387528  88.57150       7.102665  30.55634       36.30398 
1 1 1 -15 1   4  o 209.9801 32.42817 8.949428       4.115143  11.42019       4.061432  -26.91992      65.72800 
1 1 1 -15 1   5  o 523.9298 18.60688 65.57533       6.219709  57.10749       5.870820  36.26001       37.56214 
1 1 1 -15 1   6  o 420.5714 19.29851 41.42731       5.072391  37.79296       4.971822  19.64438       39.12741 
1 1 1 -15 1   7  o 126.6080 42.11309 7.407908       3.849422  0.1947792      3.885862  65.19389       66.75552 
1 1 1 -15 1   8  f 112.7046 41.67588 2.295111       3.961339  3.228881       3.762441  -6.253731      68.11713 
1 1 1 -15 1   9  o 184.0988 36.77758 7.482768       3.922297  9.906416       4.197611  -24.65970      70.86073 
1 1 1 -15 1   10 o 129.0222 42.05437 3.995421       3.786133  4.832829       3.946632  -7.979088      69.73342 
1 1 1 -15 1   11 o 104.8042 40.91720 5.748690       3.839292  -0.7741737     3.852062  47.90617       65.10770 
1 1 1 -15 1   12 o 79.25230 35.80540 -4.135341      3.578958  4.432055       3.949365  -50.84464      60.41791 
1 1 1 -15 1   13 f 79.48485 35.61771 0.6815844      3.594018  -0.6144947     3.659883  6.418900       58.27872 
1 1 1 -15 1   14 o 86.67537 38.04768 4.095648       4.196609  -1.644848      3.711474  34.65074       62.28878 
1 1 1 -15 2   1  o 374.9010 20.55654 31.06052       4.850502  31.44898       4.678760  -2.787170      41.63085 
1 1 1 -15 2   2  o 754.5167 18.12699 131.5606       8.718747  120.8194       8.267611  31.89532       36.48492 
1 1 1 -15 2   3  o 61.52506 30.18812 -3.252067      4.019960  -7.451237      3.872866  17.68180       54.94174 
1 1 1 -15 2   4  o 157.6677 51.21984 5.877550       4.054675  0.000000       0.000000  ?              ?        
1 1 1 -15 2   5  o 213.6825 32.33801 9.842830       4.161266  11.43689       4.143935  -17.18646      66.04398 
1 1 1 -15 2   6  o 254.0714 27.42877 12.24757       4.209226  17.55153       4.301258  -49.37503      58.07614 
1 1 1 -15 2   7  o 248.1453 27.45314 14.96535       4.329635  13.71300       4.000397  9.725891       57.78370 
1 1 1 -15 2   8  o 102.8459 40.55622 5.393340       3.975856  -1.060959      3.664134  52.34043       65.71460 
1 1 1 -15 2   9  o 87.76292 38.00341 2.244025       3.881254  -1.272431      3.742503  23.12260       62.69725 
1 1 1 -15 2   10 o 135.3164 42.79725 4.945310       4.042654  4.928019       4.003588  0.2022552      71.37128 
1 1 1 -15 2   11 o 312.1396 24.57578 28.79250       4.881761  18.22580       4.573628  78.39734       53.39298 
1 1 1 -15 2   12 f 123.4850 42.21875 2.556970       3.809069  6.408721       3.969407  -32.23208      68.29630 
1 1 1 -15 2   13 o 84.30460 37.27506 6.397843       3.987466  -4.587944      3.704039  66.20828       61.52791 
1 1 1 -15 2   14 o 152.3898 42.40415 8.281188       4.156142  5.975956       4.153156  20.99026       72.48125 
1 1 1 -15 3   1  f 447.9914 19.19541 42.60583       5.342265  46.41888       5.301979  -19.68240      38.76887 
1 1 1 -15 3   2  o 250.6362 28.06646 18.43466       4.507209  10.74672       4.099307  70.59415       58.76835 
1 1 1 -15 3   3  o 150.8272 44.79566 6.659973       4.644035  4.267117       4.360501  23.74915       76.12030 
1 1 1 -15 3   4  o 463.2903 19.38916 46.51266       5.632157  48.99563       5.490363  -12.72699      39.22924 
1 1 1 -15 3   5  o 324.8467 22.92525 24.23791       4.751929  23.37785       4.443527  4.940765       46.94737 
1 1 1 -15 3   6  o 228.2523 29.55394 8.749647       3.984849  15.86535       4.196122  -71.84943      61.87428 
1 1 1 -15 3   7  o 229.2017 28.93478 9.835901       4.062256  14.69794       3.983702  -51.08759      61.39148 
1 1 1 -15 3   8  o 219.2300 31.66092 11.02827       4.270787  12.04907       4.096788  -12.40913      66.23238 
1 1 1 -15 3   9  o 219.3008 32.33701 9.932106       4.408619  13.57321       4.138515  -41.45822      67.92953 
1 1 1 -15 3   10 o 237.1313 30.39078 15.70395       4.563388  12.10296       4.195336  32.12708       65.14772 
1 1 1 -15 3   11 o 83.91792 37.40920 -1.834784      3.953870  1.904052       3.937433  -19.97581      61.52966 
1 1 1 -15 3   12 o 109.8481 41.89623 3.372777       3.973830  3.161983       3.954863  1.568726       67.02217 
1 1 1 -15 3   13 o 195.5056 37.46396 10.50993       4.444072  10.63284       4.315087  -3.120636      74.54681 
1 1 1 -15 3   14 o 123.8622 43.29823 3.843410       4.136459  5.903246       4.059035  -15.66040      69.19793 
1 1 1 -15 3   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 4   1  o 298.0959 23.97981 16.70946       4.360667  23.22260       4.433939  -51.05569      49.79693 
1 1 1 -15 4   2  o 438.8818 19.56284 46.41669       5.546610  39.69516       5.105817  34.26526       39.48558 
1 1 1 -15 4   3  o 148.1557 44.04621 -0.6811705     4.548440  10.16599       4.166067  -94.65128      67.73605 
1 1 1 -15 4   4  o 151.0447 40.59459 7.344848       4.134171  4.056236       3.675629  35.87643       70.54546 
1 1 1 -15 4   5  o 363.8064 21.14667 39.46999       5.262161  23.01999       4.365853  100.0775       43.25861 
1 1 1 -15 4   6  o 141.4031 41.58768 3.994978       3.986772  5.809505       3.800579  -17.48492      70.61600 
1 1 1 -15 4   7  o 81.91151 36.41095 -0.3677019     3.794858  -0.5665075     3.631900  3.139961       60.99312 
1 1 1 -15 4   8  o 129.7771 41.17519 7.085793       3.940380  2.052631       3.534979  49.61098       67.81850 
1 1 1 -15 4   9  o 127.7843 41.46952 3.838982       3.923208  4.776654       3.614477  -7.944687      68.67873 
1 1 1 -15 4   10 o 95.74284 39.36361 0.4867214      3.802240  2.547188       3.711666  -13.37132      63.82986 
1 1 1 -15 4   11 o 106.1959 41.29816 9.492483       4.132241  -2.694221      3.712193  93.41563       63.66887 
1 1 1 -15 4   12 o 199.5156 35.07435 10.82178       4.316554  10.59329       4.060307  -1.399490      71.88439 
1 1 1 -15 4   13 o 85.64874 37.89172 1.299836       4.110229  0.1278313      3.846163  7.883530       61.29053 
1 1 1 -15 4   14 o 106.2349 41.61784 3.407375       4.049685  3.295458       3.932381  0.9287720      65.64318 
1 1 1 -15 4   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 5   1  o 401.2296 20.70265 34.92671       5.353896  36.58580       4.941425  -10.52838      42.12135 
1 1 1 -15 5   2  o 118.4029 44.52980 2.672837       4.646327  2.497331       4.261310  4.809372       73.45113 
1 1 1 -15 5   3  o 110.1460 41.73230 4.043011       4.053337  0.5587207      3.794133  31.06821       68.52298 
1 1 1 -15 5   4  o 96.35995 39.97606 -2.076134      4.149753  3.184411       3.726922  -31.58884      65.35958 
1 1 1 -15 5   5  o 358.8176 21.17014 29.54943       4.782978  28.44683       4.604421  6.416077       43.15024 
1 1 1 -15 5   6  o 390.3377 20.58826 35.62902       5.200027  33.34988       4.763616  11.52332       42.04169 
1 1 1 -15 5   7  o 273.0250 26.48697 16.14587       4.575530  18.41319       4.296832  -22.32309      56.39333 
1 1 1 -15 5   8  o 101.8994 40.27337 2.319382       3.910591  1.673244       3.634788  6.984932       65.68157 
1 1 1 -15 5   9  o 231.4562 30.39587 9.232233       4.317547  16.88708       4.202353  -79.89532      65.16541 
1 1 1 -15 5   10 o 81.34232 37.62012 -0.4659631     3.891252  -2.769224      5.424084  -4.078506      63.08667 
1 1 1 -15 5   11 o 350.3478 22.95685 30.52944       5.195762  28.02594       4.756630  11.67169       48.46747 
1 1 1 -15 5   12 o 164.0611 52.27631 9.489845       4.237607  0.000000       0.000000  ?              ?        
1 1 1 -15 5   13 o 111.4356 42.11387 2.067788       4.136428  5.080837       3.846109  -20.64511      66.53950 
1 1 1 -15 5   14 o 63.43385 30.85876 -2.494924      4.176225  -3.352286      3.624918  7.778847       52.36320 
1 1 1 -15 5   15 o 123.3579 55.01498 0.000000       0.000000  7.770627       6.040884  ?              ?        
1 1 1 -15 6   1  o 107.1865 43.17052 3.743127       4.562117  -0.5826002     4.269520  33.73370       71.24989 
1 1 1 -15 6   2  o 188.3183 38.31915 6.238817       4.385454  10.52016       4.264831  -45.31174      71.67087 
1 1 1 -15 6   3  o 377.0142 21.91324 33.38751       5.389298  30.67983       4.857540  14.79300       44.66528 
1 1 1 -15 6   4  o 83.06801 36.89546 -0.4244957     4.025359  -0.7932034     3.612843  7.455452       62.27845 
1 1 1 -15 6   5  o 363.3868 21.72704 30.24847       4.982337  29.47014       4.774813  4.026367       44.40822 
1 1 1 -15 6   6  o 171.9565 39.64515 6.673889       4.216658  8.130670       4.071810  -15.74870      72.60840 
1 1 1 -15 6   7  f 297.6181 25.00541 24.60250       4.843034  17.29240       4.345019  54.42764       52.51722 
1 1 1 -15 6   8  o 129.3421 41.99997 2.375494       3.968247  6.248176       3.752468  -34.41634      68.57085 
1 1 1 -15 6   9  o 113.2273 43.36301 2.025217       4.670490  3.951393       3.938756  -10.01744      69.69064 
1 1 1 -15 6   10 o 110.3913 47.13211 2.346684       4.034218  0.000000       0.000000  ?              ?        
1 1 1 -15 6   11 o 95.51795 39.58410 -1.224281      3.983739  4.487354       3.709058  -34.65933      63.01967 
1 1 1 -15 6   12 o 104.8060 40.69336 2.396580       4.060894  3.574214       3.562280  -6.783371      64.59215 
1 1 1 -15 6   13 o 77.36938 35.27952 -2.398473      3.992354  1.697308       3.539878  -15.95663      57.31087 
1 1 1 -15 6   14 o 79.45652 37.36647 -1.045542      5.969760  -0.4477588     4.022849  8.162346       60.90981 
1 1 1 -15 6   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 7   1  o 120.3283 42.18141 1.931865       3.986207  4.169755       3.800938  -18.38184      69.41236 
1 1 1 -15 7   2  o 295.6697 25.87767 21.80223       4.873063  18.14374       4.541319  27.64731       53.47548 
1 1 1 -15 7   3  o 127.4379 42.70812 0.6107403      4.068831  6.641751       3.889931  -52.83517      68.60208 
1 1 1 -15 7   4  o 149.3332 41.28814 4.720006       4.112944  6.221589       3.809922  -14.65808      71.36737 
1 1 1 -15 7   5  o 119.4335 41.99609 2.583523       3.993248  3.908086       3.735918  -9.876534      68.98891 
1 1 1 -15 7   6  o 145.0443 41.84822 5.775311       4.134463  5.104909       3.829050  6.977722       71.76290 
1 1 1 -15 7   7  o 95.40481 39.74264 -1.722144      3.897614  4.084332       3.899289  -39.13184      64.66077 
1 1 1 -15 7   8  o 75.40054 34.98971 1.099946       4.119218  -3.526412      3.742086  26.33183       59.64958 
1 1 1 -15 7   9  o 102.7108 42.90200 -0.7688725     6.209203  2.910524       3.774144  -4.276489      69.53177 
1 1 1 -15 7   10 o 134.0826 51.36176 5.661056       4.224894  0.000000       0.000000  ?              ?        
1 1 1 -15 7   11 o 74.14147 34.71609 -2.373532      4.100484  -0.3052323     3.901364  -6.976753      57.58122 
1 1 1 -15 7   12 o 83.59794 37.19655 0.6567616      4.064281  0.6946797      3.722352  1.974075       59.85505 
1 1 1 -15 7   13 o 81.15816 36.94994 -2.735827      4.161135  3.108456       4.020001  -25.42291      59.71441 
1 1 1 -15 7   14 o 86.86944 40.40090 5.459887       5.710610  -3.050778      4.912875  31.31300       65.30106 
1 1 1 -15 7   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 8   1  o 204.8259 35.48063 13.37582       4.505595  6.956535       4.200186  66.33125       69.11692 
1 1 1 -15 8   2  o 221.9601 31.25238 13.27492       4.369443  10.01432       4.020402  32.21017       64.56068 
1 1 1 -15 8   3  o 265.4309 26.40139 12.43276       4.263452  20.03637       4.315982  -68.40857      56.82122 
1 1 1 -15 8   4  o 137.9386 41.85668 2.376916       3.995835  6.890892       3.799343  -42.78503      69.14224 
1 1 1 -15 8   5  f 204.6691 34.12072 8.356553       4.222468  11.95705       4.137930  -39.52109      68.69133 
1 1 1 -15 8   6  o 127.9699 43.59172 4.457942       4.267445  3.893132       4.028796  5.700378       71.80587 
1 1 1 -15 8   7  o 187.5802 37.93090 7.544870       4.283521  10.63011       4.240322  -32.95107      72.51706 
1 1 1 -15 8   8  o 171.7793 39.08106 7.063847       4.206969  8.787766       3.946053  -19.88618      72.11445 
1 1 1 -15 8   9  o 332.5807 33.43497 0.000000       0.000000  28.16927       4.811414  ?              ?        
1 1 1 -15 8   10 o 202.6866 42.16664 14.46678       4.597567  7.469764       5.900328  74.16690       76.66595 
1 1 1 -15 8   11 o 91.11615 39.24155 0.5641515      4.196653  2.254855       3.862232  -7.429825      62.57419 
1 1 1 -15 8   12 o 100.6343 41.01753 4.729088       4.331319  1.365413       3.791241  21.66109       65.06703 
1 1 1 -15 8   13 o 103.1040 45.60023 2.869431       5.932917  3.768750       5.578827  -2.870964      69.63136 
1 1 1 -15 8   14 o 105.0653 45.80981 6.764386       5.958858  1.911391       5.325533  18.18555       69.78077 
1 1 1 -15 9   1  o 241.6011 30.06065 17.09324       4.545596  10.47580       4.282241  63.16718       63.23661 
1 1 1 -15 9   2  o 200.6290 34.70068 9.069133       4.189511  10.24009       4.135849  -13.06856      69.30186 
1 1 1 -15 9   3  o 317.6952 24.73985 21.07483       4.814984  25.28736       4.859613  -31.17712      51.52889 
1 1 1 -15 9   4  o 247.9025 29.21324 13.50724       4.558002  15.39930       4.268663  -21.01025      62.46786 
1 1 1 -15 9   5  o 312.6279 24.36562 21.67931       4.796895  23.57371       4.586055  -16.20575      51.10556 
1 1 1 -15 9   6  o 188.9161 36.96468 8.340741       4.229633  9.857414       4.125606  -17.16341      71.86858 
1 1 1 -15 9   7  o 81.12733 36.55650 -4.167454      3.785877  3.861954       3.981355  -45.99525      61.32282 
1 1 1 -15 9   8  o 101.9695 40.88110 3.952168       4.204343  0.9911950      3.710083  22.97350       66.17827 
1 1 1 -15 9   9  o 115.4773 46.78709 0.000000       0.000000  3.554649       3.685822  ?              ?        
1 1 1 -15 9   10 o 94.75831 40.52362 2.589410       4.564203  1.055992       3.959762  11.29733       64.95599 
1 1 1 -15 9   11 o 75.70378 35.54985 6.593578       5.845783  -3.701522      3.496104  54.24090       64.69154 
1 1 1 -15 9   12 o 90.27046 41.91045 1.209877       5.929234  0.6997542E-01  5.372501  5.635506       66.21570 
1 1 1 -15 9   13 o 124.1216 50.16955 5.628964       6.104290  8.283618       5.857918  -11.74440      74.51836 
1 1 1 -15 9   14 o 80.29341 37.79594 0.5341624      4.453957  -0.2871676     5.367587  -0.8012543     59.50158 
1 1 1 -15 10  1  o 340.8327 23.74084 29.33599       5.222880  24.17158       4.782278  32.99509       48.91851 
1 1 1 -15 10  2  o 204.2104 35.97579 12.08442       4.562204  8.595082       4.237450  34.91328       71.49227 
1 1 1 -15 10  3  o 149.0349 42.49401 6.270290       4.235615  5.320265       4.013113  9.370605       73.03682 
1 1 1 -15 10  4  o 105.3449 41.59606 -0.3209378     4.151583  4.310820       3.887585  -31.28075      66.99732 
1 1 1 -15 10  5  o 78.08468 35.78378 -2.809190      3.982805  0.4828059      3.854659  -15.22666      60.07922 
1 1 1 -15 10  6  o 80.96721 36.46773 -1.008780      3.839467  0.2883627      3.872924  -7.207939      60.37199 
1 1 1 -15 10  7  o 72.81599 34.19282 1.013796       4.004555  -4.212537      3.850083  24.80103       58.09741 
1 1 1 -15 10  8  f 102.0320 41.38299 3.969182       4.395844  1.084980       3.828438  21.46474       66.80842 
1 1 1 -15 10  9  o 95.32032 41.48042 -2.613631      6.205437  3.036090       3.802796  -11.69772      65.96108 
1 1 1 -15 10  10 o 77.83096 37.71912 -4.264999      5.875829  -1.937936      5.431315  -3.467323      62.06693 
1 1 1 -15 10  11 o 120.5949 48.12542 10.81326       6.078768  2.078608       4.947048  41.11576       75.09625 
1 1 1 -15 10  12 o 125.3532 49.97638 6.256090       6.079187  6.936953       5.638047  -4.166473      75.20690 
1 1 1 -15 10  13 o 71.11374 34.75850 -3.869399      4.448018  -0.8060446E-01 6.085466  -16.63210      57.56023 
1 1 1 -15 10  14 o 118.8188 49.63951 0.5140215      6.539696  12.83552       5.751415  -46.42809      72.33056 
1 1 1 -15 11  1  o 352.7887 23.99771 30.40119       5.464357  27.23964       5.006530  17.87546       49.71379 
1 1 1 -15 11  2  o 83.11585 37.47548 -3.633350      4.202032  1.902297       3.976523  -26.97913      62.60411 
1 1 1 -15 11  3  o 104.9307 41.93376 0.6299598      4.215299  3.438775       4.041660  -18.17572      67.90284 
1 1 1 -15 11  4  f 136.8841 43.27899 4.570715       4.317706  5.522107       3.937276  -8.085510      72.04189 
1 1 1 -15 11  5  o 83.63652 37.21194 0.4595273      4.031084  -0.3542594     3.753391  6.976151       61.30395 
1 1 1 -15 11  6  o 205.3279 36.01617 11.29153       4.485626  11.04689       4.357462  0.8609161      73.58829 
1 1 1 -15 11  7  o 110.9159 45.52750 12.49157       6.921010  -0.3391437     4.128254  76.61965       78.58198 
1 1 1 -15 11  8  o 157.3529 54.02589 12.09367       7.105000  6.862565       5.818745  24.57352       86.29723 
1 1 1 -15 11  9  o 97.48226 44.51381 1.122188       6.459945  1.336271       5.610599  2.127396       70.14410 
1 1 1 -15 11  10 o 97.25075 43.97693 3.083887       5.815956  1.078759       5.539961  7.681778       68.37782 
1 1 1 -15 11  11 f 147.1118 49.18596 8.460138       4.747006  8.483578       6.028773  8.613884       77.19275 
1 1 1 -15 11  12 o 89.18560 40.84832 4.469972       4.822382  -1.669869      5.419685  19.30230       63.11116 
1 1 1 -15 11  13 o 84.02528 39.98507 -6.928273      5.905889  7.329850       5.536576  -36.39213      63.43423 
1 1 1 -15 11  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 12  1  o 97.80547 41.23270 4.156944       4.577045  -1.098496      4.023494  37.18546       67.94630 
1 1 1 -15 12  2  o 83.33511 37.80448 -1.175890      4.473366  -0.3318102     4.026734  0.1738129      62.90704 
1 1 1 -15 12  3  o 118.2032 44.02553 2.841518       4.477966  4.269600       4.177148  -9.245819      70.94550 
1 1 1 -15 12  4  o 86.81744 41.08298 1.830055       6.506571  -4.985410      5.385737  29.79657       69.65870 
1 1 1 -15 12  5  o 92.21577 42.85072 2.122624       6.649666  -2.680790      5.365704  23.71770       70.98404 
1 1 1 -15 12  6  o 154.3383 53.29289 9.777068       6.805865  6.999800       5.728056  13.37709       85.34303 
1 1 1 -15 12  7  o 151.1881 54.47584 7.848733       6.773819  8.986628       6.309577  -7.504395      84.91771 
1 1 1 -15 12  8  o 111.0611 48.80370 5.794667       7.161371  2.056241       5.969285  14.83885       75.73311 
1 1 1 -15 12  9  o 71.26803 34.75473 -4.794405      4.581267  -0.9693313     5.545267  -16.38010      58.45488 
1 1 1 -15 12  10 o 108.1463 46.69806 5.917396       6.111092  3.180228       5.396456  10.28877       70.86255 
1 1 1 -15 12  11 o 101.8267 45.04242 8.995472       6.216395  -0.6789968E-01 5.152397  33.17691       69.97817 
1 1 1 -15 12  12 f 81.06768 38.85807 -2.594858      5.916498  2.333423       5.339211  -10.39484      60.39003 
1 1 1 -15 12  13 o 91.95068 42.80096 1.342282       6.165534  4.797019       5.721963  -8.691582      63.66940 
1 1 1 -15 13  1  o 90.87817 42.67237 -3.534406      6.689733  -0.5994402     5.661876  -2.770470      70.36763 
1 1 1 -15 13  2  o 185.3273 55.04535 11.61903       7.360890  11.15543       6.331017  -3.049652      91.86451 
1 1 1 -15 13  3  o 101.8739 46.06852 -3.748623      6.844647  4.049525       5.749206  -22.86893      73.52507 
1 1 1 -15 13  4  f 76.46262 37.54255 -2.767072      6.750264  -7.568879      5.658207  19.17406       64.65170 
1 1 1 -15 13  5  o 132.7129 53.21835 11.47695       7.108668  1.605413       6.301026  46.00060       83.37642 
1 1 1 -15 13  6  o 83.61359 38.27248 -5.286097      4.719353  4.023747       4.245055  -36.82674      62.41769 
1 1 1 -15 13  7  o 150.9075 54.09615 13.64088       7.208401  6.156653       5.858147  32.00364       84.55807 
1 1 1 -15 13  8  f 73.40723 36.11440 -1.318728      5.988379  -6.604278      5.567806  14.13965       60.08843 
1 1 1 -15 13  9  o 91.03838 42.35887 1.926899       6.280478  0.8923380      5.415330  5.048332       65.73521 
1 1 1 -15 13  10 o 96.48801 43.83148 4.452540       6.367677  1.485225       5.226993  10.79067       67.31054 
1 1 1 -15 13  11 o 82.30383 38.59225 3.297246       6.154861  -0.1582758     4.279571  13.99634       60.74121 
1 1 1 -15 13  12 o 66.53208 32.18850 -2.877923      4.374223  -0.3380758     3.810582  -4.319336      51.85501 
1 1 1 -15 13  13 f 81.14788 36.94963 2.490224       4.256947  1.297357       3.941624  4.999115       56.47595 
1 1 1 -15 14  1  o 110.0566 47.24166 7.692477       6.228498  -1.436346      5.429825  45.32800       76.26546 
1 1 1 -15 14  2  o 146.1616 52.16228 6.893031       6.368783  7.297941       5.639374  -3.572525      82.73462 
1 1 1 -15 14  3  o 102.0488 45.78722 0.3341236      6.324140  2.143908       5.745396  -4.434898      72.75702 
1 1 1 -15 14  4  o 107.0284 46.84355 -1.454784      6.194049  5.948613       5.680418  -28.32112      73.44117 
1 1 1 -15 14  5  o 117.8460 50.22661 3.047796       6.712761  5.983105       6.231721  -11.10422      76.92831 
1 1 1 -15 14  6  o 111.5597 48.48999 6.482659       6.667968  2.232791       5.903023  16.26752       74.57201 
1 1 1 -15 14  7  o 83.22008 39.76150 5.825327       6.371118  -5.633802      5.308496  36.14728       65.97922 
1 1 1 -15 14  8  o 71.61400 34.12369 3.199806       4.616074  -4.212111      3.860902  30.63428       57.38005 
1 1 1 -15 14  9  o 65.71915 31.95296 -4.779820      4.475808  -0.6264673     3.862510  -7.955879      52.68452 
1 1 1 -15 14  10 o 71.78523 34.28045 -2.223076      4.519194  0.5786088      4.067327  -6.522156      54.62555 
1 1 1 -15 14  11 o 98.98223 42.26525 3.826541       4.609045  4.523752       4.568563  -2.999977      63.03945 
1 1 1 -15 14  12 o 75.30441 35.30582 0.6257044      4.453756  1.032010       3.911948  0.1298141      54.53326 
1 1 1 -15 15  1  o 70.09586 34.95288 -7.421065      6.205493  -7.851316      6.044268  1.981270       59.87872 
1 1 1 -15 15  2  o 86.77524 39.33730 1.992639       4.645948  -1.261345      4.503104  15.04471       63.62529 
1 1 1 -15 15  3  o 118.0934 45.57833 5.610621       4.766348  3.485086       4.694067  12.75558       71.40200 
1 1 1 -15 15  4  o 152.3856 45.61467 8.896932       5.064022  7.053560       4.318965  8.675705       76.00063 
1 1 1 -15 15  5  o 70.49605 33.83111 -2.242338      4.387344  -1.686603      4.175547  -0.3225174     55.76098 
1 1 1 -15 15  6  f 134.0844 45.26391 10.58443       4.794056  3.681047       4.197421  44.61768       71.84137 
1 1 1 -15 15  7  f 86.85583 38.85627 -0.2570366     4.556095  3.149844       4.077132  -12.90830      60.50617 
1 1 1 -15 15  8  o 95.82291 41.29448 8.635760       4.834754  -1.179859      4.154155  47.40376       65.31313 
1 1 1 -15 15  9  o 75.02594 35.42521 -0.7763302     4.779381  0.6974222      3.968817  -1.553566      55.71023 
1 1 1 -15 15  10 o 70.18258 33.70611 0.1467837      4.582838  -1.241034      4.003840  6.436226       53.55445 
1 1 1 -15 15  11 o 59.36358 29.79809 -3.715034      4.335861  -6.416987      5.461473  -0.9369125     48.85207 
1 1 1 -15 16  1  o 81.13965 37.86050 1.098537       5.155448  -1.636404      4.325525  14.78413       61.82486 
1 1 1 -15 16  2  o 84.20664 38.44061 -0.8018750     4.609396  1.578491       4.330233  -8.317078      61.36344 
1 1 1 -15 16  3  o 82.80103 38.20224 -1.344586      4.817074  1.640295       4.358274  -9.050705      60.81783 
1 1 1 -15 16  4  o 76.47425 36.09644 -2.215691      4.697769  0.7118564      4.283012  -7.713623      57.99121 
1 1 1 -15 16  5  o 101.4848 42.79608 2.886442       4.869816  4.156198       4.380804  -5.799004      65.38444 
1 1 1 -15 16  6  o 66.72504 32.36511 -2.514939      4.622229  -1.930353      3.838884  3.385368       53.23221 
1 1 1 -15 16  7  o 80.95080 37.22918 -1.591365      4.699077  2.776490       3.974810  -13.55577      58.13083 
1 1 1 -15 16  8  o 66.93398 32.60652 -2.070710      4.576763  -1.400744      4.177967  0.1980286      52.36924 
1 1 1 -15 16  9  o 81.39321 37.34662 4.556026       4.759159  -0.1727859     3.928919  18.09780       57.97791 
1 1 1 -15 16  10 o 91.15340 41.31647 0.3136375      6.852930  5.297462       4.175270  -14.20683      60.21902 
1 1 1 -15 16  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -15 17  1  o 89.23311 39.90857 2.472791       5.007109  0.9765294      4.166307  8.929680       62.82787 
1 1 1 -15 17  2  o 73.16513 35.09645 -5.348369      5.096008  1.117480       4.213032  -14.17234      56.94981 
1 1 1 -15 17  3  o 88.68376 39.75515 2.596311       4.993057  1.087113       4.164341  8.453865       62.24862 
1 1 1 -15 17  4  o 95.29482 41.49754 5.458850       4.738939  0.4891314      4.464908  22.23801       64.19695 
1 1 1 -15 17  5  o 77.18654 36.39304 0.1929116      4.739245  -0.1265641     4.341601  2.627899       57.48308 
1 1 1 -15 17  6  o 108.5244 44.52783 10.40161       5.202602  1.752328       4.468273  37.07208       67.45169 
1 1 1 -15 17  7  f 70.21495 33.98144 -1.294420      4.779521  -0.5572402     4.329794  -0.1721878     53.67711 
1 1 1 -15 17  8  o 71.97806 34.74030 -3.388721      4.733570  2.544245       4.597133  -14.84874      54.60915 
1 1 1 -15 17  9  o 74.25454 35.12829 3.808872       4.702399  -1.062306      3.960671  15.87469       54.55745 
1 1 1 -15 18  1  o 78.00684 36.72161 -1.660179      5.096958  1.089668       4.189083  -4.971664      58.05041 
1 1 1 -15 18  2  o 72.74917 34.93361 -2.751521      5.110974  0.1672470      4.180934  -3.895844      55.76656 
1 1 1 -15 18  3  o 65.85340 32.34933 -0.5773101     5.037742  -4.122952      4.213743  12.89204       53.24678 
1 1 1 -15 18  4  f 86.69940 39.11741 3.921462       5.029946  1.310148       4.046707  10.58638       59.98426 
1 1 1 -15 18  5  o 99.99710 45.66636 0.000000       0.000000  5.368663       4.459505  ?              ?        
1 1 1 -15 18  6  o 86.68604 39.67103 1.144091       5.108721  3.970481       4.528478  -8.682907      59.39231 
1 1 1 -15 18  7  o 99.09843 43.28337 13.24886       5.447591  -0.5088401     4.699082  47.19154       65.38892 
1 1 1 -15 18  8  o 79.65630 38.05910 5.435609       6.903668  0.7051925      4.444031  10.35527       57.37231 
1 1 1 -15 19  1  o 67.29864 32.96119 -5.040938      5.185024  -0.4860665     4.232775  -6.039383      53.23911 
1 1 1 -15 19  2  o 74.27160 35.65181 -0.5582730     5.290220  -0.2103680     4.358015  2.248375       56.00910 
1 1 1 -15 19  3  o 65.28493 32.15199 0.1694007      5.178858  -4.163797      4.195316  14.22915       52.59304 
1 1 1 -15 19  4  o 89.01299 40.33533 3.410557       5.287983  3.200245       4.429207  0.4336472      59.90415 
1 1 1 -15 19  5  o 66.73430 32.69337 -1.838069      5.218415  -1.014578      4.117228  2.072083       51.60046 
1 1 1 -15 19  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 -21 1  o 141.9686 64.57971 7.177368       8.807524  0.000000       0.000000  ?              ?        
1 1 1 -14 -20 1  o 126.7113 52.84678 2.859594       7.212261  5.359370       6.634110  -9.469032      83.03568 
1 1 1 -14 -20 2  o 140.5203 55.00387 0.9175061      7.376911  10.65527       6.613853  -46.01949      85.10032 
1 1 1 -14 -19 1  o 96.57070 44.80326 4.706233       7.123727  -5.494182      5.885623  44.46178       76.21648 
1 1 1 -14 -19 2  o 91.59064 42.84122 -4.237658      6.343997  0.5017854      5.811801  -12.43243      70.64465 
1 1 1 -14 -19 3  o 101.1050 45.44883 0.7027037      6.225781  0.3521876      5.719026  4.217331       73.56862 
1 1 1 -14 -18 1  o 138.3221 51.56863 4.177796       6.172917  6.317304       5.712873  -11.94307      82.49062 
1 1 1 -14 -18 2  o 152.8754 52.75081 7.789356       6.508791  6.196057       5.712631  10.43384       85.76969 
1 1 1 -14 -18 3  o 128.8281 50.26025 7.493852       6.110847  2.062440       5.530535  32.32102       80.36201 
1 1 1 -14 -18 4  o 154.7776 52.49170 10.42806       6.485213  5.131926       5.620411  33.64322       85.38248 
1 1 1 -14 -17 1  o 131.3227 51.94742 4.992870       6.622051  3.316329       5.967507  11.71054       83.63774 
1 1 1 -14 -17 2  o 103.5473 45.16323 1.894929       5.707499  0.7999571E-01  5.245920  11.84555       73.73037 
1 1 1 -14 -17 3  o 168.8886 52.57780 5.649472       6.604776  10.48050       5.688794  -35.12134      86.11979 
1 1 1 -14 -17 4  o 93.86687 42.62456 0.6242769      5.494210  -1.350725      5.304746  9.665985       70.06129 
1 1 1 -14 -17 5  o 135.5919 50.03719 8.148735       5.686076  2.607137       5.435364  35.51142       79.98883 
1 1 1 -14 -16 1  o 74.35972 35.80704 -7.605975      4.759029  -0.5878835     5.025165  -28.54131      63.19887 
1 1 1 -14 -16 2  o 73.32232 36.02541 -3.784992      5.788974  -9.468166      5.572707  17.87995       63.71754 
1 1 1 -14 -16 3  o 160.9830 58.19609 7.785716       5.274377  0.000000       0.000000  ?              ?        
1 1 1 -14 -16 4  o 132.6798 48.98412 1.131339       5.194280  8.565933       5.468428  -50.41373      78.38680 
1 1 1 -14 -16 5  o 82.17535 38.85689 -1.970754      5.197337  -3.231901      5.263424  3.980270       65.39696 
1 1 1 -14 -16 6  o 115.7353 51.62217 0.000000       0.000000  1.569088       5.320566  ?              ?        
1 1 1 -14 -15 1  o 148.6681 58.61417 8.476941       7.987003  2.160447       7.928862  31.16061       93.91497 
1 1 1 -14 -15 2  o 152.3161 58.43052 2.378872       7.778358  9.316898       7.702623  -35.77480      93.49477 
1 1 1 -14 -15 3  o 89.49093 41.51046 -2.937585      5.486979  -1.039472      5.521379  -7.887497      69.80874 
1 1 1 -14 -15 4  o 86.32441 41.09908 -0.1244246     6.112554  -6.958911      5.989120  23.58057       70.19110 
1 1 1 -14 -15 5  o 82.48225 38.33442 -4.375788      4.531074  1.346733       4.956302  -28.98270      65.33655 
1 1 1 -14 -15 6  o 161.2794 50.76478 10.88375       6.208130  5.443080       5.245881  38.22037       84.50158 
1 1 1 -14 -15 7  o 110.1300 44.77980 5.485900       4.579893  -1.018071      5.042790  36.08609       71.26249 
1 1 1 -14 -14 1  o 281.5526 27.77660 17.46500       4.855422  19.09788       4.723580  -14.79120      58.39353 
1 1 1 -14 -14 2  o 171.8243 41.94671 6.091283       4.440154  8.955725       4.422521  -28.72574      75.05093 
1 1 1 -14 -14 3  o 114.9005 49.00245 3.619036       6.324427  -0.5590998     5.998058  22.96690       80.21809 
1 1 1 -14 -14 4  o 133.9043 45.48295 1.268045       4.311204  8.591369       4.738739  -61.51257      73.40630 
1 1 1 -14 -14 5  o 152.1428 53.22231 3.213967       6.101651  10.09259       6.285002  -44.84471      85.62809 
1 1 1 -14 -14 6  o 90.10361 41.11474 -1.394454      5.616532  -0.6434096     4.701934  4.550064       68.50583 
1 1 1 -14 -14 7  o 80.46356 37.17295 -2.582949      4.249192  0.6170151E-01  4.454647  -14.03532      62.40734 
1 1 1 -14 -14 8  o 73.55744 35.04706 -1.088066      4.296855  -4.718564      4.546218  11.36512       59.67869 
1 1 1 -14 -13 1  o 161.0941 43.22620 9.045414       4.486331  3.959068       4.335638  49.89583       74.01678 
1 1 1 -14 -13 2  o 306.5849 26.49451 21.45705       5.057009  21.65624       4.924342  -2.340546      55.08731 
1 1 1 -14 -13 3  o 247.0506 31.05797 15.07119       4.660865  13.85445       4.648597  11.72511       65.72767 
1 1 1 -14 -13 4  o 146.9699 52.20100 7.372164       6.113652  3.820393       5.841715  24.73660       85.05003 
1 1 1 -14 -13 5  o 345.7421 35.46803 27.02924       7.133355  31.81319       7.927645  -25.18109      77.10625 
1 1 1 -14 -13 6  o 126.2241 49.87525 4.672414       5.540391  2.561188       6.038174  9.946167       80.05102 
1 1 1 -14 -13 7  o 84.60242 40.00966 -3.483836      5.691587  -2.397758      5.415360  -1.426025      67.58410 
1 1 1 -14 -13 8  f 91.07716 39.53965 -3.020658      4.024300  4.717201       4.279018  -47.87647      65.15575 
1 1 1 -14 -13 9  o 93.18248 40.35981 -0.8786596     4.373558  2.391500       4.228460  -17.11153      65.69832 
1 1 1 -14 -12 1  o 390.2198 22.35505 40.50970       5.655723  28.87873       5.156158  67.26477       45.64058 
1 1 1 -14 -12 2  o 246.3844 35.37874 9.429836       6.512366  16.68848       4.521229  -74.14566      76.51257 
1 1 1 -14 -12 3  o 254.5261 29.84179 17.51770       4.698919  12.79882       4.549282  43.36919       63.06763 
1 1 1 -14 -12 4  o 293.5393 27.44462 22.59631       5.094874  17.77075       4.797372  37.16473       57.83274 
1 1 1 -14 -12 5  o 294.2671 27.18447 17.77209       4.832017  22.67192       4.983873  -38.84738      57.48532 
1 1 1 -14 -12 6  o 164.2136 52.80764 12.50085       6.121032  2.663510       6.088751  69.79362       84.77046 
1 1 1 -14 -12 7  o 132.7668 44.41932 5.648362       4.388880  3.764718       4.219342  16.21139       73.12060 
1 1 1 -14 -12 8  o 153.1126 53.17594 4.035587       6.521685  9.071125       5.877299  -31.64088      85.26101 
1 1 1 -14 -12 9  o 130.7981 44.99866 4.514351       4.594264  4.810558       4.259297  -1.676071      73.50233 
1 1 1 -14 -12 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 -11 1  o 450.0322 20.38754 45.17842       5.680799  45.04179       5.672593  0.6800842      41.21689 
1 1 1 -14 -11 2  o 485.5296 19.90292 52.72629       6.082476  52.46919       5.885838  0.6625671      40.27016 
1 1 1 -14 -11 3  o 294.7527 37.91644 20.61371       4.788729  0.000000       0.000000  ?              ?        
1 1 1 -14 -11 4  o 62.62949 30.70710 -3.916773      3.982100  -6.651380      4.137475  7.484993       54.83511 
1 1 1 -14 -11 5  o 245.6741 30.57968 15.94367       4.510950  12.54431       4.609958  34.04967       65.03371 
1 1 1 -14 -11 6  o 123.3117 42.86107 4.858695       4.087372  2.539727       3.940191  20.71798       70.37096 
1 1 1 -14 -11 7  o 84.64272 40.02729 -2.292466      5.395089  -4.025617      5.724053  3.198212       67.92509 
1 1 1 -14 -11 8  o 165.7187 62.93026 8.800445       6.307248  0.000000       0.000000  ?              ?        
1 1 1 -14 -11 9  o 160.8417 51.96948 12.76865       6.330075  3.784915       5.560395  62.67021       84.73195 
1 1 1 -14 -11 10 o 124.8260 49.96786 0.6330333      5.899735  7.165453       5.836877  -35.22341      79.35115 
1 1 1 -14 -10 1  o 429.5327 20.29537 38.58056       5.333867  43.55185       5.452838  -26.42776      41.03391 
1 1 1 -14 -10 2  o 401.3288 21.22516 36.87635       5.363415  35.08202       5.172324  9.818665       43.00905 
1 1 1 -14 -10 3  o 236.7041 31.40170 12.60742       4.543757  13.32117       4.451957  -7.597168      65.31081 
1 1 1 -14 -10 4  f 318.8383 24.65086 22.12164       4.729661  24.13883       4.953408  -13.79474      50.74182 
1 1 1 -14 -10 5  o 154.5801 51.37704 6.106367       4.070425  0.000000       0.000000  ?              ?        
1 1 1 -14 -10 6  f 79.59637 36.25814 -2.113554      3.967470  -0.2980702     3.920330  -9.069328      61.25525 
1 1 1 -14 -10 7  o 145.9022 51.15939 0.000000       0.000000  5.588150       4.046607  ?              ?        
1 1 1 -14 -10 8  o 103.9408 46.20758 5.686653       5.767011  -6.038330      6.212836  48.41476       75.55376 
1 1 1 -14 -10 9  o 99.64081 44.77700 2.204709       5.655220  -2.629602      5.906112  18.78666       73.44690 
1 1 1 -14 -10 10 o 150.3961 52.16940 7.966675       5.974769  5.687924       5.909835  14.79822       84.18256 
1 1 1 -14 -10 11 o 115.8861 48.32887 3.205166       5.689579  2.629919       5.863081  2.173355       77.03185 
1 1 1 -14 -9  1  o 390.7944 22.12149 33.70094       5.224829  34.28286       5.464737  -2.922455      44.80940 
1 1 1 -14 -9  2  o 162.3405 39.67723 6.372062       3.936146  6.158089       3.986969  2.216888       71.23363 
1 1 1 -14 -9  3  o 193.8297 35.70948 7.282148       4.080299  10.48160       4.192859  -34.68390      69.21589 
1 1 1 -14 -9  4  o 419.4091 20.19353 38.38395       5.187682  40.33265       5.290384  -10.42050      40.93090 
1 1 1 -14 -9  5  o 137.1815 41.57472 7.984744       3.828580  1.125274       3.858102  66.47564       66.96256 
1 1 1 -14 -9  6  f 321.7495 23.93880 22.36380       4.742646  25.03605       4.744668  -19.63077      49.58406 
1 1 1 -14 -9  7  o 211.5748 47.41799 0.000000       0.000000  11.72567       4.291399  ?              ?        
1 1 1 -14 -9  8  o 121.8918 43.26962 2.049989       3.920560  5.517948       4.314607  -30.56122      70.79028 
1 1 1 -14 -9  9  o 176.7882 63.30287 10.26956       6.223447  0.000000       0.000000  ?              ?        
1 1 1 -14 -9  10 o 98.88199 44.83331 -1.389321      5.692740  0.8386880      6.229483  -12.63863      73.82465 
1 1 1 -14 -9  11 o 90.84217 39.81989 -2.036006      3.965219  4.049020       4.717671  -39.87947      66.47716 
1 1 1 -14 -9  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 -8  1  o 413.1206 20.10334 36.64064       5.012537  39.15032       5.269839  -13.53311      40.56509 
1 1 1 -14 -8  2  o 60.58193 29.89739 -5.078226      3.999217  -7.293320      4.116682  5.821312       54.28024 
1 1 1 -14 -8  3  o 499.4554 18.70107 55.78920       5.737260  54.92244       5.831448  4.188873       37.71185 
1 1 1 -14 -8  4  o 172.0887 38.08730 7.244086       3.858055  6.903109       4.066566  3.796371       70.54394 
1 1 1 -14 -8  5  o 159.6800 40.51740 9.403226       4.017848  3.064030       4.020620  65.30643       68.95377 
1 1 1 -14 -8  6  o 325.9387 22.96065 20.97848       4.506076  27.53798       4.727118  -46.09598      47.41304 
1 1 1 -14 -8  7  o 95.08550 39.29366 -0.2724289     4.001646  2.188268       3.571470  -12.79414      64.32926 
1 1 1 -14 -8  8  o 93.35715 38.93262 -0.9208578     3.707492  2.930959       3.788187  -27.58341      63.91365 
1 1 1 -14 -8  9  o 101.4980 40.25859 2.613129       3.793387  1.254080       3.756675  10.38245       65.55109 
1 1 1 -14 -8  10 o 97.59464 40.74205 3.130684       4.198527  -0.2138218     4.026597  22.68430       66.38769 
1 1 1 -14 -8  11 o 219.4007 50.43022 17.46800       6.490983  10.20747       6.974120  60.36981       90.78852 
1 1 1 -14 -8  12 o 94.50284 41.87904 1.251252       3.996847  -1.589741      6.791376  -6.459290      69.34066 
1 1 1 -14 -7  1  o 380.0380 21.12519 30.82408       4.988162  33.28831       4.933431  -15.08926      42.76748 
1 1 1 -14 -7  2  o 355.3311 22.39972 30.62049       5.030604  25.79948       4.801787  30.90344       45.45269 
1 1 1 -14 -7  3  o 139.1920 42.77787 3.413476       4.032100  5.578898       4.068769  -21.26237      72.02022 
1 1 1 -14 -7  4  o 294.7122 24.95852 20.45325       4.446431  18.61937       4.597249  15.22241       51.49205 
1 1 1 -14 -7  5  o 120.3985 41.72227 2.715360       3.684805  3.715218       3.926859  -10.95201      69.10886 
1 1 1 -14 -7  6  o 244.5708 27.74507 14.32238       4.055460  13.19790       4.219376  12.01030       58.28034 
1 1 1 -14 -7  7  o 232.9463 29.34462 12.67573       4.134277  12.78880       4.158732  -0.9744720     61.74039 
1 1 1 -14 -7  8  o 278.5412 26.28030 17.44136       4.351151  18.67600       4.636781  -8.401611      55.21729 
1 1 1 -14 -7  9  o 77.47905 35.34954 -2.981328      3.586315  1.243327       3.979235  -27.61444      60.28068 
1 1 1 -14 -7  10 o 171.0383 40.03426 6.027246       4.104783  9.496879       4.242710  -35.22948      72.59576 
1 1 1 -14 -7  11 o 72.80963 34.13290 0.1949063      3.819935  -4.181961      3.950192  18.61774       58.06840 
1 1 1 -14 -7  12 o 89.79093 41.46107 0.9490435      5.210547  -3.338027      5.610428  13.66673       68.31876 
1 1 1 -14 -7  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 -6  1  o 283.4188 24.01571 17.58099       4.128345  18.38043       4.238847  -6.288055      49.12948 
1 1 1 -14 -6  2  o 300.6704 25.03106 19.78115       4.562112  20.68651       4.693248  -6.688629      51.17598 
1 1 1 -14 -6  3  o 508.2393 38.50529 0.000000       0.000000  58.91323       8.520139  ?              ?        
1 1 1 -14 -6  4  o 746.5466 18.23115 116.3628       8.216838  131.3302       8.688520  -45.08759      36.72161 
1 1 1 -14 -6  5  o 359.4826 22.04383 27.29343       4.925590  30.55476       4.859118  -21.31989      44.96238 
1 1 1 -14 -6  6  o 199.4343 34.03455 8.313659       4.036921  10.51962       4.082546  -24.13162      67.76636 
1 1 1 -14 -6  7  o 108.3207 41.44442 4.592733       4.002333  0.9373852E-01  3.781543  37.92841       67.55627 
1 1 1 -14 -6  8  o 398.0588 20.50045 37.70195       5.213815  34.38043       4.891594  17.66760       41.90059 
1 1 1 -14 -6  9  o 115.7008 41.98370 4.440620       3.840170  1.658987       3.935105  22.50240       68.31786 
1 1 1 -14 -6  10 o 265.7452 27.09449 13.53908       4.190964  20.65130       4.653309  -59.91063      58.05159 
1 1 1 -14 -6  11 f 129.9000 42.58091 4.716347       3.891470  4.371892       4.029363  2.803360       70.37633 
1 1 1 -14 -6  12 o 99.00681 44.75027 0.000000       0.000000  0.1705709      4.148006  ?              ?        
1 1 1 -14 -6  13 o 95.83721 43.32260 1.435093       5.557832  -1.001458      5.443348  10.68638       70.37652 
1 1 1 -14 -5  1  o 687.6034 17.18530 106.0875       7.410691  102.7926       7.252127  10.75775       34.56718 
1 1 1 -14 -5  2  o 597.8964 25.29727 79.63937       6.619397  0.000000       0.000000  ?              ?        
1 1 1 -14 -5  3  o 488.7267 18.76179 55.00015       5.718758  50.78433       5.636921  19.68570       37.78492 
1 1 1 -14 -5  4  o 355.4420 21.82625 32.44335       4.892175  24.21803       4.692504  53.13571       44.57493 
1 1 1 -14 -5  5  o 584.2900 18.28892 75.15439       6.528148  76.44600       6.717104  -4.671814      36.85859 
1 1 1 -14 -5  6  o 237.2585 41.25512 13.52915       4.137607  0.000000       0.000000  ?              ?        
1 1 1 -14 -5  7  o 194.7074 33.92194 6.800703       3.924262  11.30817       3.972794  -49.77902      66.56967 
1 1 1 -14 -5  8  o 119.3462 42.21346 4.430305       4.043828  2.305845       3.775175  19.99538       69.38419 
1 1 1 -14 -5  9  o 337.6572 26.29167 25.17513       4.671489  29.33053       6.871795  -11.26785      58.58620 
1 1 1 -14 -5  10 o 113.5267 41.68910 6.659515       3.973246  -0.2127781     3.736146  58.06925       66.57381 
1 1 1 -14 -5  11 o 208.3861 34.18996 12.38066       4.326113  9.556040       4.209229  29.16350       70.09513 
1 1 1 -14 -5  12 o 66.77509 31.96634 -3.383181      3.652339  -2.175385      3.893290  -7.837791      55.08245 
1 1 1 -14 -5  13 o 138.2610 43.06890 7.281355       4.076347  3.605426       4.102963  32.58141       71.03767 
1 1 1 -14 -5  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 -4  1  o 376.9302 19.55157 31.21310       4.654584  31.79361       4.463194  -3.921967      39.53624 
1 1 1 -14 -4  2  o 326.8271 21.86394 27.78099       4.522018  20.18231       4.300609  53.40555       44.73650 
1 1 1 -14 -4  3  o 355.4692 21.51108 28.78254       4.784914  27.43401       4.659770  8.512604       43.55563 
1 1 1 -14 -4  4  o 494.5441 19.41430 58.01413       6.050862  50.67068       5.843117  33.75052       39.14505 
1 1 1 -14 -4  5  f 510.3463 26.09477 58.47091       5.822045  0.000000       0.000000  ?              ?        
1 1 1 -14 -4  6  o 70.07977 32.87169 -5.074094      3.535101  0.5148745      3.690771  -31.46150      57.75087 
1 1 1 -14 -4  7  o 269.1804 25.28928 16.90364       4.116388  16.12584       4.232629  7.510223       52.59567 
1 1 1 -14 -4  8  o 137.0726 42.07721 5.436657       3.911581  3.866713       3.928755  15.13712       70.82942 
1 1 1 -14 -4  9  o 85.42010 38.77480 0.6504425E-01  3.624311  -4.404213      6.406453  -8.359962      66.47944 
1 1 1 -14 -4  10 o 236.6942 28.99752 18.16376       4.301172  9.063491       4.047885  89.02173       61.98742 
1 1 1 -14 -4  11 o 129.0757 42.34426 3.481392       3.904078  5.371499       3.924824  -16.96310      69.88085 
1 1 1 -14 -4  12 o 65.65324 31.62304 -0.3034951     3.865740  -5.909503      3.770912  23.63439       55.30697 
1 1 1 -14 -4  13 o 76.69333 35.47649 -0.5459766     3.917658  -1.726673      4.043437  4.254295       59.09052 
1 1 1 -14 -4  14 o 73.86278 35.11805 -8.253687      4.912817  1.627655       4.000129  -27.78238      59.11712 
1 1 1 -14 -3  1  o 1127.252 20.35415 282.4782       14.29932  280.0747       14.16719  4.686523       40.94649 
1 1 1 -14 -3  2  o 848.2944 17.95788 152.9889       9.270924  165.5989       9.639229  -33.50226      36.11422 
1 1 1 -14 -3  3  o 198.7133 34.55988 5.650350       4.020135  12.91803       4.196458  -77.54605      66.25336 
1 1 1 -14 -3  4  o 474.0992 18.96105 53.88924       5.700581  46.04900       5.438796  37.52887       38.21738 
1 1 1 -14 -3  5  o 293.8514 24.27239 18.01118       4.286114  20.89501       4.491058  -22.30588      49.75442 
1 1 1 -14 -3  6  o 690.1288 17.09858 103.2974       7.267625  107.9210       7.373363  -15.15601      34.45947 
1 1 1 -14 -3  7  o 155.8439 39.61710 6.907825       3.800607  4.904901       3.875738  21.46571       70.01105 
1 1 1 -14 -3  8  o 292.3358 29.21324 15.68907       6.574348  21.75893       4.468828  -65.88927      71.10763 
1 1 1 -14 -3  9  o 80.50137 37.33252 -2.303172      3.598418  -0.5811309     6.475332  -36.16527      67.84070 
1 1 1 -14 -3  10 o 245.5647 28.30454 13.80039       4.062921  14.82485       4.425959  -6.644974      60.27468 
1 1 1 -14 -3  11 o 73.18974 34.03339 -1.940626      3.548054  -1.203972      3.955603  -8.353996      57.83184 
1 1 1 -14 -3  12 o 149.3168 41.96287 7.958174       3.997287  4.313340       4.098967  35.13605       71.19898 
1 1 1 -14 -3  13 o 131.0991 42.54675 4.108267       3.961929  5.578711       3.952479  -12.90182      70.13849 
1 1 1 -14 -3  14 o 228.8702 31.37350 12.45847       4.313656  14.20815       4.360895  -17.68555      67.93934 
1 1 1 -14 -2  1  o 480.8122 17.38444 55.43557       5.323047  47.21815       5.041443  38.75275       34.98244 
1 1 1 -14 -2  2  o 525.7256 17.25198 61.44656       5.652279  60.80370       5.585462  2.700562       34.69941 
1 1 1 -14 -2  3  o 107.2943 40.96253 2.388932       3.859994  1.454200       3.727440  9.192627       67.64548 
1 1 1 -14 -2  4  o 777.8962 18.07674 129.7949       8.559235  137.9449       8.896208  -23.51636      36.36196 
1 1 1 -14 -2  5  o 76.96633 35.47164 -1.031395      3.842436  -3.005990      4.013515  8.037437       61.02381 
1 1 1 -14 -2  6  o 87.41209 37.74795 -0.5862976     3.648360  0.5109689      3.835641  -9.706436      63.28046 
1 1 1 -14 -2  7  o 226.6051 28.31130 11.07887       3.842778  12.60943       3.945390  -15.45699      58.99705 
1 1 1 -14 -2  8  o 155.4846 50.31679 0.000000       0.000000  6.116006       3.915142  ?              ?        
1 1 1 -14 -2  9  o 188.3433 40.60105 7.901412       3.864928  11.55174       6.038874  -26.28004      79.19978 
1 1 1 -14 -2  10 o 121.1911 41.93277 3.164340       3.658727  4.170105       4.046207  -10.65076      69.10349 
1 1 1 -14 -2  11 o 146.5352 40.88422 3.561130       3.718160  8.192680       4.011677  -46.33387      69.47018 
1 1 1 -14 -2  12 o 135.4992 42.78540 5.209594       3.967570  4.959383       4.079232  2.219147       71.23360 
1 1 1 -14 -2  13 o 90.17287 38.83689 1.663737       3.840220  -0.2699127E-01 4.041259  8.367935       63.15311 
1 1 1 -14 -2  14 o 99.89131 40.99010 7.191503       3.998001  -3.273138      4.130969  66.67320       64.30223 
1 1 1 -14 -2  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 -1  1  o 309.6471 21.42017 20.69986       4.056130  21.99786       4.122767  -9.576813      43.48951 
1 1 1 -14 -1  2  o 147.9582 38.48457 3.971456       3.516775  6.413391       3.615393  -27.69197      67.31599 
1 1 1 -14 -1  3  f 637.3156 17.24081 89.02818       6.749758  90.60588       6.871314  -5.489014      34.65742 
1 1 1 -14 -1  4  o 736.7471 17.85979 122.0221       8.208174  117.8926       8.117131  12.71545       35.93032 
1 1 1 -14 -1  5  o 363.1281 22.74675 29.08875       5.045985  29.79366       5.151869  -4.228027      46.18265 
1 1 1 -14 -1  6  o 193.9834 34.60313 8.569581       3.956991  9.083589       4.067519  -5.434235      68.09712 
1 1 1 -14 -1  7  o 354.3037 21.07952 29.33574       4.576775  26.93457       4.647957  16.01865       42.96728 
1 1 1 -14 -1  8  o 106.6058 43.31392 -3.435388      5.712719  3.811298       3.809053  -25.39590      69.96590 
1 1 1 -14 -1  9  o 364.4112 21.37008 31.86511       4.740065  28.31476       4.882169  23.60873       43.97348 
1 1 1 -14 -1  10 o 96.38989 39.53149 2.905371       3.794415  -0.1318419     3.758235  21.71625       64.51939 
1 1 1 -14 -1  11 o 272.6808 26.28017 17.79248       4.324467  17.29063       4.459191  5.846558       55.88582 
1 1 1 -14 -1  12 o 83.70921 37.10408 2.031302       3.847313  -1.925964      3.804961  22.88415       61.29264 
1 1 1 -14 -1  13 o 225.7919 31.07587 13.79325       4.164485  11.72249       4.314017  24.14320       66.89474 
1 1 1 -14 -1  14 o 115.0653 42.50029 6.583703       4.046650  0.9716970      3.974703  42.22578       67.50149 
1 1 1 -14 -1  15 f 134.3208 42.72342 5.002701       4.024139  5.941073       3.984573  -8.157150      70.38663 
1 1 1 -14 0   1  o 308.9969 21.57014 21.26615       4.208419  21.24920       4.015452  -0.3298950     43.85846 
1 1 1 -14 0   2  o 242.1250 26.33969 12.94769       3.897129  13.50538       3.887701  -5.488892      54.49575 
1 1 1 -14 0   3  o 522.5176 17.44513 63.21355       5.694743  57.70742       5.599535  24.02621       35.11562 
1 1 1 -14 0   4  o 142.6293 41.84088 5.004241       4.045060  4.513293       3.846717  6.041336       71.52949 
1 1 1 -14 0   5  o 354.6131 23.13028 29.00706       5.046527  27.16189       5.074162  12.16696       47.04866 
1 1 1 -14 0   6  o 291.7739 24.36901 15.84620       4.178775  23.19125       4.591032  -57.34744      50.40768 
1 1 1 -14 0   7  o 225.1069 30.14726 12.02809       4.093062  11.41662       4.114983  6.515472       62.58448 
1 1 1 -14 0   8  o 259.7540 25.93639 12.84035       4.086431  18.21639       4.161261  -49.04921      54.96265 
1 1 1 -14 0   9  o 126.8335 41.69330 5.851859       3.816794  2.047635       3.772008  35.68435       68.45061 
1 1 1 -14 0   10 o 246.2825 28.49989 14.68135       4.210556  14.17757       4.339955  6.290741       60.87415 
1 1 1 -14 0   11 o 186.1290 35.60588 11.38415       3.980626  6.139995       3.942255  57.18816       67.97151 
1 1 1 -14 0   12 o 66.69688 31.77651 -1.707105      3.661971  -3.238601      3.597769  7.410812       54.51737 
1 1 1 -14 0   13 o 109.4237 41.25859 0.2023892      3.734896  6.228696       3.907351  -47.00980      65.77281 
1 1 1 -14 0   14 o 92.85188 39.26259 -1.436782      3.818240  4.674442       3.974532  -38.67913      63.36174 
1 1 1 -14 0   15 o 121.4215 42.32832 5.188046       3.927083  3.680888       3.901345  12.01020       68.23860 
1 1 1 -14 1   1  o 342.8943 19.97789 25.53774       4.318593  26.63867       4.148492  -7.780975      40.49580 
1 1 1 -14 1   2  o 366.3470 19.42154 29.75084       4.442917  29.85372       4.354081  -0.8376465     39.25756 
1 1 1 -14 1   3  o 467.4722 17.69467 44.26674       5.022181  52.86303       5.227777  -41.85342      35.67900 
1 1 1 -14 1   4  o 401.6846 19.91335 33.08686       4.827224  38.84177       5.074878  -32.49707      40.23620 
1 1 1 -14 1   5  o 137.7068 44.78934 7.173884       4.414589  1.510738       4.354076  50.93208       73.16015 
1 1 1 -14 1   6  o 80.01144 35.96115 -0.7991858     3.696645  -1.310758      3.758943  2.176292       61.05816 
1 1 1 -14 1   7  o 167.8909 37.13496 7.316419       3.677860  6.182653       3.858173  12.88899       68.70609 
1 1 1 -14 1   8  o 225.2270 29.09550 11.76016       3.953465  11.85995       3.987023  -0.8329468     60.81876 
1 1 1 -14 1   9  o 92.02439 38.40546 2.105844       3.601477  -0.4845385     3.701372  17.17381       63.14999 
1 1 1 -14 1   10 o 298.6987 24.05038 20.41642       4.344200  21.06290       4.497022  -3.869080      50.27053 
1 1 1 -14 1   11 o 177.8462 37.30154 6.476892       3.901286  9.883632       4.071278  -36.12772      70.21304 
1 1 1 -14 1   12 o 102.6756 40.94439 1.353888       3.893765  3.099722       3.956775  -12.62167      66.14473 
1 1 1 -14 1   13 o 85.77937 37.28594 0.4604504      3.576845  0.9136167      3.828233  -4.739525      60.75847 
1 1 1 -14 1   14 o 84.75691 37.26449 0.5513797      3.863832  0.5543369      3.711203  1.177399       60.57701 
1 1 1 -14 1   15 o 82.98399 36.93284 3.428131       3.960814  -2.188550      3.710848  32.00716       60.55936 
1 1 1 -14 2   1  o 300.0263 21.71082 19.11747       4.050655  20.98852       3.977005  -14.71408      44.27511 
1 1 1 -14 2   2  o 309.5579 21.79018 21.79493       4.227292  21.00282       4.091115  5.580383       44.32162 
1 1 1 -14 2   3  o 407.8087 19.26695 34.26284       4.855131  39.58982       4.865327  -30.10568      39.00331 
1 1 1 -14 2   4  o 364.7139 20.77570 33.88261       4.887897  25.95025       4.498055  49.24634       42.12225 
1 1 1 -14 2   5  o 65.44224 32.20193 -6.240803      4.707643  -6.849832      4.484408  4.991966       58.18059 
1 1 1 -14 2   6  o 264.7310 26.88178 17.54354       4.435428  14.40327       4.275624  27.42798       55.90415 
1 1 1 -14 2   7  o 219.5915 30.29568 10.54811       4.100904  11.77496       3.937948  -13.96199      62.85400 
1 1 1 -14 2   8  o 435.2252 19.10412 43.72367       5.274047  41.35474       5.025264  11.62778       38.76553 
1 1 1 -14 2   9  o 94.75496 39.14737 -0.7640739     3.819540  2.760771       3.663361  -23.33150      64.05810 
1 1 1 -14 2   10 o 260.5007 27.00883 17.35891       4.240520  14.63964       4.364582  26.66963       57.94689 
1 1 1 -14 2   11 o 84.47114 36.91732 0.3412495      3.593802  0.3162795E-01  3.741890  0.3706970      60.93254 
1 1 1 -14 2   12 o 88.40345 38.01740 -1.946417      3.642903  3.844792       3.892780  -38.62423      62.44910 
1 1 1 -14 2   13 o 91.45343 38.50443 -0.2689610     3.660805  3.120916       3.780051  -22.49554      62.27649 
1 1 1 -14 2   14 f 101.7284 40.17636 4.228353       3.761694  0.8647021      3.727581  23.98322       64.23244 
1 1 1 -14 2   15 o 125.6119 42.35032 5.923612       3.976483  3.879282       3.846115  16.53542       68.61456 
1 1 1 -14 2   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 3   1  o 611.1471 16.96297 88.82792       6.717158  77.34127       6.167149  42.12036       34.10686 
1 1 1 -14 3   2  o 703.2395 17.31370 103.7655       7.527843  115.0581       7.578062  -36.75433      34.88729 
1 1 1 -14 3   3  o 182.5971 36.91044 8.968425       4.143612  6.806167       3.937953  23.78371       69.85222 
1 1 1 -14 3   4  o 199.9158 33.41434 10.58159       4.128089  8.064384       3.878821  27.21484       66.38881 
1 1 1 -14 3   5  o 537.3860 19.46049 71.97401       6.844317  57.78728       6.162207  59.02786       39.24197 
1 1 1 -14 3   6  o 451.7639 18.98941 50.92201       5.648280  41.11104       5.025508  48.19452       38.37002 
1 1 1 -14 3   7  o 329.5464 21.96948 22.76076       4.541890  26.03959       4.392746  -23.89212      45.15606 
1 1 1 -14 3   8  o 457.4704 18.63574 49.49231       5.446272  44.63813       5.123230  23.25665       37.78477 
1 1 1 -14 3   9  o 122.5002 41.71125 3.024080       3.973979  4.123744       3.635014  -8.066498      68.79078 
1 1 1 -14 3   10 o 312.2190 27.83196 22.18081       4.676072  24.90594       6.380576  -2.924469      62.04728 
1 1 1 -14 3   11 o 266.6563 27.08439 14.56638       4.464612  19.25618       4.372827  -44.15916      58.92238 
1 1 1 -14 3   12 o 137.8483 42.76031 4.498589       4.010809  6.221830       4.061430  -15.52147      71.31163 
1 1 1 -14 3   13 o 104.5718 40.95921 1.868420       3.874389  3.576541       3.853498  -11.94362      65.57043 
1 1 1 -14 3   14 o 81.07641 36.64976 0.5043073      4.058857  -0.5898756     3.823430  7.304871       59.99585 
1 1 1 -14 3   15 o 76.80285 35.35104 2.856699       4.051828  -3.227890      3.730048  31.02764       58.84632 
1 1 1 -14 3   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 4   1  o 375.4165 19.54205 30.08752       4.644817  32.44956       4.433104  -15.02335      39.66051 
1 1 1 -14 4   2  o 85.06005 36.28409 4.092974       3.658772  -2.846265      3.149728  59.62644       60.94730 
1 1 1 -14 4   3  o 510.2851 18.40406 50.25656       5.692574  65.85439       5.948009  -69.72629      37.24124 
1 1 1 -14 4   4  o 529.9179 18.10383 63.00084       6.120992  61.52109       5.778463  5.779663       36.49230 
1 1 1 -14 4   5  o 381.5635 23.58789 33.29053       5.672824  32.01479       5.445661  7.070038       47.99522 
1 1 1 -14 4   6  o 640.3755 18.03102 92.30540       7.342724  90.18655       6.981868  6.696289       36.38465 
1 1 1 -14 4   7  o 337.5124 21.80070 25.74820       4.637453  25.60314       4.448272  0.1997070      44.55585 
1 1 1 -14 4   8  o 255.8584 26.87340 13.76280       4.147288  16.61130       4.258110  -25.93573      56.57477 
1 1 1 -14 4   9  o 65.67345 31.26856 -0.6168876     3.702840  -4.394789      3.331794  22.90988       55.08561 
1 1 1 -14 4   10 o 82.13359 37.64289 -1.910597      3.750059  0.4429402      5.325381  -26.03016      64.95771 
1 1 1 -14 4   11 o 130.4928 42.32694 2.428734       3.943021  6.705101       3.890933  -38.13486      69.04338 
1 1 1 -14 4   12 o 124.1576 42.66905 8.218343       4.136319  0.9311128      3.824806  61.52808       67.98531 
1 1 1 -14 4   13 o 310.0649 24.31306 19.78386       4.606361  26.78540       4.672321  -54.52475      53.06321 
1 1 1 -14 4   14 o 102.5854 40.84185 2.727421       4.033704  2.657055       3.776952  1.449036       65.10571 
1 1 1 -14 4   15 o 80.42085 36.35455 0.4819446      3.931381  0.3275706E-01  3.817295  2.935455       58.75851 
1 1 1 -14 4   16 o 76.53112 35.37728 0.4123063      4.039203  -0.9048921     3.860658  6.832886       57.39350 
1 1 1 -14 5   1  o 217.6468 29.16349 10.90489       4.042316  10.75628       3.662499  0.8802795E-01  60.37258 
1 1 1 -14 5   2  o 617.4468 17.82891 87.26617       7.060896  81.98718       6.605078  18.77173       35.90144 
1 1 1 -14 5   3  o 492.3349 18.70398 55.88291       5.930051  51.93029       5.498225  17.59335       37.72371 
1 1 1 -14 5   4  o 434.2227 19.92695 40.80597       5.513888  42.93028       5.205717  -12.00458      40.40736 
1 1 1 -14 5   5  o 359.9561 21.40963 29.94138       4.959449  28.16315       4.580905  10.28271       43.54193 
1 1 1 -14 5   6  o 348.0703 21.64631 30.00202       4.962683  25.04257       4.390903  30.87195       44.12062 
1 1 1 -14 5   7  o 495.0070 18.51930 50.94115       5.673209  58.68682       5.679931  -36.14288      37.59103 
1 1 1 -14 5   8  o 379.4158 20.67999 27.25401       4.808604  38.08222       4.890086  -66.33984      42.85210 
1 1 1 -14 5   9  o 205.4376 37.99173 10.18041       6.049918  10.75084       3.932950  -18.58878      77.43226 
1 1 1 -14 5   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 5   11 o 167.9666 37.22523 5.982368       4.014334  8.535314       3.576663  -30.41695      68.74545 
1 1 1 -14 5   12 o 276.6510 25.61861 17.08291       4.440471  19.77447       4.258327  -26.59692      55.80035 
1 1 1 -14 5   13 o 111.6025 42.02749 2.960917       4.106188  4.016837       3.826731  -6.980698      67.04636 
1 1 1 -14 5   14 o 229.1165 32.09603 14.24160       4.625999  13.50109       4.268914  0.7507172      70.48759 
1 1 1 -14 5   15 o 68.64671 32.70733 -6.014600      3.952303  2.137613       3.748417  -30.04007      55.16354 
1 1 1 -14 5   16 o 83.03944 37.17511 2.753498       4.051904  -0.7693534     3.837628  17.94680       59.48759 
1 1 1 -14 6   1  o 122.2819 42.24893 3.657341       4.005476  2.798524       3.793922  9.529022       70.09078 
1 1 1 -14 6   2  o 261.4994 26.82981 17.73672       4.505762  13.56540       4.103415  36.05475       55.55703 
1 1 1 -14 6   3  o 142.1641 42.02836 3.889228       4.218146  5.443573       3.752023  -13.01663      71.46992 
1 1 1 -14 6   4  f 292.3488 27.19087 17.44956       5.067197  21.01288       4.702300  -30.55850      57.26001 
1 1 1 -14 6   5  o 148.4662 41.28078 5.710223       4.129600  5.020391       3.772700  8.247208       71.59870 
1 1 1 -14 6   6  o 478.5326 19.38463 52.95903       6.082807  49.83764       5.453235  12.91077       39.38956 
1 1 1 -14 6   7  o 179.6527 36.84227 7.067748       4.082995  8.606985       3.861973  -17.72073      69.93851 
1 1 1 -14 6   8  o 330.0895 22.56515 29.44858       4.882470  21.30113       4.349041  54.42197       46.59327 
1 1 1 -14 6   9  o 315.2274 33.57923 0.000000       0.000000  24.19801       4.571587  ?              ?        
1 1 1 -14 6   10 o 87.94890 39.58881 0.8570662      3.911947  -2.574876      5.605301  1.338196       65.44542 
1 1 1 -14 6   11 o 233.9057 29.98054 12.47570       4.342512  14.45550       4.163498  -23.02663      64.92747 
1 1 1 -14 6   12 o 234.1923 30.97845 14.03825       4.386324  13.83539       4.393901  2.239365       67.58495 
1 1 1 -14 6   13 o 300.4798 24.79707 21.66328       4.848994  22.56850       4.352888  -16.12289      54.65935 
1 1 1 -14 6   14 o 154.7340 40.75005 6.579117       4.141174  7.775327       3.809109  -14.27139      71.17423 
1 1 1 -14 6   15 o 96.64600 39.86712 5.485682       4.239791  0.4857932      3.582237  31.88484       63.63076 
1 1 1 -14 6   16 o 130.0257 43.13894 8.125089       4.390204  4.350094       3.792725  25.22807       69.46347 
1 1 1 -14 7   1  o 353.9293 22.06878 28.98483       4.977021  27.06564       4.678944  11.76315       44.82263 
1 1 1 -14 7   2  o 97.98064 39.92812 3.180061       3.952040  -0.9039114     3.704109  33.60998       66.05885 
1 1 1 -14 7   3  o 220.9097 36.43924 15.58007       5.103015  8.085804       4.578523  72.61575       71.78584 
1 1 1 -14 7   4  o 272.9246 26.34550 17.92815       4.562549  16.04168       4.262606  14.96747       54.60159 
1 1 1 -14 7   5  o 102.3326 40.97649 -0.7397158     4.062251  3.480580       3.841933  -28.92229      66.86726 
1 1 1 -14 7   6  o 83.04693 36.78144 -0.8959018     3.942674  -0.1640912     3.587292  0.7781982E-02  61.76748 
1 1 1 -14 7   7  o 127.4429 41.95009 1.924925       3.943872  5.804343       3.745021  -34.63303      68.61072 
1 1 1 -14 7   8  o 151.3809 40.41763 5.911706       4.108640  5.897809       3.662853  -0.4541016E-01 70.94817 
1 1 1 -14 7   9  o 177.8742 48.44515 0.000000       0.000000  8.906332       3.881169  ?              ?        
1 1 1 -14 7   10 o 72.71196 34.16591 0.9765281      4.031439  -4.449818      3.835517  26.56706       58.44882 
1 1 1 -14 7   11 o 121.4193 43.17453 4.938406       4.331904  3.377573       3.879430  13.21149       70.15158 
1 1 1 -14 7   12 o 101.4384 40.94813 1.712474       4.037585  3.154028       3.917534  -8.833473      65.34132 
1 1 1 -14 7   13 o 84.46861 37.54326 2.063983       4.139390  -0.4393443     3.773757  15.04181       60.73277 
1 1 1 -14 7   14 o 118.3206 42.11226 2.605872       4.077800  6.012381       3.724578  -25.86049      66.55319 
1 1 1 -14 7   15 o 111.7441 41.82914 3.930302       4.155168  4.425556       3.702390  -3.849312      65.58930 
1 1 1 -14 7   16 o 82.41391 36.88715 2.081355       4.031270  0.3084695      3.739815  9.507660       58.35771 
1 1 1 -14 8   1  o 212.5238 32.93785 11.22074       4.313405  9.765476       4.098581  14.79997       66.74480 
1 1 1 -14 8   2  o 484.1979 20.41184 53.01805       6.292686  51.55928       5.955452  6.072632       41.29881 
1 1 1 -14 8   3  o 74.10733 34.54961 -1.718055      3.951041  -2.844355      3.829916  7.333977       59.71184 
1 1 1 -14 8   4  o 388.1636 21.32220 36.23873       5.282949  31.71303       4.960955  25.84711       43.36363 
1 1 1 -14 8   5  o 106.3036 45.08573 0.000000       0.000000  0.8532260      3.649046  ?              ?        
1 1 1 -14 8   6  o 103.1228 40.99680 0.3068505      4.110927  2.946356       3.758979  -16.17973      66.88178 
1 1 1 -14 8   7  o 148.8146 41.56104 3.340324       4.121963  7.761918       3.857580  -43.33238      70.09083 
1 1 1 -14 8   8  o 89.38845 38.64882 -3.872249      4.122110  3.996248       3.759991  -44.28664      62.93788 
1 1 1 -14 8   9  o 198.3862 41.11634 9.135858       6.870655  11.04943       4.005285  -35.95273      79.70230 
1 1 1 -14 8   10 o 102.7826 40.49576 0.9955454      3.906346  3.638844       3.694775  -17.74519      65.02213 
1 1 1 -14 8   11 o 180.7015 38.56137 7.666730       4.344323  10.08104       4.052333  -27.92471      72.72575 
1 1 1 -14 8   12 o 128.6928 43.54097 2.572773       4.261410  7.413020       4.014898  -38.24074      69.34837 
1 1 1 -14 8   13 f 154.5210 41.83627 8.160590       4.411044  6.978087       3.859452  5.751480       72.61609 
1 1 1 -14 8   14 o 97.31148 40.22914 5.850911       4.230237  0.9752908E-01  3.722161  35.69942       64.00163 
1 1 1 -14 8   15 o 132.0390 43.45005 5.349798       4.197523  7.048176       4.047119  -13.70742      69.39915 
1 1 1 -14 8   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 9   1  o 282.7817 28.07993 15.79095       4.909607  20.55659       4.813130  -40.69043      59.20696 
1 1 1 -14 9   2  o 397.2263 21.33503 39.83018       5.442318  31.52003       5.054777  47.08569       43.39165 
1 1 1 -14 9   3  o 243.8365 29.23729 15.41070       4.373004  12.13037       4.296527  31.62273       61.37698 
1 1 1 -14 9   4  o 138.3694 42.47656 6.095181       4.101567  3.422575       3.896083  26.56793       71.38850 
1 1 1 -14 9   5  o 381.2141 22.13652 38.27575       5.530715  28.72315       4.943079  55.22446       45.33847 
1 1 1 -14 9   6  o 297.3624 24.02353 21.20366       4.561843  19.61644       4.242854  10.41153       49.94933 
1 1 1 -14 9   7  o 160.7832 39.76023 4.300765       4.168951  8.618194       3.750402  -45.22327      69.51174 
1 1 1 -14 9   8  o 118.2446 42.05916 3.715325       3.937155  3.365169       3.823059  3.401176       68.65131 
1 1 1 -14 9   9  o 438.4041 21.37029 40.44294       5.853103  49.09685       5.736973  -48.10983      44.80165 
1 1 1 -14 9   10 o 273.0903 27.21563 17.78293       4.782587  18.58303       4.346791  -13.84317      59.82964 
1 1 1 -14 9   11 o 194.7541 36.33998 7.411143       4.484404  12.66330       4.012439  -60.24132      70.40926 
1 1 1 -14 9   12 o 104.1146 41.12244 3.116186       4.172071  3.003119       3.714256  1.878761       65.16087 
1 1 1 -14 9   13 o 112.7560 41.97454 1.226656       4.101713  6.598661       3.770417  -37.42384      65.26444 
1 1 1 -14 9   14 o 73.44533 34.34124 -3.074320      4.017061  1.782929       3.771101  -17.87091      55.76347 
1 1 1 -14 9   15 o 71.80112 34.15516 -2.042631      4.608055  -0.2179847     3.821678  -1.490555      55.16013 
1 1 1 -14 10  1  o 230.0345 32.61609 10.26235       4.561978  14.45184       4.486590  -42.79959      67.60555 
1 1 1 -14 10  2  o 631.6177 19.41706 87.40001       7.592138  91.18597       7.605235  -13.79095      39.29964 
1 1 1 -14 10  3  o 87.14603 38.34896 -2.014198      4.066025  1.328728       3.969616  -18.77335      64.06093 
1 1 1 -14 10  4  o 381.0029 21.98642 37.07225       5.480747  29.63842       4.914087  42.40833       45.00890 
1 1 1 -14 10  5  o 119.4862 42.53963 2.882819       4.034777  3.805299       3.906002  -7.009735      69.70863 
1 1 1 -14 10  6  o 100.1014 40.58303 2.059807       3.997303  1.263288       3.855829  6.767647       66.23850 
1 1 1 -14 10  7  o 202.8819 34.68156 6.069134       4.157097  14.80413       4.260902  -90.51149      67.07944 
1 1 1 -14 10  8  o 73.37920 34.28820 -2.469710      3.890718  -0.7707409     3.841707  -7.236725      57.73145 
1 1 1 -14 10  9  o 148.7374 42.89773 9.683985       4.542627  4.036755       3.885033  49.34272       72.56477 
1 1 1 -14 10  10 o 85.23972 37.68736 -2.443948      4.118095  2.882783       3.753254  -25.66888      61.12799 
1 1 1 -14 10  11 o 88.16859 38.30247 4.394265       4.280765  -1.123694      3.598914  35.04742       62.71134 
1 1 1 -14 10  12 o 219.1034 32.87320 12.92848       4.569141  13.39784       4.125269  -14.94238      71.80686 
1 1 1 -14 10  13 o 84.53275 37.50593 3.041439       4.171965  -0.4256056     3.706766  19.40183       60.13657 
1 1 1 -14 10  14 o 88.08431 39.89231 -0.9319603E-01 5.983029  2.516124       3.983420  -3.795212      61.85659 
1 1 1 -14 10  15 o 85.37360 40.28606 1.405177       5.849494  0.8022821      5.324384  2.733803       62.04243 
1 1 1 -14 11  1  o 195.2825 37.94748 6.920275       4.505728  11.54915       4.360267  -48.76955      72.26398 
1 1 1 -14 11  2  o 163.8690 43.07159 4.806400       4.559431  8.638889       4.320159  -37.12518      74.64850 
1 1 1 -14 11  3  o 306.8037 39.38019 23.18543       5.177501  0.000000       0.000000  ?              ?        
1 1 1 -14 11  4  o 125.6347 43.52268 5.343336       4.343194  2.690488       3.954055  24.16392       71.57614 
1 1 1 -14 11  5  o 122.2395 42.95053 3.214265       4.242426  4.143322       3.855286  -5.964561      70.28334 
1 1 1 -14 11  6  o 80.10851 36.16197 0.1396423      4.001560  -1.234770      3.654517  11.12974       60.49643 
1 1 1 -14 11  7  o 98.78754 40.60582 3.765105       4.025033  -0.1109732     3.967035  25.82104       65.57626 
1 1 1 -14 11  8  o 209.1358 34.55014 13.40546       4.497541  9.785872       4.172446  33.99182       71.45540 
1 1 1 -14 11  9  o 98.65401 40.68460 5.003960       4.331866  -0.2105271     3.781273  36.11272       65.90960 
1 1 1 -14 11  10 o 77.38786 35.52612 -1.395519      4.170530  0.2533938      3.649001  -3.341400      58.19794 
1 1 1 -14 11  11 o 78.39492 36.15741 2.283271       4.275962  -2.431211      3.925392  22.85286       59.38153 
1 1 1 -14 11  12 o 86.63155 38.55410 4.039120       4.459358  -0.7952648     3.935136  24.67160       61.67501 
1 1 1 -14 11  13 o 113.8164 48.43352 1.169106       6.283895  8.956989       5.733008  -29.90117      72.54261 
1 1 1 -14 11  14 o 135.1807 51.57287 10.64924       6.233219  7.898789       5.805805  9.240700       75.74725 
1 1 1 -14 11  15 o 61.14259 30.78269 -8.487003      5.516577  -4.251038      5.154259  -4.983475      51.07712 
1 1 1 -14 12  1  o 249.3645 30.86802 18.07153       4.969837  12.17823       4.423681  51.60297       65.32866 
1 1 1 -14 12  2  o 111.5775 43.41706 0.4020651      4.561610  4.240242       4.110421  -23.89198      70.09251 
1 1 1 -14 12  3  o 218.3545 35.17282 10.24219       4.828511  13.10222       4.405242  -33.17812      72.32321 
1 1 1 -14 12  4  o 92.19899 39.79151 0.6263045      4.468444  0.5767490      3.890177  5.473610       65.50220 
1 1 1 -14 12  5  o 90.14065 39.15045 -1.874255      4.410250  2.320388       3.795279  -18.35452      63.81978 
1 1 1 -14 12  6  o 146.0514 42.63966 5.734050       4.331853  6.284237       3.906347  -6.059952      72.43919 
1 1 1 -14 12  7  o 89.70389 39.03003 -0.3460971     4.053390  2.143176       4.063243  -13.86576      63.22103 
1 1 1 -14 12  8  o 213.3132 35.41112 12.78260       4.765876  11.58108       4.311164  5.495346       74.04659 
1 1 1 -14 12  9  o 73.60907 34.77000 -4.169590      4.434343  0.3777522      3.943569  -13.44583      57.75278 
1 1 1 -14 12  10 o 125.7632 47.54940 2.965202       7.082650  6.507034       4.167076  -19.36813      73.32851 
1 1 1 -14 12  11 o 87.97723 41.78409 3.349666       6.182897  -3.547256      6.171833  18.17513       66.18456 
1 1 1 -14 12  12 o 86.07125 40.72267 3.079124       6.331263  -1.828033      5.319948  16.50137       64.60530 
1 1 1 -14 12  13 o 85.35321 40.38543 3.134663       6.174078  -0.6404362     5.266845  11.75983       62.68728 
1 1 1 -14 12  14 o 77.82545 36.97890 0.4175432      4.288728  -0.2278893     5.707537  -2.589546      57.89178 
1 1 1 -14 12  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 13  1  o 298.0997 27.02609 20.91286       5.178352  21.00222       4.737677  -5.075500      57.61806 
1 1 1 -14 13  2  f 124.6266 44.52974 2.967077       4.564959  4.809973       4.167528  -12.70425      72.30854 
1 1 1 -14 13  3  o 82.19607 37.39927 1.855977       4.441631  -2.903379      3.960816  28.73646       63.14261 
1 1 1 -14 13  4  o 133.3827 44.72190 6.456428       4.762769  3.948976       4.044933  20.82789       73.72928 
1 1 1 -14 13  5  o 130.2323 45.58677 2.613425       4.864889  6.821796       4.277073  -30.19083      72.66359 
1 1 1 -14 13  6  o 85.38868 38.52353 2.300192       4.664489  -1.665999      4.048299  23.47306       63.62194 
1 1 1 -14 13  7  o 103.6190 46.58421 -0.1746387     6.645603  2.759807       5.933857  -7.888184      73.77016 
1 1 1 -14 13  8  o 110.9860 48.64381 8.106340       7.279103  0.7801845E-01  5.784186  32.92460       77.34783 
1 1 1 -14 13  9  o 162.0816 55.07996 10.09005       7.303346  11.06979       6.088857  -12.75797      85.39758 
1 1 1 -14 13  10 o 105.3168 46.64442 5.204753       6.300763  2.274058       5.799485  10.60585       71.23885 
1 1 1 -14 13  11 o 97.46543 47.16945 1.906726       6.182702  0.000000       0.000000  ?              ?        
1 1 1 -14 13  12 o 79.19882 36.76524 -0.8314012     4.617929  1.428602       4.090897  -5.981270      57.97416 
1 1 1 -14 13  13 o 99.18436 44.82267 7.679913       6.763397  2.572968       5.274616  13.11530       66.63515 
1 1 1 -14 13  14 o 78.56223 38.03596 0.8059709      6.029252  -0.6152051E-02 5.418600  2.851128       58.24263 
1 1 1 -14 14  1  o 92.31914 43.10794 -6.088203      6.672790  1.566536       5.642132  -18.68938      71.01212 
1 1 1 -14 14  2  o 90.50819 42.32574 -0.3951450     6.488981  -2.319747      5.462932  13.21791       70.19186 
1 1 1 -14 14  3  o 199.5685 53.11436 25.21280       8.054358  6.261713       5.845838  114.6904       90.83076 
1 1 1 -14 14  4  o 155.7627 56.05530 6.611493       7.642386  10.18678       6.356000  -21.46492      87.26965 
1 1 1 -14 14  5  o 92.21561 43.34887 3.544012       6.903814  -4.561473      5.891890  30.33220       71.86303 
1 1 1 -14 14  6  o 179.3903 55.70653 7.881117       7.054985  14.98379       6.657464  -45.34207      89.20555 
1 1 1 -14 14  7  o 72.96478 36.10931 -8.813478      6.579703  -3.683460      5.657223  -4.882690      60.73854 
1 1 1 -14 14  8  o 79.15940 37.26385 -0.3608582     4.809323  -1.371653      4.621846  4.649506       60.46766 
1 1 1 -14 14  9  o 69.21342 34.01610 -3.442744      4.762990  -4.224657      5.453744  -2.399933      56.43050 
1 1 1 -14 14  10 o 80.03884 38.68159 -6.015284      6.496146  2.104447       5.332391  -14.40128      61.31557 
1 1 1 -14 14  11 o 93.90604 45.76862 1.429437       6.100773  0.000000       0.000000  ?              ?        
1 1 1 -14 14  12 o 77.99034 37.84462 3.360099       6.675520  -2.510216      5.091707  15.87129       59.66920 
1 1 1 -14 14  13 o 90.09466 42.10030 0.7190110E-01  6.155132  5.783553       5.549889  -14.04633      62.48362 
1 1 1 -14 14  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 15  1  o 107.2052 44.27215 3.670405       4.883604  1.665783       4.681345  12.10805       70.62135 
1 1 1 -14 15  2  o 121.4765 46.39106 4.722710       5.126604  3.935693       4.639042  5.733154       73.82391 
1 1 1 -14 15  3  o 87.89637 41.90615 -4.320527      6.441519  -0.3675856     6.233989  -10.02933      68.75602 
1 1 1 -14 15  4  o 110.0691 48.55365 2.329587       6.419457  3.036749       6.533541  -2.939888      76.00379 
1 1 1 -14 15  5  o 103.1197 45.76648 5.001309       6.420668  0.1347089      5.392072  21.82510       72.71611 
1 1 1 -14 15  6  o 151.8116 54.27319 11.14803       6.747297  7.761295       6.218623  14.85625       83.81104 
1 1 1 -14 15  7  o 77.02074 37.49043 -1.877574      6.098155  -3.739337      5.433692  7.918785       61.38477 
1 1 1 -14 15  8  o 180.6729 53.46181 15.99368       7.088271  11.68627       5.899696  10.40305       86.45455 
1 1 1 -14 15  9  o 79.29805 38.49083 3.411310       6.513062  -4.738215      5.486823  21.77500       62.17328 
1 1 1 -14 15  10 o 101.3407 48.18466 0.000000       0.000000  4.376427       5.841053  ?              ?        
1 1 1 -14 15  11 o 77.08218 38.14733 -1.736609      4.787944  0.000000       0.000000  ?              ?        
1 1 1 -14 15  12 o 80.63427 37.40881 0.4705665      4.794790  2.421954       4.208501  -5.217232      57.08479 
1 1 1 -14 15  13 o 84.07507 38.12573 1.989406       4.488008  3.297903       4.133393  -4.513023      56.96889 
1 1 1 -14 16  1  o 84.69007 40.70322 -3.014641      7.044302  -2.541047      5.666682  6.380501       67.09392 
1 1 1 -14 16  2  o 113.0218 48.93401 4.083063       7.118073  3.198947       5.733997  5.789917       76.22867 
1 1 1 -14 16  3  o 76.75406 37.59512 -5.790193      6.161043  -2.983073      5.918556  -5.089417      62.43463 
1 1 1 -14 16  4  o 104.7945 43.51694 4.898431       4.808972  1.640203       4.511369  17.77680       68.23178 
1 1 1 -14 16  5  o 78.91664 36.98715 -1.722241      4.640506  0.4346485      4.475024  -6.834496      59.77195 
1 1 1 -14 16  6  o 81.41042 37.61789 -1.488119      4.625627  1.773356       4.304195  -10.84772      59.92334 
1 1 1 -14 16  7  o 80.80566 37.51769 -0.5828263     4.664724  1.318979       4.374492  -5.608299      59.22471 
1 1 1 -14 16  8  o 84.29793 38.21706 3.766838       4.663765  -0.3714525     4.037719  18.46049       60.23929 
1 1 1 -14 16  9  o 81.30188 37.35281 1.171606       4.640493  0.9556059      4.033467  2.765594       58.34565 
1 1 1 -14 16  10 o 79.30648 37.76370 -4.613671      7.712079  2.322406       4.091879  -6.248405      57.89296 
1 1 1 -14 16  11 o 72.00244 35.27401 -1.521461      4.596637  -0.2139910     6.549836  -7.635048      55.48665 
1 1 1 -14 16  12 o 66.76566 32.51207 -2.993277      4.619930  0.8027664      4.083549  -7.358955      51.07509 
1 1 1 -14 17  1  o 114.3439 45.09458 11.72092       5.371843  -0.2981982     4.246756  71.57692       72.11470 
1 1 1 -14 17  2  o 105.1971 43.75259 2.895979       5.153033  3.763846       4.371043  -3.235329      67.92519 
1 1 1 -14 17  3  f 93.86496 41.15942 3.476871       5.106144  1.129555       4.204285  12.99257       64.86947 
1 1 1 -14 17  4  o 84.92630 38.78854 -0.4390594E-01 5.023410  1.547976       4.192170  -2.759277      61.12264 
1 1 1 -14 17  5  o 79.15999 36.99820 -1.372726      4.958837  1.145352       4.157578  -5.050705      58.61951 
1 1 1 -14 17  6  o 73.03858 34.71326 -4.338159      4.399266  2.497174       4.166806  -21.63853      56.22362 
1 1 1 -14 17  7  o 65.83555 32.20724 -2.062537      4.643579  -3.109438      4.172200  5.646141       52.94165 
1 1 1 -14 17  8  o 73.07336 34.84768 -0.4772179     4.703017  -0.3476496     4.126250  2.008766       55.18380 
1 1 1 -14 17  9  o 84.99116 38.67101 4.167555       4.749206  1.032138       4.234490  11.32471       58.69398 
1 1 1 -14 17  10 o 80.41851 39.21686 0.000000       0.000000  1.100095       4.496804  ?              ?        
1 1 1 -14 17  11 o 73.43600 35.78496 1.335458       4.723379  -1.270057      6.056176  2.771408       54.36791 
1 1 1 -14 18  1  f 80.51393 37.45972 3.265787       5.016290  -2.088809      4.169940  23.52858       60.88453 
1 1 1 -14 18  2  o 83.53843 38.48806 3.004836       5.193203  -0.7695903     4.196211  17.52230       61.52981 
1 1 1 -14 18  3  o 73.88019 35.32178 -1.602038      5.064888  -0.8201463     4.192312  2.207695       56.98520 
1 1 1 -14 18  4  o 73.92346 35.39405 -2.282246      5.165312  -0.2885875     4.220933  -1.125557      56.83121 
1 1 1 -14 18  5  o 74.24036 35.38158 0.8695695      5.104046  -1.617929      4.079943  12.14173       57.01677 
1 1 1 -14 18  6  o 72.67467 34.78109 0.3323385      4.833112  -1.232972      4.150540  7.396248       55.34566 
1 1 1 -14 18  7  o 64.36629 31.71270 -2.659654      5.061581  -2.376374      4.092570  3.967354       51.29754 
1 1 1 -14 18  8  o 66.00431 32.37503 -4.354399      4.782171  0.2789485      4.304722  -8.707977      51.68182 
1 1 1 -14 18  9  o 82.01875 38.02329 4.105603       4.934571  0.9932685      4.339469  9.713875       57.21665 
1 1 1 -14 18  10 o 79.67955 38.36924 3.202333       8.050432  2.068468       4.560305  2.575211       56.83113 
1 1 1 -14 19  1  o 93.85979 41.14321 0.9504976      4.809878  4.432856       4.385393  -14.05065      62.80640 
1 1 1 -14 19  2  o 70.12197 33.91310 -3.124500      4.806266  -0.2208375     4.246178  -5.198105      54.51876 
1 1 1 -14 19  3  o 79.81503 37.43460 9.441334       5.234951  -4.963679      4.271491  51.99769       62.46469 
1 1 1 -14 19  4  o 72.70651 34.92186 -1.675090      4.995769  0.3839922      4.253250  -2.826515      54.94265 
1 1 1 -14 19  5  o 83.71533 38.72103 0.2146993      5.291162  3.210801       4.329263  -7.884827      58.61686 
1 1 1 -14 19  6  o 71.09391 34.34476 -1.855594      5.096154  0.4250721      4.200078  -2.721428      53.74668 
1 1 1 -14 19  7  o 65.64639 32.07085 -0.9330599     4.740248  -1.574764      3.976450  4.571121       50.93460 
1 1 1 -14 19  8  o 56.31541 28.27658 -3.412272      4.797087  -4.773094      3.994100  6.429375       46.44443 
1 1 1 -14 19  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -14 20  1  o 98.41570 42.32212 1.581935       4.724002  6.316429       4.601449  -19.84670      63.50216 
1 1 1 -14 20  2  f 87.04849 39.73482 3.002232       5.068785  2.006855       4.514552  3.800713       60.13417 
1 1 1 -14 20  3  o 84.16707 38.69747 0.8063897      4.911059  3.307627       4.396444  -7.546951      58.48631 
1 1 1 -14 20  4  o 73.28786 35.24205 4.538784       5.181207  -2.951775      4.325040  21.59991       55.90709 
1 1 1 -14 20  5  o 69.99414 34.04103 0.4356838      5.106919  -1.107840      4.381094  5.553413       53.01751 
1 1 1 -14 20  6  o 77.06181 36.75405 1.195618       5.387875  1.830589       4.496983  -0.5826340     55.19193 
1 1 1 -13 -21 1  o 131.1481 54.33915 6.862160       6.929893  2.774436       7.578605  16.12728       84.70052 
1 1 1 -13 -21 2  o 125.8959 59.37136 2.121808       8.528099  0.000000       0.000000  ?              ?        
1 1 1 -13 -20 1  o 95.94333 45.57829 -4.060342      8.517972  -2.023446      6.572249  5.495262       75.48363 
1 1 1 -13 -20 2  o 129.0384 54.34284 5.830328       8.715541  3.589221       6.558059  13.17456       86.14827 
1 1 1 -13 -20 3  o 148.4872 56.67192 8.581807       7.664146  6.386628       6.908147  10.33340       88.87564 
1 1 1 -13 -19 1  o 121.3223 52.07337 1.954343       7.220404  3.551821       6.857163  -5.245895      82.92663 
1 1 1 -13 -19 2  o 109.1439 49.09166 3.232917       7.478723  -1.422388      6.537762  21.96800       80.06546 
1 1 1 -13 -19 3  o 127.6231 53.07580 -2.412786      7.133364  10.09092       6.754922  -54.80398      83.28939 
1 1 1 -13 -19 4  o 148.4198 55.75512 10.45774       7.538822  4.605646       6.494382  30.23494       88.55030 
1 1 1 -13 -18 1  o 151.7918 54.86288 6.508145       6.990213  6.603900       6.318070  0.3188477      88.38596 
1 1 1 -13 -18 2  o 134.2322 52.78907 1.010552       6.796033  7.774180       6.135163  -33.66586      83.40434 
1 1 1 -13 -18 3  o 152.0679 55.02002 8.520775       7.088005  5.567917       6.316378  17.63264       88.47771 
1 1 1 -13 -18 4  o 92.42958 42.85414 6.319565       6.243913  -7.245862      5.532670  57.93431       73.33163 
1 1 1 -13 -18 5  o 130.4527 50.99121 2.699610       6.140318  6.525794       5.828292  -20.29000      80.75776 
1 1 1 -13 -17 1  o 106.4294 48.62846 -2.171494      7.450901  -0.3390151     6.906379  -2.868553      80.45654 
1 1 1 -13 -17 2  o 185.7048 53.52468 12.65910       6.848491  7.608799       6.204115  35.71094       91.10986 
1 1 1 -13 -17 3  o 137.3143 51.57661 4.931540       6.260237  5.140909       5.689004  0.2346497      82.90443 
1 1 1 -13 -17 4  o 87.48748 41.11361 -0.8789079     5.974628  -3.742092      5.448821  14.60461       69.34149 
1 1 1 -13 -17 5  o 124.6593 49.37526 5.390240       5.804230  2.604842       5.545791  16.58175       78.90644 
1 1 1 -13 -17 6  o 138.5482 57.69536 0.000000       0.000000  5.429574       5.806750  ?              ?        
1 1 1 -13 -16 1  o 138.9399 62.35152 3.497944       11.73181  -0.2539851     10.66139  14.86490       100.6661 
1 1 1 -13 -16 2  f 154.3083 66.01987 -1.944323      11.45538  11.30957       11.02912  -42.58083      104.7597 
1 1 1 -13 -16 3  o 180.5411 53.76588 10.53865       6.622966  8.102181       6.326014  17.32295       90.78452 
1 1 1 -13 -16 4  o 254.7960 46.24248 21.12872       7.504889  14.47798       6.651628  46.04297       93.03925 
1 1 1 -13 -16 5  o 149.7901 51.14619 2.857415       5.816076  9.653775       5.598057  -46.52371      81.99825 
1 1 1 -13 -16 6  o 88.24952 40.82253 -4.089275      5.402423  1.132413       5.144700  -18.75838      67.86887 
1 1 1 -13 -16 7  o 117.9502 47.20028 6.452560       5.429620  0.5380757      5.058648  36.37699       75.76439 
1 1 1 -13 -15 1  o 184.8327 46.08515 10.00604       5.260241  7.374448       5.270684  24.10088       82.13843 
1 1 1 -13 -15 2  o 97.91111 43.33188 2.281015       5.459103  -2.227959      4.971694  27.03423       72.39452 
1 1 1 -13 -15 3  o 173.9889 66.33203 14.55370       9.988957  2.777547       9.881072  52.96686       105.1430 
1 1 1 -13 -15 4  o 106.3771 47.95100 1.391940       5.290299  -7.552402      10.50644  -5.367470      80.68101 
1 1 1 -13 -15 5  o 244.3736 45.36115 14.07296       6.662350  17.63982       6.584730  -31.27379      90.32973 
1 1 1 -13 -15 6  o 163.0077 53.08601 13.63968       6.352944  2.558329       5.979204  76.53030       84.89489 
1 1 1 -13 -15 7  o 178.9117 46.14161 9.031050       5.092807  8.979477       5.217879  1.089691       81.74287 
1 1 1 -13 -15 8  o 103.2774 44.22677 1.100958       5.076695  1.885075       5.025305  -3.754143      71.46764 
1 1 1 -13 -14 1  o 212.5283 36.84804 10.07945       4.655939  11.49529       4.708304  -14.35287      73.40049 
1 1 1 -13 -14 2  o 173.7164 43.79913 7.657029       4.808290  7.485251       4.632477  1.612366       78.12946 
1 1 1 -13 -14 3  o 80.22237 37.32941 1.481469       4.520406  -5.784853      4.491640  33.91621       64.20322 
1 1 1 -13 -14 4  o 165.8156 59.80700 6.773710       8.174227  8.127986       7.601425  -6.459167      96.65038 
1 1 1 -13 -14 5  o 130.7195 55.15510 2.119323       7.145394  4.164745       8.297694  -13.92773      89.16090 
1 1 1 -13 -14 6  o 137.2423 49.35488 6.991468       4.709081  1.300215       6.374162  30.90527       78.66401 
1 1 1 -13 -14 7  o 259.3372 42.39382 19.42771       6.881053  16.01096       6.323387  23.11768       88.39021 
1 1 1 -13 -14 8  f 223.5075 39.00790 15.69820       5.163773  10.27724       5.260931  53.23695       78.23146 
1 1 1 -13 -14 9  o 102.1487 43.37637 -0.3540856     4.628730  3.773891       4.961675  -24.91593      70.42491 
1 1 1 -13 -13 1  o 710.3634 18.91716 108.7905       8.256609  115.8114       8.402277  -22.36859      38.14621 
1 1 1 -13 -13 2  o 87.52432 38.47355 0.3362403E-01  4.092195  -0.7897500     3.976259  6.371445       64.56702 
1 1 1 -13 -13 3  o 150.7969 43.06695 8.283641       4.306716  3.191040       4.154019  49.66885       72.42274 
1 1 1 -13 -13 4  o 128.4167 43.69446 3.658517       4.117363  4.342614       4.208861  -6.362015      72.16923 
1 1 1 -13 -13 5  o 111.5279 42.56233 -2.940544      3.835663  9.749982       4.410064  -104.5983      65.38018 
1 1 1 -13 -13 6  o 116.6293 49.73542 4.986097       6.478090  -1.234158      6.209049  31.61478       80.99296 
1 1 1 -13 -13 7  o 146.8685 55.46682 6.558129       6.829195  5.360318       6.987710  6.258621       88.69246 
1 1 1 -13 -13 8  o 97.25819 43.67355 -0.1418833     5.502771  -0.2867824     5.465317  0.9256821      71.86251 
1 1 1 -13 -13 9  o 84.48989 39.93096 -1.725721      5.772254  -3.375830      5.280609  9.843002       67.27842 
1 1 1 -13 -13 10 o 74.68443 35.38977 -1.212094      4.353315  -3.751119      4.411805  9.502960       60.03910 
1 1 1 -13 -12 1  f 208.9475 36.66718 13.01829       4.565574  7.397553       4.593235  57.75102       71.37276 
1 1 1 -13 -12 2  o 284.7248 27.17528 15.99674       4.792167  20.72991       4.692521  -40.03998      57.15914 
1 1 1 -13 -12 3  o 291.5575 26.51058 17.15644       4.761791  21.55338       4.723059  -36.08594      55.55125 
1 1 1 -13 -12 4  o 177.5556 39.61425 8.869417       4.217072  6.569198       4.288304  24.39003       72.98196 
1 1 1 -13 -12 5  o 180.5068 39.00602 8.308212       4.005670  7.894238       4.520722  6.078156       73.28965 
1 1 1 -13 -12 6  o 70.47896 33.03427 -1.786395      3.694530  -2.472937      3.577580  4.945274       56.79995 
1 1 1 -13 -12 7  o 131.6686 47.12354 4.456599       5.898399  4.291097       4.250264  7.644196       77.86488 
1 1 1 -13 -12 8  o 184.1252 64.20821 11.14423       6.368851  0.000000       0.000000  ?              ?        
1 1 1 -13 -12 9  o 69.35543 33.78632 -5.497548      4.115797  -3.420766      5.584162  -22.03019      60.43635 
1 1 1 -13 -12 10 o 170.4664 52.48370 5.416940       6.044140  12.24333       6.143886  -48.49388      86.18032 
1 1 1 -13 -12 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -13 -11 1  o 397.7097 21.93283 32.80264       5.284739  37.81790       5.501905  -28.64609      44.42298 
1 1 1 -13 -11 2  o 413.6016 21.88489 34.02660       5.595507  42.30308       5.594344  -46.38678      44.64899 
1 1 1 -13 -11 3  o 208.6185 40.94108 8.140980       6.447542  11.47462       4.361456  -33.31743      80.00610 
1 1 1 -13 -11 4  o 119.0813 42.79087 0.6638504      3.969188  5.511600       4.084331  -42.08117      69.54223 
1 1 1 -13 -11 5  o 163.0600 41.36717 8.508540       4.190336  4.706031       4.189970  38.84564       72.50526 
1 1 1 -13 -11 6  o 197.8661 35.78880 11.32851       4.385265  8.029655       4.092085  33.93811       70.49284 
1 1 1 -13 -11 7  o 189.7612 49.30984 0.000000       0.000000  9.628287       4.141204  ?              ?        
1 1 1 -13 -11 8  o 178.7526 64.91550 0.000000       0.000000  10.01949       6.572454  ?              ?        
1 1 1 -13 -11 9  o 116.6907 48.86423 1.219398       5.681777  3.940018       6.235118  -16.55672      78.94544 
1 1 1 -13 -11 10 o 90.23911 40.38775 0.3096548      4.034456  -1.009332      5.665583  -7.218262      67.19118 
1 1 1 -13 -11 11 o 155.1831 53.41507 2.834532       6.383682  11.55435       6.076579  -55.08826      84.47213 
1 1 1 -13 -10 1  o 499.8010 19.30759 53.28069       5.900959  57.41161       6.051499  -18.74823      38.87799 
1 1 1 -13 -10 2  o 218.4648 33.86377 14.56866       4.570982  7.806351       4.321016  68.59177       67.68094 
1 1 1 -13 -10 3  f 179.5227 39.27436 7.738148       4.242308  7.590150       4.261237  1.583069       72.93747 
1 1 1 -13 -10 4  o 357.9682 22.47694 28.84449       4.888469  28.65352       5.047184  1.786804       45.79855 
1 1 1 -13 -10 5  o 81.62589 36.83567 0.5084355      3.833304  -2.949152      4.091857  15.98936       62.28724 
1 1 1 -13 -10 6  o 97.42123 40.15472 2.267556       3.962293  -0.3965734E-01 3.882087  17.02510       66.11983 
1 1 1 -13 -10 7  f 121.2182 45.50890 7.286199       6.081003  1.549975       3.890255  52.87582       77.74494 
1 1 1 -13 -10 8  o 86.51126 38.06606 1.691837       4.028205  -1.805368      3.889531  22.21337       63.44703 
1 1 1 -13 -10 9  o 126.2191 43.31603 2.226914       4.113052  5.860555       4.071977  -30.54453      70.52105 
1 1 1 -13 -10 10 o 138.0658 52.25455 11.47587       6.214370  -0.9293921     6.064126  74.18313       82.10851 
1 1 1 -13 -10 11 o 133.3285 51.48594 5.748429       6.142129  4.152054       5.938425  9.421646       82.02288 
1 1 1 -13 -10 12 o 105.2592 45.80521 4.358341       5.793029  -1.046812      5.409408  27.31963       74.18673 
1 1 1 -13 -9  1  o 122.9717 42.89956 2.325250       3.994210  3.951127       4.048152  -14.97335      71.01659 
1 1 1 -13 -9  2  o 539.8015 18.40006 62.04446       6.106460  66.90526       6.199093  -20.52631      37.02252 
1 1 1 -13 -9  3  o 185.0333 36.76015 9.314721       4.139694  6.812001       4.004807  27.47046       69.78048 
1 1 1 -13 -9  4  o 239.5277 42.03419 0.000000       0.000000  13.62261       4.255315  ?              ?        
1 1 1 -13 -9  5  o 466.7192 19.76969 42.57040       5.433676  56.06827       6.034860  -64.69809      40.02223 
1 1 1 -13 -9  6  o 189.0166 35.59687 9.155494       4.027411  7.956060       4.013975  13.29187       69.25651 
1 1 1 -13 -9  7  o 102.8483 41.65490 -0.6864333     4.249034  3.577830       4.020373  -27.54578      67.80215 
1 1 1 -13 -9  8  o 369.5479 22.47857 27.51013       5.051182  34.98360       5.209641  -46.53143      46.41638 
1 1 1 -13 -9  9  o 136.3753 42.34115 6.824389       3.864930  2.587099       4.054156  38.97995       69.73716 
1 1 1 -13 -9  10 o 238.2454 30.87288 11.37826       4.303214  16.60408       4.625133  -48.96213      65.80295 
1 1 1 -13 -9  11 o 94.09920 41.48520 3.159151       5.595674  -1.253895      4.159697  33.56835       70.06143 
1 1 1 -13 -9  12 o 78.03918 37.72045 -7.511402      5.316611  -0.4168913     5.811606  -26.23611      65.39340 
1 1 1 -13 -8  1  o 336.5170 20.76670 26.73201       4.326843  23.62315       4.301069  21.33551       42.13347 
1 1 1 -13 -8  2  o 424.7907 19.62860 39.97330       5.114403  39.96789       5.203306  0.1780090      39.57866 
1 1 1 -13 -8  3  o 92.36938 40.55909 -1.435522      4.353270  0.3017228      4.598673  -13.26600      68.54048 
1 1 1 -13 -8  4  o 165.0880 38.65510 6.712240       3.899576  6.211025       3.877381  5.571381       70.26260 
1 1 1 -13 -8  5  o 356.5193 21.14423 29.27240       4.606719  27.49713       4.705197  11.85077       42.99322 
1 1 1 -13 -8  6  o 505.1267 18.41684 62.26363       5.884548  51.90632       5.645074  46.53250       37.25835 
1 1 1 -13 -8  7  o 262.9025 25.95315 17.40104       4.118590  14.20280       4.238783  29.85765       54.73838 
1 1 1 -13 -8  8  o 337.0255 22.88718 32.51124       5.021627  20.61307       4.529364  79.70624       47.72626 
1 1 1 -13 -8  9  o 222.5401 31.22157 15.54538       4.335061  8.583261       4.061552  70.41385       64.76353 
1 1 1 -13 -8  10 o 171.7445 39.32832 7.636163       4.001864  7.590982       4.204598  1.341080       72.57341 
1 1 1 -13 -8  11 o 102.2590 40.80325 2.804171       3.813385  1.197800       3.993345  10.12391       66.11621 
1 1 1 -13 -8  12 o 106.4310 46.51886 0.000000       0.000000  1.381660       4.116362  ?              ?        
1 1 1 -13 -8  13 o 119.3529 49.03655 3.430883       5.546294  3.506016       6.147431  -2.380241      77.95374 
1 1 1 -13 -7  1  o 699.7490 17.13153 108.4782       7.512380  107.7054       7.362409  2.329529       34.45344 
1 1 1 -13 -7  2  o 333.5280 21.80279 23.92545       4.431325  25.62619       4.543048  -11.56894      44.22039 
1 1 1 -13 -7  3  o 509.2791 18.39401 56.23278       5.710026  58.54662       5.897358  -10.15237      37.00846 
1 1 1 -13 -7  4  o 238.8708 31.60122 13.30267       4.451330  12.70374       4.693918  6.760696       65.35670 
1 1 1 -13 -7  5  o 150.4644 40.60289 6.441954       3.770822  4.219011       3.992254  22.56985       70.37595 
1 1 1 -13 -7  6  o 621.3370 17.71993 86.87094       6.821152  84.65497       6.824423  8.205811       35.71398 
1 1 1 -13 -7  7  o 292.3032 24.01845 18.66554       4.228798  20.16785       4.410288  -11.22165      49.49922 
1 1 1 -13 -7  8  o 258.4297 26.05569 17.41178       4.227265  13.58230       4.020507  34.03387       54.74920 
1 1 1 -13 -7  9  o 91.08242 38.54133 -1.155820      3.689398  2.619650       3.827662  -26.99783      63.61928 
1 1 1 -13 -7  10 o 71.34634 33.51354 -3.592704      3.713311  -0.6563647     3.841825  -15.53774      57.63076 
1 1 1 -13 -7  11 o 165.1674 40.56120 6.183214       4.065446  8.324092       4.187104  -21.52635      72.82654 
1 1 1 -13 -7  12 o 96.27256 40.18820 1.026374       3.845896  1.727407       4.171075  -7.079277      65.51060 
1 1 1 -13 -7  13 o 120.6213 43.59604 6.311674       4.228198  1.564075       4.144382  36.85892       70.00272 
1 1 1 -13 -7  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -13 -6  1  o 356.3653 19.80285 27.92931       4.428587  28.37584       4.295305  -3.138092      40.03621 
1 1 1 -13 -6  2  o 443.8513 25.59691 0.000000       0.000000  43.98623       4.962269  ?              ?        
1 1 1 -13 -6  3  o 507.1198 18.38789 55.70903       5.788714  58.04387       5.761043  -10.61337      37.01174 
1 1 1 -13 -6  4  o 112.3922 41.89510 4.168447       3.876273  0.2933276      3.951432  31.80506       68.47099 
1 1 1 -13 -6  5  o 105.6489 41.15096 1.617388       3.931781  1.788153       3.834940  -0.3093872     67.93849 
1 1 1 -13 -6  6  o 561.7287 18.27539 65.35465       6.116021  75.61178       6.634857  -40.73224      36.83539 
1 1 1 -13 -6  7  o 379.0123 20.18045 30.55395       4.639764  33.88461       4.820423  -19.74612      40.96333 
1 1 1 -13 -6  8  f 262.2000 25.71712 15.73540       4.071822  15.77745       4.188848  0.3287354      53.63794 
1 1 1 -13 -6  9  o 95.46110 40.72482 0.9950625      3.606862  -0.1183771     5.448807  -10.91965      68.42782 
1 1 1 -13 -6  10 o 107.5177 40.52177 4.655234       3.529686  -0.2212593     3.856184  36.87907       64.98767 
1 1 1 -13 -6  11 f 230.2182 29.53783 10.52806       4.016089  15.21480       4.235025  -46.46188      62.78740 
1 1 1 -13 -6  12 o 232.5394 30.56599 12.76842       4.221782  13.77093       4.387950  -8.359329      65.49686 
1 1 1 -13 -6  13 o 101.2293 40.46324 2.606412       3.731664  1.636476       3.963373  5.332840       65.29572 
1 1 1 -13 -6  14 o 83.91672 37.47005 1.958972       3.911351  -2.029400      4.042854  19.98537       61.51591 
1 1 1 -13 -5  1  o 168.7186 35.56010 3.540125       3.593804  9.736290       3.614635  -70.27917      63.71745 
1 1 1 -13 -5  2  o 390.3880 19.10363 36.17761       4.679654  31.49654       4.547577  27.37433       38.57338 
1 1 1 -13 -5  3  o 288.3351 23.33813 14.52691       4.000896  23.23698       4.291609  -69.75562      48.59625 
1 1 1 -13 -5  4  o 465.3544 18.76365 48.01681       5.361210  47.82734       5.450654  1.076721       37.78888 
1 1 1 -13 -5  5  o 407.2023 21.22972 38.57627       5.366203  35.16882       5.322113  19.23029       42.95454 
1 1 1 -13 -5  6  o 591.4408 17.89638 78.97236       6.606845  76.17608       6.510857  10.66724       36.03420 
1 1 1 -13 -5  7  o 322.9290 22.07494 19.81552       4.263484  27.49620       4.540482  -54.38733      45.35301 
1 1 1 -13 -5  8  o 223.3792 31.04392 11.29702       4.275691  11.99677       4.100905  -8.394470      64.52554 
1 1 1 -13 -5  9  f 317.3835 33.76580 23.94001       4.628630  0.000000       0.000000  ?              ?        
1 1 1 -13 -5  10 o 188.6706 35.32515 9.803090       3.981549  7.722923       3.983286  23.17642       69.10320 
1 1 1 -13 -5  11 o 127.4104 41.33918 4.351225       3.639271  3.947947       3.840633  3.117294       68.72769 
1 1 1 -13 -5  12 o 299.9236 24.63524 21.42238       4.417856  20.86923       4.679405  7.148987       52.12946 
1 1 1 -13 -5  13 o 216.1577 33.08796 10.41650       4.126418  13.27619       4.487725  -26.21004      69.26855 
1 1 1 -13 -5  14 o 141.1567 42.41956 3.143983       3.819577  8.737539       4.239494  -50.93267      70.41386 
1 1 1 -13 -4  1  o 449.8240 17.48076 42.46215       4.847245  46.95178       4.889957  -22.85312      35.18888 
1 1 1 -13 -4  2  o 801.5412 17.43462 146.0722       8.848589  137.8332       8.499382  23.09290       35.04046 
1 1 1 -13 -4  3  o 345.4109 20.45344 31.29326       4.537522  22.40009       4.206907  58.67535       41.61677 
1 1 1 -13 -4  4  o 458.3970 18.72040 46.22322       5.277639  46.81913       5.347049  -2.874207      37.70475 
1 1 1 -13 -4  5  o 388.1845 20.20776 30.43389       4.733154  36.75687       4.974337  -37.06409      40.86447 
1 1 1 -13 -4  6  o 858.0523 18.46204 161.0512       9.713571  165.1297       9.943973  -10.49078      37.16909 
1 1 1 -13 -4  7  o 464.0847 18.82165 49.61704       5.433511  46.25254       5.381187  16.57541       38.02010 
1 1 1 -13 -4  8  o 391.2386 29.24652 0.000000       0.000000  35.09241       4.982682  ?              ?        
1 1 1 -13 -4  9  o 186.6641 48.61156 9.013701       4.018879  0.000000       0.000000  ?              ?        
1 1 1 -13 -4  10 o 92.69807 38.84338 -0.7759503     3.799708  2.491405       3.715403  -21.42980      63.69656 
1 1 1 -13 -4  11 o 124.0907 42.09939 1.418687       3.843173  6.318181       3.884558  -43.66105      68.19556 
1 1 1 -13 -4  12 o 154.3763 40.41181 6.818598       3.938822  5.867714       3.890603  9.677414       71.20979 
1 1 1 -13 -4  13 o 146.9757 41.47771 5.883515       3.835106  5.974070       4.066163  -0.4248505     71.38473 
1 1 1 -13 -4  14 o 137.9797 41.78889 4.639488       3.725852  6.305182       4.063821  -14.99750      70.33622 
1 1 1 -13 -4  15 f 84.62334 37.27180 0.3908863      3.652392  0.5003018      3.972258  -3.223061      60.82214 
1 1 1 -13 -3  1  o 668.7540 16.59464 97.55075       6.851145  99.58617       6.917638  -6.897888      33.34293 
1 1 1 -13 -3  2  f 965.1992 18.66369 208.0724       11.25586  203.4454       11.09501  10.77594       37.50695 
1 1 1 -13 -3  3  o 278.1108 23.46032 19.35248       4.091039  15.39303       3.932868  32.86636       48.17728 
1 1 1 -13 -3  4  o 132.8321 47.94656 0.000000       0.000000  3.543617       3.578441  ?              ?        
1 1 1 -13 -3  5  f 97.21964 39.79631 2.707735       3.905009  -0.8257209     3.736240  28.53947       65.98215 
1 1 1 -13 -3  6  o 301.1731 24.72661 24.91427       4.650457  16.04137       4.510504  68.85895       51.91448 
1 1 1 -13 -3  7  o 570.7004 17.52618 74.19390       6.251238  70.36337       6.144571  15.19208       35.30071 
1 1 1 -13 -3  8  o 136.8929 49.52019 0.000000       0.000000  4.109177       3.819786  ?              ?        
1 1 1 -13 -3  9  f 281.6180 25.39895 19.14694       4.163804  16.90454       4.656139  22.00259       53.88071 
1 1 1 -13 -3  10 o 300.5863 24.00623 24.87580       4.484959  16.85570       4.394478  63.02713       51.04975 
1 1 1 -13 -3  11 o 312.0470 23.55610 22.98291       4.414020  21.86970       4.647101  10.23361       49.11257 
1 1 1 -13 -3  12 o 224.1063 29.84316 12.35410       4.049711  11.96990       4.041705  4.022415       63.43954 
1 1 1 -13 -3  13 o 142.3229 41.76930 6.548530       3.892029  4.610372       3.964856  18.60425       70.67574 
1 1 1 -13 -3  14 o 89.57441 38.45181 -0.9463782     3.828070  2.780686       3.842117  -22.78764      62.57570 
1 1 1 -13 -3  15 o 141.2304 44.17837 6.877132       4.224662  4.885809       4.375814  17.17924       73.05649 
1 1 1 -13 -2  1  o 834.5148 17.23505 157.8762       9.052700  149.4194       8.796825  22.91644       34.61233 
1 1 1 -13 -2  2  o 526.7991 16.85022 59.83635       5.427216  62.76287       5.574348  -12.54517      33.85674 
1 1 1 -13 -2  3  o 156.4236 37.88107 4.247327       3.649809  7.233457       3.622758  -33.58511      67.29597 
1 1 1 -13 -2  4  o 102.0376 39.44882 -0.8650610     3.433649  4.460444       3.673704  -48.18154      64.31398 
1 1 1 -13 -2  5  o 107.5453 40.90719 0.8956065      3.704552  3.054211       3.845228  -19.62325      67.45288 
1 1 1 -13 -2  6  o 235.9158 32.07726 11.58125       4.588216  13.86280       4.557557  -22.71979      66.16254 
1 1 1 -13 -2  7  o 579.3619 17.53593 75.87228       6.349533  73.01156       6.241827  11.12134       35.30810 
1 1 1 -13 -2  8  o 195.0013 38.17449 11.37418       5.648416  8.072748       3.791938  29.01422       75.64173 
1 1 1 -13 -2  9  o 102.1288 39.73332 -0.6133777     3.584566  4.279751       3.648727  -40.43807      64.51820 
1 1 1 -13 -2  10 o 139.3768 41.14772 4.871399       3.673653  4.905904       3.945758  -1.042313      70.14236 
1 1 1 -13 -2  11 o 114.9752 41.30451 0.2014584E-01  3.535971  7.092432       4.009372  -63.99203      66.27411 
1 1 1 -13 -2  12 o 70.80756 33.08591 -3.298566      3.456181  -0.1611289E-01 3.761882  -20.09943      56.85834 
1 1 1 -13 -2  13 o 117.1601 41.69872 5.017472       3.777668  2.065374       3.849736  24.23785       67.47265 
1 1 1 -13 -2  14 o 131.0844 44.66897 6.222524       3.846354  2.466278       5.124150  26.10806       71.76445 
1 1 1 -13 -2  15 o 61.87232 30.09828 -3.340154      3.700930  -3.600913      3.663913  1.369972       51.97826 
1 1 1 -13 -2  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -13 -1  1  o 104.3356 38.84473 2.635956       3.375291  1.202640       3.349299  13.42493       64.12695 
1 1 1 -13 -1  2  o 347.8554 19.63191 27.11733       4.239552  26.52408       4.198779  3.862976       39.65438 
1 1 1 -13 -1  3  o 300.2558 21.42067 20.91223       3.957938  19.22624       3.969084  13.08118       43.57510 
1 1 1 -13 -1  4  o 297.4911 22.21089 20.95804       4.116660  18.60419       4.023369  18.18036       45.27542 
1 1 1 -13 -1  5  o 359.9647 20.73396 33.28853       4.746583  24.79256       4.484879  53.93243       42.17020 
1 1 1 -13 -1  6  o 275.4163 25.24768 15.16105       4.190045  19.03910       4.345254  -32.62407      52.10738 
1 1 1 -13 -1  7  o 301.2288 23.03894 19.59289       4.194499  21.15361       4.354710  -11.57785      47.06245 
1 1 1 -13 -1  8  o 249.9339 26.32185 11.43524       3.973128  17.14248       4.067990  -53.89639      55.63810 
1 1 1 -13 -1  9  o 519.6137 17.85168 60.07307       5.692477  60.47332       5.800100  -1.425049      36.08997 
1 1 1 -13 -1  10 o 443.5024 19.18420 45.78705       5.301189  42.77617       5.230236  15.42874       38.99632 
1 1 1 -13 -1  11 o 72.46928 33.64244 1.513820       3.623610  -4.803014      3.629590  32.76643       57.73468 
1 1 1 -13 -1  12 f 224.5843 31.31718 12.92721       4.244526  11.60553       4.244344  13.96208       66.19963 
1 1 1 -13 -1  13 f 143.1032 41.38437 3.891376       3.806403  7.457926       3.960586  -34.53246      69.95280 
1 1 1 -13 -1  14 o 85.75973 37.52594 0.9895977      3.772612  -0.6831381E-01 3.822967  5.682915       61.32764 
1 1 1 -13 -1  15 o 71.73780 33.60887 -2.102243      3.745183  -0.8059874     3.764666  -5.983727      56.25475 
1 1 1 -13 -1  16 o 66.86849 31.97234 -5.579909      3.619981  1.488992       3.881436  -31.95722      55.48518 
1 1 1 -13 0   1  o 220.6478 26.54346 10.37314       3.549435  11.55730       3.571049  -12.58267      54.78648 
1 1 1 -13 0   2  o 951.0708 18.36088 199.5404       10.85758  199.8283       10.80729  -0.7550049     36.89279 
1 1 1 -13 0   3  o 493.8789 17.08377 53.22109       5.175828  54.62021       5.277580  -6.349457      34.35571 
1 1 1 -13 0   4  o 163.5047 36.55239 3.838401       3.593439  8.791675       3.635098  -56.29324      65.29626 
1 1 1 -13 0   5  o 335.1532 21.46453 24.70447       4.427473  25.32994       4.450763  -4.271301      43.53768 
1 1 1 -13 0   6  o 385.5023 19.93340 30.77769       4.666866  35.38179       4.838981  -27.18610      40.29757 
1 1 1 -13 0   7  o 138.5348 41.63625 2.857221       3.770523  6.326443       3.969444  -35.94391      69.98550 
1 1 1 -13 0   8  o 464.7523 18.42455 51.26733       5.344668  44.99463       5.258756  30.87939       37.26065 
1 1 1 -13 0   9  o 135.8887 40.65403 8.400500       3.704559  0.6243804      3.680021  77.29745       64.49929 
1 1 1 -13 0   10 f 116.8345 41.17164 6.018370       3.768128  0.3841713      3.653774  50.99666       66.24646 
1 1 1 -13 0   11 o 109.5863 40.73265 1.856274       3.612988  3.595036       3.780902  -15.52579      66.47616 
1 1 1 -13 0   12 o 121.5297 41.33677 3.760530       3.650783  3.714923       3.804457  -0.2164536     68.09179 
1 1 1 -13 0   13 o 106.6371 40.85829 1.931526       3.712502  3.378500       3.854805  -11.87729      66.16360 
1 1 1 -13 0   14 o 139.5310 41.59565 3.272446       3.773619  8.040874       3.975322  -44.52735      69.10916 
1 1 1 -13 0   15 o 88.30486 37.93400 2.364659       3.798933  -0.1767234     3.678965  16.14912       61.43970 
1 1 1 -13 0   16 o 90.98785 38.50384 0.3071733      3.687354  2.775951       3.815375  -15.87879      61.88063 
1 1 1 -13 1   1  o 575.1343 16.56975 72.04554       5.916017  73.89324       5.894823  -7.383240      33.27839 
1 1 1 -13 1   2  o 421.1935 17.58782 39.78498       4.662594  38.68345       4.511435  5.783813       35.40645 
1 1 1 -13 1   3  o 90.78984 37.44643 -3.969242      3.384422  5.416505       3.443248  -75.23158      59.61161 
1 1 1 -13 1   4  o 68.80902 32.18923 -2.745734      3.396905  -1.785998      3.450049  -5.960648      55.99674 
1 1 1 -13 1   5  o 443.1827 18.62527 43.89390       5.135539  43.18854       5.082791  3.562317       37.54332 
1 1 1 -13 1   6  o 152.9375 39.07912 2.373150       3.734197  8.631860       3.707369  -67.04240      65.87476 
1 1 1 -13 1   7  o 313.0274 22.88849 16.83093       4.192386  28.30753       4.674245  -83.59195      47.47925 
1 1 1 -13 1   8  f 345.2549 21.14547 27.59396       4.458158  25.76774       4.557435  12.63589       43.08205 
1 1 1 -13 1   9  o 206.9525 30.73360 13.08829       3.825355  6.963617       3.826339  67.23547       62.58771 
1 1 1 -13 1   10 o 85.81698 37.16788 1.934808       3.567415  -1.915912      3.729390  23.11755       61.62470 
1 1 1 -13 1   11 o 69.91940 32.94457 -2.033990      3.661225  -2.501238      3.737633  1.215347       56.50626 
1 1 1 -13 1   12 o 102.0649 40.19709 2.438653       3.690200  1.633777       3.789888  5.286888       65.35907 
1 1 1 -13 1   13 o 99.79724 39.79472 -0.6441212     3.625045  4.923174       3.795642  -42.19753      64.13734 
1 1 1 -13 1   14 o 148.3246 41.22584 9.233929       3.949868  3.334788       3.909259  56.60636       68.78439 
1 1 1 -13 1   15 o 121.0351 42.40159 3.237698       3.872778  5.275912       3.991040  -16.52409      68.56464 
1 1 1 -13 1   16 o 92.42719 38.71872 3.337142       3.860613  0.2649497      3.613865  20.68153       62.22835 
1 1 1 -13 2   1  o 284.6933 22.25259 15.58364       3.914896  20.47544       3.882569  -40.26608      45.94690 
1 1 1 -13 2   2  o 214.2844 27.81541 11.75835       3.725907  9.190215       3.504646  27.32025       57.23691 
1 1 1 -13 2   3  o 223.2897 27.44971 11.19986       3.744611  11.37581       3.700146  -2.020752      56.74346 
1 1 1 -13 2   4  o 408.0957 18.29147 36.88313       4.726686  36.96907       4.517834  -0.8981323     36.93183 
1 1 1 -13 2   5  o 450.5859 18.45819 45.28595       5.224627  44.74022       5.075197  2.501373       37.21241 
1 1 1 -13 2   6  o 374.2774 19.92035 27.24230       4.634920  34.91806       4.582111  -47.60999      40.69978 
1 1 1 -13 2   7  o 223.5107 30.18666 13.85738       4.242704  9.392201       3.931882  45.23967       62.16939 
1 1 1 -13 2   8  o 127.2486 41.26154 5.054354       3.808255  2.552859       3.641717  25.39735       68.67025 
1 1 1 -13 2   9  o 122.4446 40.58827 3.995517       3.586072  2.990157       3.600513  9.625687       67.46574 
1 1 1 -13 2   10 o 88.55406 38.96099 -0.7465382E-01 3.592335  -0.4611428     5.066616  -13.59330      66.05657 
1 1 1 -13 2   11 o 108.5347 40.19189 3.978760       3.580189  1.258641       3.600888  22.83654       65.33764 
1 1 1 -13 2   12 o 132.9433 41.06079 8.647916       3.774398  0.8867222      3.679595  73.93471       65.08257 
1 1 1 -13 2   13 o 215.6194 30.36686 11.78962       3.916473  11.17286       3.982971  7.635040       64.56652 
1 1 1 -13 2   14 o 188.2007 48.91522 0.000000       0.000000  10.88539       4.074582  ?              ?        
1 1 1 -13 2   15 o 90.32690 38.12344 -4.150334      3.581194  7.364110       3.744530  -78.57091      60.50570 
1 1 1 -13 2   16 o 84.99434 37.11457 1.179147       3.730632  0.5928195      3.666361  3.744202       59.83295 
1 1 1 -13 3   1  o 183.5318 31.62976 9.524251       3.710207  6.347494       3.272833  36.93747       62.05606 
1 1 1 -13 3   2  f 116.1247 39.39835 2.710152       3.502687  3.014474       3.276303  -0.9697037     65.57493 
1 1 1 -13 3   3  o 93.29984 37.92257 0.4602044E-01  3.471992  1.699897       3.403381  -12.24171      62.80331 
1 1 1 -13 3   4  o 189.4489 31.76617 6.537937       3.686424  9.896942       3.521456  -39.25990      62.93601 
1 1 1 -13 3   5  o 373.7257 19.98865 29.20989       4.594850  32.92689       4.639691  -22.87653      40.48066 
1 1 1 -13 3   6  o 150.8185 40.59054 5.724555       3.883617  5.054896       3.877728  7.127777       70.86004 
1 1 1 -13 3   7  o 135.7804 40.93057 4.936196       3.905216  3.823359       3.580210  13.15070       69.56297 
1 1 1 -13 3   8  o 278.7065 23.97473 15.89343       4.241787  19.04286       3.980074  -27.97113      50.19415 
1 1 1 -13 3   9  o 362.8517 20.91401 25.21315       4.742222  33.88472       4.634578  -56.40710      43.40709 
1 1 1 -13 3   10 o 101.7885 44.81284 0.2717830E-01  3.882737  0.000000       0.000000  ?              ?        
1 1 1 -13 3   11 f 91.74414 38.54081 3.062273       3.914766  -0.8531120     3.539481  30.46375       63.61554 
1 1 1 -13 3   12 o 200.9378 33.66478 13.35951       4.190016  7.241923       3.919295  64.09137       67.16083 
1 1 1 -13 3   13 o 249.9901 28.39565 14.02453       4.311538  16.44589       4.339601  -23.46078      61.63403 
1 1 1 -13 3   14 o 96.98482 39.88529 0.8882626      3.842981  2.943636       3.872677  -13.55655      64.09953 
1 1 1 -13 3   15 o 142.5157 42.12174 3.989646       3.984847  8.062029       3.980610  -37.18990      70.07889 
1 1 1 -13 3   16 o 111.8670 41.62816 6.712069       4.015638  1.219244       3.721894  40.99189       66.11636 
1 1 1 -13 3   17 o 126.6848 54.79205 0.000000       0.000000  6.988876       5.586751  ?              ?        
1 1 1 -13 4   1  o 122.4566 39.40338 1.604716       3.514797  4.856026       3.293236  -31.45482      65.02341 
1 1 1 -13 4   2  o 207.4961 28.14761 9.296674       3.675949  10.20905       3.399550  -11.20082      58.11885 
1 1 1 -13 4   3  o 406.3166 18.21575 36.66515       4.679956  36.55717       4.485331  0.2232056      36.77080 
1 1 1 -13 4   4  o 533.6825 17.21929 61.30812       5.716760  64.80266       5.669651  -15.12317      34.67912 
1 1 1 -13 4   5  o 123.8166 41.57484 3.257670       4.078528  3.439572       3.519025  2.722656       69.41776 
1 1 1 -13 4   6  o 115.5146 41.69727 0.9044970      3.940360  4.221619       3.723798  -26.92129      68.18183 
1 1 1 -13 4   7  o 369.5716 20.83748 33.87748       4.954110  27.62115       4.582943  38.03641       42.28361 
1 1 1 -13 4   8  o 232.7514 28.87044 11.86857       4.147694  13.06889       4.013645  -13.01112      60.37654 
1 1 1 -13 4   9  o 163.8895 41.32460 5.031448       5.517767  7.371882       3.523407  -19.76694      74.39735 
1 1 1 -13 4   10 o 159.5889 43.83106 5.247499       3.741183  9.922035       5.914316  -41.63928      79.13389 
1 1 1 -13 4   11 o 178.7025 36.59710 6.397339       4.016845  9.608564       3.830348  -36.35501      69.17821 
1 1 1 -13 4   12 o 105.5938 40.54890 -0.9048262     3.812535  5.621585       3.653059  -49.20747      64.26781 
1 1 1 -13 4   13 o 167.7640 38.88840 5.501930       3.968816  9.696957       3.967102  -43.97159      70.17278 
1 1 1 -13 4   14 o 160.1851 40.51741 6.118080       4.000034  8.563198       4.056990  -24.01775      71.86509 
1 1 1 -13 4   15 o 114.8099 42.37605 8.084199       4.170583  0.2650439      3.823172  59.46331       66.98027 
1 1 1 -13 4   16 o 187.0766 38.08421 7.544574       4.228550  12.82942       4.310951  -52.33994      72.38129 
1 1 1 -13 4   17 o 78.15892 35.67599 -2.108224      3.886174  2.225855       3.801327  -19.45549      57.78591 
1 1 1 -13 5   1  o 580.3536 17.11080 72.53645       6.197578  76.31954       6.109866  -15.08398      34.42663 
1 1 1 -13 5   2  o 353.8339 20.14928 25.84722       4.587693  29.55027       4.241265  -25.09692      41.27455 
1 1 1 -13 5   3  o 560.8113 17.36274 72.09533       6.276553  67.55924       5.815627  17.69836       34.97699 
1 1 1 -13 5   4  o 390.7987 19.41926 35.78652       4.842548  32.32878       4.556285  19.73050       39.24675 
1 1 1 -13 5   5  o 228.0163 30.32247 16.50881       4.562374  8.535522       3.884340  77.78380       62.13890 
1 1 1 -13 5   6  o 388.8806 21.46442 28.68029       5.232278  38.51482       5.086401  -59.26181      44.30183 
1 1 1 -13 5   7  f 82.97771 36.38390 -1.231287      3.825929  0.2876280      3.386859  -3.892204      61.13840 
1 1 1 -13 5   8  o 249.9189 26.67299 13.39111       4.292061  15.06375       3.881382  -18.39500      56.50176 
1 1 1 -13 5   9  o 147.1667 47.72192 0.000000       0.000000  5.450397       3.520682  ?              ?        
1 1 1 -13 5   10 o 151.3076 45.29390 8.659700       4.021590  1.046205       5.469471  57.96987       72.72752 
1 1 1 -13 5   11 o 454.7192 18.96995 47.78011       5.538411  46.41797       5.159926  4.498871       38.85109 
1 1 1 -13 5   12 o 74.04253 34.04245 -0.6069711     3.705768  -1.501528      3.475247  7.239166       57.23920 
1 1 1 -13 5   13 o 208.4672 33.31565 11.44025       4.304227  10.87282       4.035352  2.601730       69.64193 
1 1 1 -13 5   14 o 87.26842 37.78678 0.6869040      3.826312  1.200420       3.708778  -2.136795      61.05548 
1 1 1 -13 5   15 o 196.7925 34.69257 11.02940       4.204533  10.03956       3.966604  7.017609       71.15231 
1 1 1 -13 5   16 o 74.10923 34.46020 -1.844663      3.793486  0.6121532      3.865939  -11.16609      56.44909 
1 1 1 -13 5   17 o 80.94836 36.36740 3.017440       3.898678  -1.446310      3.722917  22.80890       58.58408 
1 1 1 -13 6   1  o 234.4979 26.95738 9.343163       3.927593  15.32421       3.776985  -61.15074      57.50318 
1 1 1 -13 6   2  o 366.0784 20.10512 29.45578       4.700520  30.16037       4.409536  -5.170319      40.82401 
1 1 1 -13 6   3  o 159.5293 37.45820 4.897229       3.773357  7.038693       3.525478  -23.82011      67.58578 
1 1 1 -13 6   4  f 365.6671 21.18472 27.59290       4.882236  31.85769       4.692930  -27.56799      43.25316 
1 1 1 -13 6   5  o 341.5283 22.40246 28.83447       5.056932  23.93294       4.442389  31.44550       45.56903 
1 1 1 -13 6   6  o 90.63828 39.82551 0.1427582      4.694229  -0.9523111     4.018525  14.57700       67.40791 
1 1 1 -13 6   7  o 115.6780 41.30911 4.448653       4.073206  1.643798       3.485672  29.78976       68.41823 
1 1 1 -13 6   8  o 231.4744 29.64423 13.98127       4.400876  11.24398       3.953056  25.12784       61.93739 
1 1 1 -13 6   9  o 174.4030 48.09830 0.000000       0.000000  7.977770       3.798427  ?              ?        
1 1 1 -13 6   10 o 193.8977 47.09230 0.000000       0.000000  10.06608       3.964829  ?              ?        
1 1 1 -13 6   11 o 154.3951 39.95174 7.133553       3.964538  5.649542       3.754787  14.84581       70.67447 
1 1 1 -13 6   12 o 93.74917 39.03189 1.045495       3.911911  1.656800       3.619721  -1.753670      63.36621 
1 1 1 -13 6   13 o 155.9138 39.31055 7.227522       4.038440  6.384474       3.600170  6.127274       70.38947 
1 1 1 -13 6   14 o 65.49125 31.22773 -2.030349      3.738418  -2.099564      3.335932  4.530350       52.86731 
1 1 1 -13 6   15 o 91.93538 39.00872 0.3099645      3.987123  2.914045       3.755217  -13.93041      62.10012 
1 1 1 -13 6   16 o 80.14935 36.10418 -1.308208      3.910465  2.105608       3.663641  -14.96730      57.92950 
1 1 1 -13 6   17 o 134.9064 43.08638 11.38033       4.458251  2.758128       3.766905  64.21458       69.25477 
1 1 1 -13 7   1  o 154.0992 38.17645 4.445720       3.748821  6.703197       3.522475  -24.66568      67.71707 
1 1 1 -13 7   2  o 341.2158 20.98385 26.40674       4.591873  25.61353       4.266134  4.483582       42.66413 
1 1 1 -13 7   3  o 143.6221 41.22683 7.768188       4.041347  2.452716       3.710215  55.96967       69.00395 
1 1 1 -13 7   4  o 135.2409 42.20464 6.671561       4.147519  2.259016       3.735180  45.58624       70.25755 
1 1 1 -13 7   5  o 71.32208 33.83381 -8.369816      4.210008  1.088226       3.865655  -38.69321      59.60901 
1 1 1 -13 7   6  o 161.9393 40.14390 5.257848       4.196172  7.254604       3.850729  -20.62946      71.45660 
1 1 1 -13 7   7  o 108.7110 41.25367 5.557236       4.161202  -0.2466545     3.569656  53.40114       67.52558 
1 1 1 -13 7   8  o 324.8138 22.10921 20.34180       4.608126  26.97120       4.267831  -50.09766      46.78829 
1 1 1 -13 7   9  o 268.1849 26.63619 15.15969       4.672668  17.97700       4.123975  -29.93932      57.73937 
1 1 1 -13 7   10 o 117.4859 41.84328 -0.7618353     4.003855  6.843194       3.695272  -61.21008      65.38638 
1 1 1 -13 7   11 o 179.3789 36.58825 7.650151       4.097540  9.014247       3.787106  -17.48624      70.25444 
1 1 1 -13 7   12 o 90.01675 38.57917 0.2599509E-01  4.115790  1.622681       3.628031  -5.645134      62.70347 
1 1 1 -13 7   13 o 192.5242 36.20642 9.608661       4.288585  10.30567       4.052148  -10.56635      72.21953 
1 1 1 -13 7   14 o 103.7245 41.16032 4.807700       4.209274  1.457543       3.729323  23.52033       65.70120 
1 1 1 -13 7   15 o 108.0958 40.98019 2.781990       3.979052  4.082659       3.605937  -8.732964      64.87287 
1 1 1 -13 7   16 o 114.1576 41.37531 3.879219       4.029931  4.743915       3.560478  -7.073456      65.26926 
1 1 1 -13 7   17 o 85.76253 37.63022 1.760091       4.001303  1.469273       3.700494  2.545769       59.09793 
1 1 1 -13 8   1  o 359.2467 20.67723 25.80913       4.570592  31.79084       4.606447  -38.51062      42.14831 
1 1 1 -13 8   2  o 178.4978 37.81207 6.120229       4.075830  8.937420       4.037195  -30.81326      70.31149 
1 1 1 -13 8   3  o 292.9740 24.91485 16.17207       4.563436  22.24538       4.410588  -49.63318      52.47427 
1 1 1 -13 8   4  o 141.2753 42.38504 2.871261       4.057040  6.469102       3.962787  -34.78683      71.00072 
1 1 1 -13 8   5  o 132.3378 43.58942 4.782349       4.295578  3.373492       4.011720  14.59428       72.70132 
1 1 1 -13 8   6  o 93.87378 39.35165 3.479710       4.116180  -1.572455      3.643262  41.02824       65.60826 
1 1 1 -13 8   7  o 225.4354 30.42068 9.419250       4.284636  14.06566       4.019328  -50.06195      64.02649 
1 1 1 -13 8   8  o 127.7998 41.69093 6.242585       4.007201  2.173100       3.616728  40.14769       68.89697 
1 1 1 -13 8   9  o 95.94113 39.38924 -1.263268      3.852056  3.603897       3.663353  -32.56686      63.92448 
1 1 1 -13 8   10 o 89.53421 38.09645 1.802525       3.832118  -0.1446237     3.589786  14.99309       62.62103 
1 1 1 -13 8   11 o 279.7523 27.00847 16.82814       4.669179  21.01182       4.589331  -38.10172      59.09650 
1 1 1 -13 8   12 o 79.27824 35.72785 1.026336       3.963372  -1.288729      3.495337  16.82940       59.42267 
1 1 1 -13 8   13 o 123.7427 42.51231 1.146467       4.034590  7.733401       3.855892  -52.78029      66.86665 
1 1 1 -13 8   14 o 222.3848 32.78812 15.54638       4.700083  11.72832       4.130105  28.26013       71.51009 
1 1 1 -13 8   15 o 124.0395 42.94792 2.806207       4.238649  6.993777       3.842862  -32.17043      67.66670 
1 1 1 -13 8   16 o 76.28347 36.08889 -0.9105361     4.085167  -0.4422365     5.137795  -7.058640      58.38467 
1 1 1 -13 8   17 o 69.59417 32.81315 -0.2053503     3.963801  -1.034958      3.450263  6.529877       53.30021 
1 1 1 -13 9   1  o 370.3021 22.12762 26.51494       4.970595  35.04751       5.153707  -52.94580      45.21705 
1 1 1 -13 9   2  o 157.6755 41.33994 6.112793       4.152139  5.799315       4.034756  3.585526       72.76059 
1 1 1 -13 9   3  o 161.4511 43.01879 6.724352       4.433188  5.871311       4.340010  8.743774       75.34618 
1 1 1 -13 9   4  o 137.7710 44.14057 5.662253       4.361083  3.349273       4.180963  22.13582       73.73435 
1 1 1 -13 9   5  o 256.9588 27.38800 10.94860       4.247663  19.51328       4.350911  -79.05360      58.94415 
1 1 1 -13 9   6  o 118.1996 42.93083 3.516924       4.257152  2.570120       3.897431  10.49599       70.67949 
1 1 1 -13 9   7  o 156.0339 40.53009 8.042841       4.167334  4.533884       3.776794  36.71698       71.06015 
1 1 1 -13 9   8  o 220.1870 32.03101 11.66866       4.509854  11.66969       4.025015  -4.142731      67.16692 
1 1 1 -13 9   9  o 129.2475 41.75271 3.242782       3.922687  5.308284       3.712951  -18.45737      69.06577 
1 1 1 -13 9   10 o 128.0730 42.18818 2.894262       4.020445  5.826676       3.760661  -25.31915      68.94465 
1 1 1 -13 9   11 o 224.0326 30.69515 10.25928       4.349944  14.59897       3.981866  -51.38739      66.27572 
1 1 1 -13 9   12 o 119.3479 42.46013 5.849784       4.353598  2.833852       3.646429  24.58976       69.10394 
1 1 1 -13 9   13 o 77.65456 35.68254 4.089818       4.397243  -3.433032      3.587055  42.33183       60.75170 
1 1 1 -13 9   14 o 72.61176 33.85073 -1.638817      3.906799  0.5582822E-01  3.579801  -4.716621      55.34645 
1 1 1 -13 9   15 f 186.9859 37.55967 7.270139       4.221135  13.56191       4.189419  -63.54788      70.81578 
1 1 1 -13 9   16 o 89.03085 38.60826 5.859794       4.150436  -1.078319      3.765198  36.91892       61.27549 
1 1 1 -13 9   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -13 10  1  o 331.0597 25.74661 23.09231       5.413472  26.15481       5.092919  -22.98392      53.32937 
1 1 1 -13 10  2  o 215.6629 37.18837 11.85755       4.942913  10.20250       4.660395  15.81915       73.97612 
1 1 1 -13 10  3  o 263.4161 28.13486 15.94705       4.636259  15.81817       4.423642  0.3997803E-01  58.74743 
1 1 1 -13 10  4  o 207.3962 34.63622 12.20482       4.527122  8.542912       4.102196  37.08478       69.22810 
1 1 1 -13 10  5  o 139.7884 43.46761 3.697841       4.269922  5.797132       4.072438  -18.71368      72.79768 
1 1 1 -13 10  6  o 129.0607 42.01896 3.185448       3.980520  4.832533       3.746046  -14.20853      69.77081 
1 1 1 -13 10  7  o 98.63038 40.35940 4.402617       4.238611  -0.8831087     3.671880  42.73901       66.59298 
1 1 1 -13 10  8  o 105.6819 41.05603 0.1221388      3.997351  4.160079       3.729794  -28.38288      66.17146 
1 1 1 -13 10  9  o 78.98912 35.88348 1.949681       4.037692  -2.980722      3.651011  30.61333       60.72339 
1 1 1 -13 10  10 o 99.38476 40.81337 1.256238       4.186957  2.594877       3.892768  -6.771179      65.60743 
1 1 1 -13 10  11 o 84.42622 37.40461 2.446618       4.153224  -1.329462      3.660773  24.73511       61.75140 
1 1 1 -13 10  12 o 87.58912 37.98772 2.500796       4.155097  -0.2260203E-01 3.553121  18.22748       61.76817 
1 1 1 -13 10  13 o 160.0410 40.19836 7.494552       4.300532  7.980023       3.729901  -10.62442      71.61430 
1 1 1 -13 10  14 o 82.02280 36.67011 1.744750       4.019225  0.7774638E-01  3.647979  10.12888       58.68551 
1 1 1 -13 10  15 o 143.2701 43.05915 5.231791       4.200640  9.193305       4.072199  -32.99541      70.05117 
1 1 1 -13 10  16 o 86.64846 37.97853 -0.8449000     4.161708  4.167477       3.689269  -22.51328      58.89251 
1 1 1 -13 11  1  o 353.8494 24.55839 26.24244       5.379886  30.32922       5.334645  -27.27545      50.52007 
1 1 1 -13 11  2  f 220.5505 34.40577 13.96916       4.795462  9.443974       4.344894  44.09117       69.74282 
1 1 1 -13 11  3  o 109.0383 42.37710 3.611972       4.306604  0.8311542      3.938258  24.40967       69.64721 
1 1 1 -13 11  4  o 114.0998 42.91435 2.604726       4.469704  2.667807       3.849609  4.332657       70.53193 
1 1 1 -13 11  5  o 172.3162 38.89059 7.558682       4.277302  7.277021       3.869442  2.037659       72.02090 
1 1 1 -13 11  6  o 123.6923 43.40835 5.829172       4.324145  1.935410       3.943371  34.57205       71.05511 
1 1 1 -13 11  7  o 210.2125 33.99866 15.17619       4.705225  7.885752       3.955859  70.12137       68.46455 
1 1 1 -13 11  8  o 169.1063 40.21987 6.663733       4.258368  8.428422       4.062960  -19.08836      72.98096 
1 1 1 -13 11  9  o 111.8737 41.65181 4.954925       4.014686  1.727932       3.732226  26.14359       67.26378 
1 1 1 -13 11  10 o 120.8004 42.80682 3.873277       4.173201  4.452760       3.872834  -4.143593      69.12025 
1 1 1 -13 11  11 o 118.9187 46.28424 6.132128       4.360537  0.8507772      5.733712  27.12634       72.06039 
1 1 1 -13 11  12 o 76.57781 35.35337 0.5698279      4.167108  -1.346050      3.717596  11.92159       58.10534 
1 1 1 -13 11  13 f 65.13741 31.48889 -7.245247      4.012946  1.804064       3.740449  -29.28359      53.63879 
1 1 1 -13 11  14 o 135.0804 42.77763 13.17162       4.392074  1.373039       3.725885  92.08531       66.68555 
1 1 1 -13 11  15 o 141.7514 44.21334 8.059604       4.679473  7.375092       4.013450  -1.696205      71.13706 
1 1 1 -13 11  16 o 90.88748 39.43918 3.394401       4.321540  2.309520       3.945782  5.177643       60.22633 
1 1 1 -13 12  1  o 130.6119 52.10354 3.102510       4.495881  0.000000       0.000000  ?              ?        
1 1 1 -13 12  2  o 308.1320 26.02280 23.69113       5.135515  20.18246       4.742982  24.57138       54.06132 
1 1 1 -13 12  3  o 171.4029 42.15335 2.344140       4.593649  11.94563       4.319575  -91.06815      69.75166 
1 1 1 -13 12  4  o 126.8453 44.29255 0.7484954      4.523600  6.453458       4.083760  -43.69852      70.96574 
1 1 1 -13 12  5  o 249.5456 30.19041 14.32775       4.876222  15.28100       4.329443  -14.56152      65.04836 
1 1 1 -13 12  6  o 226.8198 32.88423 9.972507       4.727883  14.80407       4.288341  -53.78391      69.30666 
1 1 1 -13 12  7  o 155.5164 42.58344 4.887036       4.415937  8.033880       4.061723  -30.65268      72.99877 
1 1 1 -13 12  8  o 140.0500 44.11224 5.826867       4.549742  5.483254       4.049894  2.444550       73.42175 
1 1 1 -13 12  9  o 92.73550 39.75954 -3.880058      4.184581  6.056644       4.003305  -56.64494      63.58484 
1 1 1 -13 12  10 o 114.8920 43.63174 0.3255230      4.513110  6.597286       4.093550  -41.29787      68.32623 
1 1 1 -13 12  11 o 82.88066 38.77396 -0.6886640     4.400547  -0.9301867     5.832577  -7.510460      63.40475 
1 1 1 -13 12  12 o 125.5277 43.93099 2.840975       4.517870  7.367125       3.971817  -33.31970      68.65791 
1 1 1 -13 12  13 o 103.8553 41.70147 3.287638       4.399139  3.918899       3.854974  -3.559044      64.52798 
1 1 1 -13 12  14 o 76.13867 35.22446 -1.223756      4.123960  1.348058       3.751587  -8.388077      56.10799 
1 1 1 -13 12  15 o 92.65704 40.84591 5.319514       5.897191  1.973366       3.870135  12.88331       63.13992 
1 1 1 -13 12  16 o 107.7032 46.44323 7.150848       5.970985  5.626432       5.364089  3.281555       67.05107 
1 1 1 -13 13  1  o 103.8872 42.48516 5.096452       4.434725  -1.697770      4.262405  47.17741       69.15629 
1 1 1 -13 13  2  o 202.7752 35.97524 13.03534       4.632425  7.809215       4.129687  51.89511       70.92868 
1 1 1 -13 13  3  o 103.2352 41.62909 4.652233       4.276744  -0.6270344     3.951927  39.74680       67.90524 
1 1 1 -13 13  4  o 168.4850 41.49941 3.815778       4.523162  10.48192       4.121482  -65.54237      71.08356 
1 1 1 -13 13  5  o 218.6621 35.22144 13.88881       4.953720  10.55731       4.337773  27.91022       72.82217 
1 1 1 -13 13  6  o 84.84737 37.95107 4.668669       4.522459  -3.575961      3.772591  52.83331       64.62949 
1 1 1 -13 13  7  o 115.2449 43.37936 5.278544       4.502353  2.169550       3.979515  23.99320       70.02322 
1 1 1 -13 13  8  o 125.6164 44.02825 7.158076       4.474810  2.721299       4.035675  34.07468       71.03809 
1 1 1 -13 13  9  o 253.7237 31.36760 14.08593       5.026870  18.75913       4.658019  -52.51508      70.22730 
1 1 1 -13 13  10 o 95.16527 41.93324 -4.260048      6.626943  3.639757       3.971592  -17.91692      65.86665 
1 1 1 -13 13  11 o 107.9101 48.02751 3.618513       4.579652  0.000000       0.000000  ?              ?        
1 1 1 -13 13  12 o 125.2696 51.96239 7.500730       4.683966  0.000000       0.000000  ?              ?        
1 1 1 -13 13  13 o 82.22428 38.27604 5.278311       6.317814  -1.361458      3.959467  28.37688       63.19213 
1 1 1 -13 13  14 o 103.9777 46.22522 5.082264       6.260070  5.469826       5.738799  -1.882790      67.56138 
1 1 1 -13 13  15 o 74.14282 36.38985 -1.041953      5.912799  -1.728255      5.590020  2.243004       56.92154 
1 1 1 -13 14  1  o 250.9690 32.44590 9.129978       4.965637  21.36469       4.901253  -114.9639      69.07203 
1 1 1 -13 14  2  o 125.5425 44.89458 4.416887       4.708915  3.689596       4.187376  7.589867       73.34100 
1 1 1 -13 14  3  o 88.19151 39.41853 1.673232       4.689868  -1.720539      4.177331  22.12058       65.71053 
1 1 1 -13 14  4  o 93.46642 40.02094 2.752859       4.557384  -0.3251560     3.811809  24.20512       66.06366 
1 1 1 -13 14  5  o 85.24056 38.21636 2.535651       4.568179  -1.990166      3.877733  29.24821       63.90498 
1 1 1 -13 14  6  o 126.4540 44.72283 2.892372       4.687113  6.136230       4.126719  -23.32440      71.40685 
1 1 1 -13 14  7  o 148.5574 44.75857 10.67354       4.788954  3.793101       4.196869  55.45422       74.03831 
1 1 1 -13 14  8  o 117.7790 44.92387 3.435459       4.785873  4.743742       4.360132  -7.829285      71.06962 
1 1 1 -13 14  9  o 94.88303 42.46514 7.766368       7.544100  -0.5853816     4.145169  41.08046       72.49088 
1 1 1 -13 14  10 o 123.4676 52.44585 1.450714       8.138903  9.390167       6.237102  -27.78149      77.84586 
1 1 1 -13 14  11 o 90.66638 42.86020 -0.8272468E-01 6.581421  1.655716       6.150683  -3.373398      66.36303 
1 1 1 -13 14  12 o 131.5972 52.21279 9.181687       6.603403  8.433083       6.126068  0.7264938      76.26286 
1 1 1 -13 14  13 o 79.75993 38.67833 -7.053835      6.169428  5.064620       5.761952  -25.42529      61.30614 
1 1 1 -13 14  14 o 85.09197 39.87038 -0.7564735     4.849804  6.077420       5.869268  -19.68340      61.31955 
1 1 1 -13 14  15 o 69.93047 34.14750 -1.081966      4.438335  -0.7071553     5.451418  -3.893768      53.51795 
1 1 1 -13 15  1  o 122.5096 50.87408 7.610597       6.812478  0.3192233      5.986334  37.87267       81.68764 
1 1 1 -13 15  2  o 80.31832 39.00989 -6.827083      6.598960  -3.262445      5.732591  -2.978966      66.10249 
1 1 1 -13 15  3  f 145.6191 54.60238 2.664106       6.972846  10.69616       6.398515  -42.22910      84.87730 
1 1 1 -13 15  4  o 124.2368 50.21238 3.303410       6.452417  5.542544       5.609679  -9.624474      78.55101 
1 1 1 -13 15  5  o 149.8833 54.76364 6.373899       7.631779  9.156470       5.940269  -17.60907      85.04460 
1 1 1 -13 15  6  o 101.7107 46.14946 2.874218       6.616009  -0.2229909     6.044690  12.94231       73.45461 
1 1 1 -13 15  7  o 73.54358 36.37979 -6.094618      6.641286  -6.013589      5.726352  5.723732       61.57544 
1 1 1 -13 15  8  o 148.6602 55.15585 14.91289       7.567517  5.422031       6.177392  38.88955       85.38737 
1 1 1 -13 15  9  o 87.31437 41.84432 2.371166       7.190696  -3.077784      5.966406  17.12973       67.09232 
1 1 1 -13 15  10 o 130.0305 57.58699 0.000000       0.000000  10.89562       6.503161  ?              ?        
1 1 1 -13 15  11 o 76.34396 36.97301 -0.3221579     4.803535  -3.027748      6.279717  0.6620865      58.74534 
1 1 1 -13 15  12 o 91.50186 42.98898 7.829714       6.744539  -1.622503      5.797941  24.33927       66.12360 
1 1 1 -13 15  13 o 105.3932 46.51921 7.903264       6.681127  5.363183       5.420568  4.067223       66.80731 
1 1 1 -13 15  14 o 74.86114 36.84400 -2.743093      6.387219  1.219476       5.711575  -5.470238      56.44963 
1 1 1 -13 16  1  o 90.32122 39.96763 4.655417       4.768523  -2.414710      4.139957  40.70662       66.12632 
1 1 1 -13 16  2  o 79.18035 37.00518 -2.284763      4.840855  -0.6326040     4.232311  -1.594391      61.28660 
1 1 1 -13 16  3  o 96.53678 41.64913 6.467437       4.973962  -2.007047      4.207218  49.80230       68.33199 
1 1 1 -13 16  4  o 76.68140 36.57895 -0.7732968     5.306405  -3.423462      4.478990  15.25993       61.54697 
1 1 1 -13 16  5  o 89.21094 42.52975 3.951511       6.800278  -6.492088      6.276489  31.34084       70.26827 
1 1 1 -13 16  6  o 132.1494 52.70229 7.006601       6.510397  6.638752       6.496264  1.598656       80.20265 
1 1 1 -13 16  7  o 109.0038 47.69870 8.945310       6.290216  -0.7891816     5.992688  36.71725       73.89569 
1 1 1 -13 16  8  o 125.5131 51.70438 3.722610       6.316598  10.86772       6.693974  -26.81100      77.37332 
1 1 1 -13 16  9  o 97.99538 44.99261 3.243228       6.713546  2.941784       5.841540  1.540031       67.96340 
1 1 1 -13 16  10 o 89.64225 41.82127 -0.4320253     6.176040  3.706010       5.342846  -9.992493      63.68944 
1 1 1 -13 16  11 o 80.40076 38.76574 -1.555689      5.801450  1.297881       5.741897  -6.350769      60.20871 
1 1 1 -13 16  12 o 79.18391 38.36372 -5.092109      5.904256  6.084776       5.747093  -23.04792      59.39756 
1 1 1 -13 16  13 o 94.43253 41.11560 2.688653       4.845221  5.350516       4.236111  -11.09972      60.41150 
1 1 1 -13 16  14 f 82.01549 38.53448 6.096924       6.627938  1.437148       4.176785  10.05897       57.69277 
1 1 1 -13 17  1  o 101.1586 46.36020 5.004000       7.389544  -1.603878      5.983004  26.03714       74.71163 
1 1 1 -13 17  2  f 134.4871 53.99185 1.819941       7.220714  10.99408       6.569333  -39.81661      82.06082 
1 1 1 -13 17  3  o 110.4912 48.63456 -0.4776052E-01 6.775367  6.249783       6.192896  -21.57404      75.08935 
1 1 1 -13 17  4  o 102.5092 46.29146 12.01694       7.290762  -3.351739      5.571556  57.31774       76.10126 
1 1 1 -13 17  5  o 85.98724 41.13202 3.328133       6.926280  -4.058644      5.679858  23.75797       67.01076 
1 1 1 -13 17  6  o 69.99049 33.97532 -5.250582      5.110235  -0.7752680     4.257271  -6.918892      55.98135 
1 1 1 -13 17  7  o 66.57936 32.50546 -1.864592      4.634426  -3.587351      4.206743  7.633720       53.88904 
1 1 1 -13 17  8  o 75.66917 35.79008 1.224214       4.559017  -1.654560      4.334852  10.44252       57.08010 
1 1 1 -13 17  9  o 99.87318 42.49831 4.284020       4.936138  3.482545       4.342972  3.210449       64.30219 
1 1 1 -13 17  10 o 75.98524 36.68484 -0.6645437     7.514637  -0.4386553     4.226426  8.252960       58.21463 
1 1 1 -13 17  11 o 102.5618 43.31237 2.553241       5.107991  7.366893       4.423089  -21.00140      63.13381 
1 1 1 -13 17  12 o 67.61913 33.00343 -0.9554225     4.672238  -1.046813      4.402849  1.142540       51.81218 
1 1 1 -13 17  13 o 67.22339 32.54719 1.415708       4.499693  -1.412799      3.910202  8.922600       50.79260 
1 1 1 -13 18  1  o 98.17723 41.82160 0.6681873      4.806919  3.860006       4.201704  -14.10136      65.34014 
1 1 1 -13 18  2  o 64.01251 31.45463 -5.174842      4.573685  -2.814343      4.125250  -2.895256      53.10686 
1 1 1 -13 18  3  o 111.6655 44.12769 1.182631       4.758447  6.933003       4.313764  -32.55062      67.77355 
1 1 1 -13 18  4  o 93.28368 41.53455 2.104887       5.123053  2.169681       4.614396  0.9510117      64.42590 
1 1 1 -13 18  5  o 102.6502 43.10443 2.721976       5.158302  4.486354       4.254005  -8.048744      65.64678 
1 1 1 -13 18  6  o 95.75922 41.51095 0.3643510      5.057246  4.928716       4.178828  -18.50120      63.12978 
1 1 1 -13 18  7  o 79.95465 37.13942 -3.081538      4.808111  3.478714       4.128700  -20.31721      58.27389 
1 1 1 -13 18  8  f 87.93976 39.32462 3.283590       4.883728  1.609323       4.030163  7.762909       60.48469 
1 1 1 -13 18  9  o 66.46497 32.45790 -1.053427      4.902215  -2.044816      4.026548  6.307503       52.10746 
1 1 1 -13 18  10 o 95.16027 41.83249 3.418866       5.470990  5.079268       4.281741  -7.625618      61.05642 
1 1 1 -13 18  11 o 65.95185 32.44102 -1.118429      5.142054  -1.672228      4.271519  4.047592       51.10972 
1 1 1 -13 18  12 o 57.68673 28.98702 -7.565731      4.939551  -1.150002      4.331131  -7.992050      46.85749 
1 1 1 -13 19  1  o 95.10729 41.51275 4.387093       4.811115  0.9050928      4.453882  16.18754       64.59754 
1 1 1 -13 19  2  o 65.67475 32.19082 -5.065586      4.642010  -1.588255      4.278522  -6.801842      53.41453 
1 1 1 -13 19  3  o 95.17207 41.34748 2.124644       4.764163  3.325657       4.345465  -4.696808      63.53224 
1 1 1 -13 19  4  o 70.08369 33.86489 2.923023       4.951456  -4.941890      4.095585  28.35111       56.96640 
1 1 1 -13 19  5  o 110.8134 45.14662 10.61170       5.329736  1.339520       4.535729  42.34212       69.31327 
1 1 1 -13 19  6  o 125.5487 46.90113 6.404477       5.438416  7.838903       4.510187  -12.74938      69.83388 
1 1 1 -13 19  7  o 80.44358 37.62916 1.765404       5.265254  1.207381       4.249405  3.450058       57.60918 
1 1 1 -13 19  8  o 81.74410 38.00164 1.914712       5.190532  2.142656       4.253272  0.2560349      57.30558 
1 1 1 -13 19  9  o 75.34927 35.79832 2.322569       5.056720  0.9925864E-01  4.157491  7.644958       54.92253 
1 1 1 -13 19  10 o 72.16757 34.70882 -1.995573      5.098817  2.583948       4.160419  -9.196274      52.78403 
1 1 1 -13 19  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -13 20  1  o 74.80170 35.57690 -0.2417999     4.604660  -0.5234246     4.421117  1.650482       56.39270 
1 1 1 -13 20  2  o 63.00222 31.16364 -6.801411      4.631038  -0.5088179     4.376498  -13.15597      51.63759 
1 1 1 -13 20  3  o 105.0379 43.65788 3.767742       4.759114  5.982238       4.622490  -10.15090      64.94250 
1 1 1 -13 20  4  o 78.39237 36.74817 -0.1936434     4.654970  1.946718       4.360145  -5.975723      56.72694 
1 1 1 -13 20  5  o 82.51457 38.20020 4.954104       4.896982  -0.5703883     4.397871  18.46852       58.72863 
1 1 1 -13 20  6  o 77.78440 36.87817 0.7450831E-01  5.187253  1.798427       4.440753  -3.207214      56.29117 
1 1 1 -13 20  7  o 81.51205 37.96371 5.890557       5.214041  -0.2419537     4.277664  18.52512       57.93309 
1 1 1 -13 20  8  o 66.27480 32.59898 -5.607047      5.092706  2.166149       4.371480  -13.74015      51.15513 
1 1 1 -13 20  9  o 102.8586 45.47097 21.93749       8.681222  4.012555       4.559752  19.68156       64.90439 
1 1 1 -13 21  1  o 81.70430 38.24150 2.405592       4.956437  0.4566272      4.734893  6.257813       58.60535 
1 1 1 -13 21  2  o 100.6187 43.27663 4.071228       5.035149  5.459428       4.730467  -5.926132      63.60330 
1 1 1 -13 21  3  o 74.17448 35.55652 -1.379884      4.747290  1.730480       4.645288  -7.938629      55.12714 
1 1 1 -13 21  4  o 96.22495 42.22699 6.263519       5.045240  3.350740       4.657377  9.368011       61.70856 
1 1 1 -13 21  5  o 63.85591 31.51399 2.270646       4.778485  -5.349758      4.279376  18.62387       51.15701 
1 1 1 -13 21  6  o 65.06236 32.91264 1.927566       7.401587  -8.937601      5.894377  15.52939       52.71167 
1 1 1 -12 -22 1  o 119.5053 51.97800 1.813476       7.083277  5.230648       7.306289  -13.22303      81.40372 
1 1 1 -12 -21 1  f 99.40839 45.57037 0.3959559      6.455962  -0.5978166     6.267491  4.497101       73.78340 
1 1 1 -12 -21 2  o 88.71678 42.19682 -0.3357898     6.612689  -4.624782      6.109063  16.08134       70.31187 
1 1 1 -12 -21 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -12 -20 1  o 164.0262 55.50336 2.011868       6.674223  15.12620       6.757344  -80.72849      86.95336 
1 1 1 -12 -20 2  o 123.3382 51.23962 0.5282722      6.570636  6.540205       6.345355  -27.46220      81.11924 
1 1 1 -12 -20 3  o 124.9959 52.40773 7.724909       7.373316  0.9917644      6.415934  32.10766       83.54931 
1 1 1 -12 -20 4  o 116.9089 50.84029 4.000250       7.143673  1.630918       6.640661  10.99847       80.59730 
1 1 1 -12 -19 1  o 110.6164 48.83952 5.116235       6.903868  -2.374768      6.274037  34.91324       79.94653 
1 1 1 -12 -19 2  o 149.6767 55.45458 6.364098       7.241874  7.083979       6.492766  -3.465256      88.28508 
1 1 1 -12 -19 3  o 145.1396 55.36608 8.615218       7.462098  4.375978       6.487618  23.40533       88.39061 
1 1 1 -12 -19 4  o 92.65970 43.97332 -0.1147318E-01 7.185327  -4.953678      6.496887  18.84275       73.41865 
1 1 1 -12 -19 5  o 174.6858 57.57678 12.39108       7.669645  8.495542       6.864958  20.18582       93.26096 
1 1 1 -12 -18 1  o 167.0916 59.72213 2.071864       8.066223  13.50435       7.613470  -62.27232      94.19481 
1 1 1 -12 -18 2  o 136.9043 56.27692 -3.223879      8.173842  10.40373       7.258662  -57.04626      88.36245 
1 1 1 -12 -18 3  o 94.92944 44.61744 -1.297696      7.180053  -3.300697      6.321162  12.22095       74.52445 
1 1 1 -12 -18 4  o 268.7444 46.18950 20.92271       7.719641  18.49971       7.157559  12.57951       95.71259 
1 1 1 -12 -18 5  o 96.42909 44.60721 1.099476       6.381172  -3.098917      6.205669  15.92460       73.41711 
1 1 1 -12 -18 6  o 154.1655 64.61040 0.000000       0.000000  8.379149       7.351644  ?              ?        
1 1 1 -12 -17 1  o 205.9358 77.81885 7.667415       14.20783  20.65851       13.06414  -46.80817      120.5876 
1 1 1 -12 -17 2  o 139.7311 60.19302 4.084193       7.869844  0.9721852      12.70064  -7.342773      97.86096 
1 1 1 -12 -17 3  o 120.2684 52.43124 1.323086       7.596030  1.921609       7.133888  -0.5624390E-01 84.76091 
1 1 1 -12 -17 4  o 103.6144 48.17622 -2.423698      8.043486  -1.111823      7.023541  1.986824       79.40055 
1 1 1 -12 -17 5  o 161.5922 53.57723 4.560135       6.435731  10.54198       6.099741  -39.91989      86.52163 
1 1 1 -12 -17 6  o 118.8014 49.54235 4.347825       6.816074  2.135473       5.521536  15.79148       79.80151 
1 1 1 -12 -17 7  o 122.2540 48.46816 2.752648       5.338904  4.894365       5.609034  -13.20358      77.46700 
1 1 1 -12 -16 1  o 222.2921 48.25229 12.00554       6.780840  13.24220       6.184838  -12.98293      90.62627 
1 1 1 -12 -16 2  o 140.7195 52.90013 3.435047       6.384296  6.052278       6.155021  -14.96056      85.50668 
1 1 1 -12 -16 3  o 112.5665 54.75571 -0.2441107     13.06064  -16.00348      11.45990  37.83555       94.26277 
1 1 1 -12 -16 4  o 79.76670 38.57241 -3.743513      5.767865  -6.524107      5.867290  7.605225       66.65602 
1 1 1 -12 -16 5  o 161.6510 55.63262 11.55942       7.117774  4.513032       6.437243  44.10860       90.15808 
1 1 1 -12 -16 6  o 164.2088 51.84847 11.55390       6.480112  5.153586       5.462914  45.36514       86.26609 
1 1 1 -12 -16 7  o 118.6027 47.20968 3.056660       5.288933  3.556906       5.131878  -2.297600      75.69436 
1 1 1 -12 -16 8  o 119.3819 47.91932 1.910405       5.391192  4.943022       5.433276  -17.36260      76.57812 
1 1 1 -12 -15 1  o 170.5110 49.14471 5.514122       5.526484  9.091474       5.438287  -30.04494      83.59286 
1 1 1 -12 -15 2  o 295.5504 33.60469 20.58309       6.272609  20.54122       5.852557  -2.785187      71.45222 
1 1 1 -12 -15 3  f 310.7357 33.22401 20.96647       6.207268  25.15669       6.407192  -31.07208      71.16176 
1 1 1 -12 -15 4  o 234.0706 71.74989 21.67809       11.90708  13.61275       10.95919  38.54034       119.0447 
1 1 1 -12 -15 5  o 178.2353 69.56518 7.947237       10.70191  12.23652       11.57584  -17.07356      109.4446 
1 1 1 -12 -15 6  o 91.19670 42.61234 -2.452354      5.891106  -2.092394      6.052233  -2.603989      71.39000 
1 1 1 -12 -15 7  o 92.28530 42.22138 -0.1319848     5.622601  -1.850532      5.243799  10.26805       70.24580 
1 1 1 -12 -15 8  o 104.7904 44.55771 0.5337713      5.027840  2.748965       5.097724  -12.20794      72.06728 
1 1 1 -12 -15 9  o 127.1597 48.05407 7.544707       5.369232  1.558761       5.020657  39.57193       76.96484 
1 1 1 -12 -14 1  o 408.4407 24.59237 34.89469       6.098547  40.38436       6.310826  -30.53665      50.18039 
1 1 1 -12 -14 2  o 147.6496 47.58006 5.837826       5.023788  4.730283       4.887500  9.859238       79.48219 
1 1 1 -12 -14 3  o 275.0970 33.31745 13.54455       5.466102  22.34537       5.679729  -74.90410      70.89159 
1 1 1 -12 -14 4  o 205.8420 41.94952 8.623307       4.846356  13.36340       5.579774  -42.06656      80.00810 
1 1 1 -12 -14 5  o 195.5772 42.68628 8.205402       4.719614  11.74540       5.418375  -31.29231      79.93878 
1 1 1 -12 -14 6  o 115.9849 54.17813 -3.162199      9.416249  -1.614609      9.877147  -6.569824      89.26586 
1 1 1 -12 -14 7  o 157.2977 64.08822 -5.712994      9.217008  24.26582       10.62068  -124.8644      101.2381 
1 1 1 -12 -14 8  o 146.7011 50.99420 7.635810       5.637356  4.331467       5.721098  22.47226       82.63630 
1 1 1 -12 -14 9  o 163.5226 51.81679 10.17767       5.860298  5.749561       5.930035  31.72237       85.04317 
1 1 1 -12 -14 10 o 219.6909 42.45365 7.867534       5.377629  19.12297       5.798411  -96.87698      79.47315 
1 1 1 -12 -13 1  f 328.7274 25.39435 22.13262       5.076019  26.56788       5.202735  -31.17407      52.14114 
1 1 1 -12 -13 2  o 163.9638 44.28246 6.430123       4.621948  6.620739       4.596158  -1.779022      77.30367 
1 1 1 -12 -13 3  o 498.1728 20.78693 53.98878       6.461174  57.05842       6.359252  -14.58459      42.15930 
1 1 1 -12 -13 4  o 167.7162 43.24039 6.496498       4.370687  7.599954       4.702303  -10.99820      76.61670 
1 1 1 -12 -13 5  o 78.62693 36.50478 -5.334805      4.011595  2.314519       4.589856  -44.80923      63.96622 
1 1 1 -12 -13 6  o 178.3663 40.18370 7.065195       4.310695  8.972926       4.368018  -19.66724      74.15635 
1 1 1 -12 -13 7  o 146.9557 50.41205 3.562803       7.362512  6.603947       4.629956  -11.94441      82.99885 
1 1 1 -12 -13 8  o 114.4711 53.90945 -2.452513      6.987766  0.000000       0.000000  ?              ?        
1 1 1 -12 -13 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -12 -13 10 o 154.8843 51.82811 5.699008       5.762107  8.653864       5.955042  -20.15450      84.44112 
1 1 1 -12 -13 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -12 -12 1  o 79.35075 37.09911 -5.061023      4.446930  -0.6313198     4.630957  -23.24884      64.78620 
1 1 1 -12 -12 2  o 384.9626 21.56907 26.40498       4.955132  40.70501       5.325018  -84.91016      44.27647 
1 1 1 -12 -12 3  o 514.9526 19.43578 60.00970       6.297045  58.06818       6.102229  8.203461       39.24155 
1 1 1 -12 -12 4  o 418.3281 20.93753 37.81903       5.352682  40.65390       5.481550  -15.26395      42.49360 
1 1 1 -12 -12 5  o 334.6198 23.17721 25.28071       4.701359  25.43367       4.865257  -0.2956238     47.54074 
1 1 1 -12 -12 6  o 114.1623 42.22013 3.304097       3.868515  2.268431       4.057627  7.044846       69.06919 
1 1 1 -12 -12 7  o 85.54138 40.08351 0.000000       0.000000  -2.768381      3.779712  ?              ?        
1 1 1 -12 -12 8  o 81.36154 38.28889 -0.2177405     4.111472  -9.416342      6.765656  5.469215       65.21266 
1 1 1 -12 -12 9  o 106.9712 48.49372 -1.362125      6.998945  0.8819588      6.901880  -7.663536      79.24794 
1 1 1 -12 -12 10 o 253.4655 52.57524 12.43295       8.005420  24.40620       7.984791  -88.00183      97.58796 
1 1 1 -12 -12 11 o 124.3668 54.28523 0.000000       0.000000  2.845269       5.589236  ?              ?        
1 1 1 -12 -11 1  o 497.8468 19.56902 50.22891       5.883600  60.00008       6.191416  -44.56436      39.43744 
1 1 1 -12 -11 2  o 261.6748 32.48577 18.58028       5.270857  12.86315       5.055812  50.68346       67.56817 
1 1 1 -12 -11 3  o 142.0461 44.41119 0.9153011      4.369794  8.373878       4.319119  -67.40772      71.42887 
1 1 1 -12 -11 4  o 290.8200 26.17183 15.81282       4.569445  22.77820       4.779618  -55.72708      54.75206 
1 1 1 -12 -11 5  f 223.4237 31.98553 14.21575       4.266295  8.963309       4.348270  54.71439       66.01357 
1 1 1 -12 -11 6  o 287.5280 25.14362 23.11999       4.587692  15.13798       4.304848  64.22581       52.99965 
1 1 1 -12 -11 7  o 298.5360 28.89601 18.62275       6.426242  21.95983       4.592841  -42.58054      67.83659 
1 1 1 -12 -11 8  o 80.71831 37.13913 -1.744298      5.583097  -1.522180      3.598822  20.56440       64.88203 
1 1 1 -12 -11 9  o 83.39071 37.02011 -0.8430895     3.825552  0.2680926      3.821089  -6.382271      61.61633 
1 1 1 -12 -11 10 o 149.8105 42.31688 4.087002       4.120492  7.906992       4.089447  -36.79410      71.77890 
1 1 1 -12 -11 11 o 180.1630 52.02400 5.065446       6.060335  14.56849       6.217977  -69.83403      85.77721 
1 1 1 -12 -11 12 o 89.52518 41.48856 -0.2171824E-01 4.610044  -4.434964      7.150155  -3.142403      69.21145 
1 1 1 -12 -10 1  o 438.4173 19.92548 45.84629       5.458220  39.48135       5.352831  33.23746       40.24927 
1 1 1 -12 -10 2  o 157.9500 42.76697 4.791002       4.267852  6.963053       4.317350  -22.06572      74.23673 
1 1 1 -12 -10 3  o 375.5055 27.60021 27.15790       7.882323  33.82591       5.506776  -50.07214      64.30700 
1 1 1 -12 -10 4  o 671.5673 18.47073 97.49070       7.584721  102.6173       7.794287  -17.12140      37.18103 
1 1 1 -12 -10 5  o 160.6655 40.46070 6.232646       3.937667  6.212526       4.128134  -0.1187439     72.08499 
1 1 1 -12 -10 6  o 198.4904 34.15550 10.72468       4.151997  8.040629       3.962325  28.83731       67.77538 
1 1 1 -12 -10 7  o 316.0230 24.49922 22.81358       4.893915  22.75343       4.646202  -0.9395752     50.65468 
1 1 1 -12 -10 8  f 250.4258 28.35781 14.09585       4.453856  15.19249       4.211854  -12.51253      60.20402 
1 1 1 -12 -10 9  o 119.1120 42.74209 3.835237       3.975816  2.806543       4.054921  8.055481       69.94284 
1 1 1 -12 -10 10 o 230.4151 31.43713 13.36397       4.357156  12.39246       4.395662  10.45653       66.65509 
1 1 1 -12 -10 11 o 185.8880 37.90700 10.05926       4.301623  7.777046       4.148025  23.30641       72.58895 
1 1 1 -12 -10 12 o 91.71453 42.22423 0.6203004      5.485003  -2.771230      5.599220  12.46890       69.76160 
1 1 1 -12 -10 13 o 132.8839 50.13169 6.881481       5.679019  3.259286       5.599481  21.99403       79.87893 
1 1 1 -12 -9  1  o 622.4753 17.16928 88.77265       6.757238  82.65624       6.497057  22.14978       34.49824 
1 1 1 -12 -9  2  f 229.4109 30.65963 13.75381       4.221445  10.12519       4.287288  37.16685       63.38391 
1 1 1 -12 -9  3  o 243.2652 29.91519 10.57214       4.343266  16.43758       4.499526  -56.15788      62.28441 
1 1 1 -12 -9  4  o 805.9280 18.54651 139.5133       9.150147  148.0219       9.398911  -23.81311      37.32179 
1 1 1 -12 -9  5  o 329.2220 23.05978 22.10960       4.584556  26.62965       4.780732  -31.36407      47.07790 
1 1 1 -12 -9  6  o 347.8800 22.01793 26.68358       4.654497  27.64520       4.803064  -5.915588      44.83543 
1 1 1 -12 -9  7  o 122.9171 42.27813 7.839767       4.039858  -0.4269635     3.772354  75.91465       66.64304 
1 1 1 -12 -9  8  o 157.2802 41.28669 5.268961       4.235234  7.072950       3.937799  -18.28529      72.37077 
1 1 1 -12 -9  9  o 366.9551 21.85480 31.20073       5.037195  30.09253       4.871500  6.130157       44.81283 
1 1 1 -12 -9  10 o 160.9753 39.87543 5.912975       3.973531  7.417557       3.948617  -15.92415      71.38574 
1 1 1 -12 -9  11 o 151.7945 42.34905 10.23620       4.185039  2.315105       4.092519  75.08108       69.20258 
1 1 1 -12 -9  12 o 73.95122 34.56075 0.4563074      3.928942  -4.081899      3.931325  21.11443       58.82387 
1 1 1 -12 -9  13 o 132.3225 46.84014 9.778586       5.929919  2.519328       4.146512  54.07024       78.19490 
1 1 1 -12 -8  1  o 309.0573 21.22176 20.74080       4.044606  21.72217       4.043049  -7.370392      43.06151 
1 1 1 -12 -8  2  o 245.3445 25.66249 10.72820       3.727045  16.73274       3.981395  -56.81606      53.61695 
1 1 1 -12 -8  3  o 264.6071 26.29668 14.82882       4.232972  16.63844       4.286144  -15.97023      54.23532 
1 1 1 -12 -8  4  o 452.4977 18.73473 46.16601       5.187397  44.41769       5.309423  9.076080       37.76532 
1 1 1 -12 -8  5  o 549.7412 17.96290 65.01516       6.012750  68.95750       6.227734  -16.08368      36.15203 
1 1 1 -12 -8  6  o 93.51298 39.15804 1.417497       3.774518  -0.3537757     3.854719  11.50835       65.03231 
1 1 1 -12 -8  7  o 160.0726 39.58056 7.688009       3.915737  4.759386       3.900003  31.52597       70.18647 
1 1 1 -12 -8  8  o 171.9664 38.25725 6.017381       3.915162  8.510605       4.039248  -27.10333      70.48260 
1 1 1 -12 -8  9  o 203.8663 34.40038 16.03231       4.313003  4.734241       4.087466  114.8558       64.89219 
1 1 1 -12 -8  10 o 189.0674 36.14510 8.313386       4.086441  9.342344       4.083004  -11.34412      70.48798 
1 1 1 -12 -8  11 o 118.5547 41.85934 2.950879       3.791641  3.973462       3.881995  -9.189980      68.54832 
1 1 1 -12 -8  12 o 91.64114 38.90966 -4.031799      3.715361  6.605111       4.001974  -74.18623      63.08327 
1 1 1 -12 -8  13 o 249.2842 29.65456 18.55302       4.424658  11.67356       4.570679  69.30531       65.19143 
1 1 1 -12 -8  14 o 66.08939 31.82301 -7.170003      3.771271  1.381000       3.952379  -37.04826      56.41488 
1 1 1 -12 -7  1  o 323.2397 20.40194 21.32943       3.999807  25.15413       4.143961  -27.08585      41.34064 
1 1 1 -12 -7  2  o 607.8347 16.75984 81.38006       6.253429  81.73994       6.374937  -1.203125      33.66793 
1 1 1 -12 -7  3  o 127.5632 39.86328 1.854546       3.465447  5.593983       3.536646  -39.21619      66.06501 
1 1 1 -12 -7  4  o 204.7703 32.14248 10.20429       3.813107  8.903120       4.099482  15.00305       64.89559 
1 1 1 -12 -7  5  o 398.0142 20.92004 35.48705       4.977427  34.82851       5.335062  4.533203       42.41755 
1 1 1 -12 -7  6  o 208.4302 31.25979 7.729944       3.778975  12.62686       4.071788  -52.36302      63.15436 
1 1 1 -12 -7  7  o 181.0919 34.81485 9.050969       3.801934  6.469398       3.736704  29.42090       66.75279 
1 1 1 -12 -7  8  o 157.9291 38.02348 6.181947       3.729381  5.945437       3.632778  2.702835       68.69252 
1 1 1 -12 -7  9  o 172.6682 42.82489 9.270408       3.975750  4.163618       5.527483  45.96716       74.86650 
1 1 1 -12 -7  10 f 152.9505 40.64203 6.356638       3.948373  5.557639       3.894897  8.305191       71.28661 
1 1 1 -12 -7  11 o 192.3092 35.72538 10.30126       4.059520  8.045644       4.151950  25.32060       70.17773 
1 1 1 -12 -7  12 f 172.8005 39.64717 10.37360       4.202034  5.402501       4.118159  50.99393       71.42992 
1 1 1 -12 -7  13 o 125.0827 42.36912 5.165680       3.835392  3.022793       3.996058  18.06745       69.29636 
1 1 1 -12 -7  14 o 135.2331 44.35987 5.497536       4.125728  4.766663       4.489211  5.907669       72.99210 
1 1 1 -12 -6  1  o 185.9047 31.60221 9.140451       3.560055  6.735813       3.469830  28.24025       62.26174 
1 1 1 -12 -6  2  o 600.8365 16.60246 79.08344       6.241945  80.17536       6.123740  -4.298218      33.34801 
1 1 1 -12 -6  3  o 618.4785 16.68908 86.53288       6.494721  82.50768       6.303554  14.65411       33.52446 
1 1 1 -12 -6  4  o 527.1180 17.17302 67.88124       5.806260  55.73232       5.428348  52.20798       34.54443 
1 1 1 -12 -6  5  o 419.1832 19.00208 37.91662       4.854988  39.95256       5.004877  -10.92480      38.29530 
1 1 1 -12 -6  6  o 239.7820 27.41843 14.22751       3.947296  11.71305       4.065370  25.31224       57.19993 
1 1 1 -12 -6  7  o 205.6050 43.14729 10.15406       3.766973  0.000000       0.000000  ?              ?        
1 1 1 -12 -6  8  o 197.5737 37.82479 8.366824       5.272711  9.878090       3.944804  -18.46870      74.27863 
1 1 1 -12 -6  9  o 231.4148 40.42073 13.04935       3.953720  0.000000       0.000000  ?              ?        
1 1 1 -12 -6  10 o 81.06807 35.78409 1.335232       3.592539  -1.790233      3.457138  21.36689       59.95493 
1 1 1 -12 -6  11 o 146.6121 41.04165 4.021235       3.818833  7.113853       3.943010  -31.46744      70.26790 
1 1 1 -12 -6  12 o 140.4717 41.13705 2.016447       3.686578  8.861300       3.954423  -67.34195      67.26311 
1 1 1 -12 -6  13 o 191.7248 36.43865 6.903453       3.992131  12.49982       4.386250  -56.54254      70.35799 
1 1 1 -12 -6  14 o 145.3759 42.60518 6.785971       4.005122  5.018918       4.178790  16.74742       72.06943 
1 1 1 -12 -6  15 o 111.4529 41.74828 3.969002       3.717242  2.297874       4.102156  11.07939       67.10375 
1 1 1 -12 -5  1  o 138.1301 37.72723 4.301644       3.337403  4.534608       3.309392  -2.520981      65.60322 
1 1 1 -12 -5  2  o 799.5544 17.07409 136.0816       8.304669  146.1480       8.642240  -28.44708      34.29073 
1 1 1 -12 -5  3  o 542.6715 16.72212 64.32021       5.576665  65.72227       5.669392  -5.802734      33.59695 
1 1 1 -12 -5  4  o 256.0829 25.26217 13.33211       3.851964  16.28945       4.079362  -26.45224      52.08755 
1 1 1 -12 -5  5  o 260.2114 26.20738 13.65615       4.176739  16.76046       4.168649  -28.22513      54.37534 
1 1 1 -12 -5  6  o 93.16456 40.09035 -1.511407      4.138192  1.430232       4.239860  -20.13692      67.24755 
1 1 1 -12 -5  7  o 112.7093 40.99444 1.874126       3.688435  3.120186       3.729360  -11.43304      67.62547 
1 1 1 -12 -5  8  o 643.8044 25.21870 0.000000       0.000000  93.23420       7.107831  ?              ?        
1 1 1 -12 -5  9  o 493.9006 21.36837 57.57958       5.639649  49.16105       8.046762  50.03625       48.23921 
1 1 1 -12 -5  10 o 167.1380 37.61585 7.756331       3.882039  6.109508       3.733377  18.07942       69.37363 
1 1 1 -12 -5  11 o 215.4501 31.00365 9.957541       3.926984  12.36596       4.129518  -24.46436      64.54615 
1 1 1 -12 -5  12 o 91.56844 38.59686 1.011734       3.644090  0.7208157      3.851915  -0.7025146E-01 63.34604 
1 1 1 -12 -5  13 o 198.2086 34.75278 9.276420       3.964869  10.72734       4.288663  -12.75430      70.22954 
1 1 1 -12 -5  14 o 111.6831 41.50564 4.940144       3.860392  1.265057       3.810781  29.28494       66.89584 
1 1 1 -12 -5  15 o 87.78415 37.73802 0.3556710      3.667631  1.298792       3.741724  -6.423309      61.48660 
1 1 1 -12 -4  1  o 396.3089 17.70897 36.15710       4.463166  33.37082       4.231218  15.83521       35.64389 
1 1 1 -12 -4  2  o 728.6799 16.56880 116.4227       7.514481  117.5395       7.464471  -3.557739      33.27729 
1 1 1 -12 -4  3  o 310.2849 20.92097 22.59392       4.020698  20.19234       3.986023  17.87308       42.46526 
1 1 1 -12 -4  4  o 970.9896 18.68073 206.8233       11.08380  210.0296       11.42783  -7.080750      37.56686 
1 1 1 -12 -4  5  o 1055.763 19.57512 246.6473       12.77013  246.5697       12.87041  0.3204346      39.37343 
1 1 1 -12 -4  6  o 124.0089 41.80083 3.498173       3.712966  3.105463       3.912627  2.038086       69.59985 
1 1 1 -12 -4  7  o 538.5200 17.85631 57.89000       5.681791  71.92590       6.275911  -58.57059      35.94034 
1 1 1 -12 -4  8  o 259.0685 36.79271 0.000000       0.000000  15.67041       4.063537  ?              ?        
1 1 1 -12 -4  9  o 338.2721 21.58704 28.24653       4.544880  23.29022       4.468349  33.86823       44.19730 
1 1 1 -12 -4  10 o 133.4253 41.51016 3.277733       3.805411  5.412262       3.795075  -20.81886      69.53141 
1 1 1 -12 -4  11 o 65.24265 31.35067 -2.189096      3.794820  -4.313543      3.612771  11.44982       54.92099 
1 1 1 -12 -4  12 o 240.8144 27.51011 14.66579       3.976161  12.62560       4.098365  21.65390       58.69537 
1 1 1 -12 -4  13 o 331.8818 22.47574 24.31377       4.460153  26.93144       4.753571  -16.16357      46.70399 
1 1 1 -12 -4  14 o 107.3739 41.08483 4.580165       3.766893  0.6722554      3.875933  29.06989       65.99157 
1 1 1 -12 -4  15 o 112.3085 42.78695 3.423146       4.046995  3.069983       4.222050  1.861908       68.74501 
1 1 1 -12 -4  16 o 81.70292 36.59746 -1.122166      3.732368  1.246387       3.924320  -14.25977      60.19112 
1 1 1 -12 -3  1  o 449.9917 16.86242 45.46278       4.760765  43.95235       4.638877  7.549774       33.89594 
1 1 1 -12 -3  2  o 190.6672 30.37576 10.24970       3.551223  6.487340       3.398326  43.75165       60.44822 
1 1 1 -12 -3  3  o 468.6466 17.01882 50.86327       5.026726  46.26040       4.856369  22.30148       34.21278 
1 1 1 -12 -3  4  o 445.5044 17.53270 42.88213       4.799789  44.90258       4.872629  -10.30487      35.28192 
1 1 1 -12 -3  5  o 573.6998 23.77154 73.27317       5.968997  0.000000       0.000000  ?              ?        
1 1 1 -12 -3  6  f 242.2766 27.54292 14.16434       4.028752  12.29561       4.104323  18.52414       57.18009 
1 1 1 -12 -3  7  o 292.5616 25.34960 21.12433       4.609349  17.37106       4.502808  29.79828       52.19409 
1 1 1 -12 -3  8  o 285.4666 24.84400 18.59341       4.418810  18.13813       4.295065  3.285492       51.08189 
1 1 1 -12 -3  9  o 108.3996 40.21082 0.6032732      3.509535  4.131465       3.690657  -32.60149      65.80927 
1 1 1 -12 -3  10 o 399.4301 19.70566 38.16689       4.825511  33.37927       4.910585  28.17682       40.19942 
1 1 1 -12 -3  11 o 245.9018 26.44342 13.00456       4.012717  15.09748       3.929224  -21.18640      56.01874 
1 1 1 -12 -3  12 o 157.1938 39.38186 8.242673       3.776233  4.296745       3.889791  41.87564       68.96398 
1 1 1 -12 -3  13 o 413.2878 19.78658 38.12664       5.052113  39.94022       5.063846  -10.19281      40.59228 
1 1 1 -12 -3  14 o 332.9193 23.18664 30.77617       4.765069  21.28031       4.751959  68.60974       49.92368 
1 1 1 -12 -3  15 o 72.67934 33.73986 -3.828975      3.557736  1.562598       3.744607  -28.78339      57.33021 
1 1 1 -12 -3  16 o 126.5222 41.92163 3.565960       3.746427  5.743431       3.926610  -18.91782      68.67154 
1 1 1 -12 -2  1  o 310.7900 20.24579 19.25838       3.865488  23.63701       3.898583  -32.58475      41.21489 
1 1 1 -12 -2  2  o 385.5130 18.07064 30.94223       4.271629  34.81357       4.348227  -22.98074      36.42505 
1 1 1 -12 -2  3  o 654.0057 16.44138 92.15630       6.577520  96.58823       6.755796  -15.31763      32.99919 
1 1 1 -12 -2  4  o 666.4384 16.44644 103.3195       6.915018  92.91518       6.688722  35.46509       33.06280 
1 1 1 -12 -2  5  o 253.6942 23.60271 14.66003       3.675053  14.18317       3.668538  4.400970       48.47224 
1 1 1 -12 -2  6  o 264.7291 24.63904 15.46528       4.016888  15.96157       3.982722  -4.520782      50.63718 
1 1 1 -12 -2  7  o 101.8207 39.98115 2.158784       3.657332  0.7551667      3.722248  10.61069       66.01409 
1 1 1 -12 -2  8  o 503.0317 17.78963 54.79194       5.520249  57.42934       5.564729  -11.96109      35.84026 
1 1 1 -12 -2  9  o 189.3051 33.26253 8.074726       3.744390  8.753943       3.782983  -7.684280      65.73470 
1 1 1 -12 -2  10 o 151.3286 38.84669 7.064869       3.581363  4.018813       3.754597  32.90456       67.85973 
1 1 1 -12 -2  11 o 157.7208 49.87823 0.000000       0.000000  6.497955       3.863961  ?              ?        
1 1 1 -12 -2  12 o 183.7597 35.07363 6.434981       3.651535  10.82109       4.090144  -46.55859      67.68828 
1 1 1 -12 -2  13 f 240.6043 38.36034 14.73577       3.912596  0.000000       0.000000  ?              ?        
1 1 1 -12 -2  14 o 91.71528 38.60044 1.894671       3.699264  0.3438280      3.772574  9.495178       62.80541 
1 1 1 -12 -2  15 o 116.1996 41.50445 2.070522       3.789905  5.070223       3.772201  -24.69547      67.05131 
1 1 1 -12 -2  16 o 150.4965 41.03590 5.803513       3.950319  7.140214       3.921078  -13.23116      71.11101 
1 1 1 -12 -1  1  o 277.7600 21.36070 17.27535       3.664406  17.05432       3.640126  1.796478       43.44823 
1 1 1 -12 -1  2  o 167.5535 33.47715 6.258989       3.359521  6.714928       3.355898  -5.546738      63.56831 
1 1 1 -12 -1  3  o 384.9531 18.37348 35.50037       4.432737  30.17260       4.319115  31.66293       37.08055 
1 1 1 -12 -1  4  o 418.0656 17.63108 40.37222       4.637665  37.01209       4.490088  18.23862       35.49249 
1 1 1 -12 -1  5  o 239.4268 25.20341 16.03976       3.821664  10.15894       3.565941  56.98036       52.68659 
1 1 1 -12 -1  6  o 615.8808 16.71207 85.31174       6.393137  82.35061       6.364638  10.97784       33.58838 
1 1 1 -12 -1  7  o 456.4835 18.33185 50.97475       5.328790  41.79304       5.043755  45.68192       36.96082 
1 1 1 -12 -1  8  o 209.9959 43.99279 0.000000       0.000000  10.54583       3.922254  ?              ?        
1 1 1 -12 -1  9  o 198.0923 32.36086 9.135931       3.749233  9.166459       3.936315  0.3407440      65.07891 
1 1 1 -12 -1  10 o 100.5259 39.67029 1.215183       3.567750  1.987245       3.734337  -7.824585      65.29404 
1 1 1 -12 -1  11 o 95.39516 38.87680 2.646523       3.607837  -0.2837201     3.639760  21.49327       63.74655 
1 1 1 -12 -1  12 o 402.4024 20.07347 39.14223       4.919293  34.40328       5.074081  28.54138       41.32102 
1 1 1 -12 -1  13 o 304.9482 24.01512 21.74036       4.252395  21.47946       4.811650  6.945251       50.79106 
1 1 1 -12 -1  14 o 70.46986 33.14066 2.527317       3.682636  -6.550825      3.740754  42.86269       57.35007 
1 1 1 -12 -1  15 o 117.0339 42.23572 8.996091       3.997091  -1.293012      3.859895  82.82600       64.78024 
1 1 1 -12 -1  16 o 175.9402 38.79274 7.061264       4.005049  10.33406       4.244895  -31.62312      72.42123 
1 1 1 -12 -1  17 o 106.5417 41.05529 6.280132       3.987452  0.3042644      3.695744  44.36694       65.41849 
1 1 1 -12 0   1  o 279.3870 20.60807 16.68604       3.566351  18.00246       3.526854  -11.04468      41.92388 
1 1 1 -12 0   2  o 274.6824 21.86412 15.87059       3.684993  17.71779       3.704546  -15.63382      44.59091 
1 1 1 -12 0   3  f 593.4673 16.32228 81.78895       6.110841  73.83217       5.901014  30.45013       32.77238 
1 1 1 -12 0   4  o 257.8009 23.42723 17.23432       3.782176  12.65667       3.633481  41.25462       48.44238 
1 1 1 -12 0   5  o 244.3733 25.06770 14.31154       3.684500  12.47641       3.811106  18.20541       52.02817 
1 1 1 -12 0   6  o 358.7206 19.26676 28.50504       4.242551  28.63959       4.301138  -0.7412720     38.93880 
1 1 1 -12 0   7  o 203.6743 32.32612 10.04804       3.976179  9.037701       3.920246  11.03734       65.01956 
1 1 1 -12 0   8  o 264.4754 28.28676 19.50520       4.566865  12.19590       4.570601  65.79814       60.21828 
1 1 1 -12 0   9  o 199.5778 32.70380 6.112894       3.802244  12.84855       4.024622  -73.09679      64.20216 
1 1 1 -12 0   10 o 437.1631 19.16103 44.82145       5.020461  40.37045       5.363508  24.76950       39.12289 
1 1 1 -12 0   11 f 267.2250 24.88293 16.08462       4.025507  16.71803       4.131187  -4.963379      51.85328 
1 1 1 -12 0   12 o 237.9824 27.97486 12.10490       3.940789  14.84603       4.171052  -25.61578      59.40221 
1 1 1 -12 0   13 o 267.2623 25.37940 17.51117       4.106994  15.94028       4.209251  15.19954       53.83635 
1 1 1 -12 0   14 o 88.17031 37.68207 0.6029624      3.614335  0.9514844      3.693511  -2.947243      61.62693 
1 1 1 -12 0   15 o 280.1906 25.32505 19.71078       4.319657  18.04823       4.389633  15.53510       54.55188 
1 1 1 -12 0   16 o 114.3371 41.73233 2.752573       3.741731  4.705689       3.964401  -15.63602      67.18013 
1 1 1 -12 0   17 o 185.4931 36.68806 11.66402       4.078691  7.368756       4.065189  45.47017       70.66007 
1 1 1 -12 1   1  o 465.5899 16.39078 48.71797       4.820354  47.04773       4.637960  7.988495       32.95037 
1 1 1 -12 1   2  o 444.6771 16.53369 46.76093       4.716721  40.91747       4.404770  29.70099       33.23319 
1 1 1 -12 1   3  o 744.5228 16.50568 124.7450       7.735985  119.7597       7.514890  15.08429       33.15377 
1 1 1 -12 1   4  o 467.1711 16.83437 51.58989       4.958398  45.04842       4.787220  31.86847       33.86734 
1 1 1 -12 1   5  o 703.6580 16.63070 107.5729       7.211895  111.1026       7.307436  -11.35846      33.43975 
1 1 1 -12 1   6  o 199.0169 29.39866 8.302297       3.624653  9.741074       3.424442  -17.23578      60.02417 
1 1 1 -12 1   7  o 363.9817 20.46649 28.95567       4.597456  29.93986       4.607400  -6.227814      41.40749 
1 1 1 -12 1   8  o 582.1303 18.10127 75.51638       6.467860  74.62473       6.591000  3.743225       36.44786 
1 1 1 -12 1   9  o 258.1122 26.05554 18.01070       4.150360  12.32671       4.080066  52.05801       54.98772 
1 1 1 -12 1   10 o 361.7192 23.80677 29.97110       4.407004  28.60318       7.182073  22.80255       57.08602 
1 1 1 -12 1   11 o 364.1252 20.13060 31.12995       4.577776  28.72996       4.482318  14.89899       41.05164 
1 1 1 -12 1   12 o 161.9350 38.69028 9.943988       3.845596  3.467085       3.820959  68.51865       66.90326 
1 1 1 -12 1   13 o 194.8739 33.10308 8.150953       3.825766  10.67170       3.892366  -27.96494      66.77834 
1 1 1 -12 1   14 o 58.38993 28.60542 -2.993747      3.481163  -5.203886      3.518083  7.587303       50.39001 
1 1 1 -12 1   15 o 164.8862 38.70535 7.918355       3.918515  7.017709       3.863277  9.136108       70.93729 
1 1 1 -12 1   16 o 94.52202 39.01570 2.051228       3.734793  1.502167       3.684427  3.921661       62.73358 
1 1 1 -12 1   17 o 124.8390 41.63562 6.553823       3.825228  2.919858       3.735976  30.84444       67.39528 
1 1 1 -12 2   1  o 405.2592 17.22177 38.84173       4.464319  34.04770       4.187960  26.73471       34.65992 
1 1 1 -12 2   2  o 456.1738 16.85803 47.25877       4.870375  44.72679       4.660890  12.46002       33.89338 
1 1 1 -12 2   3  o 245.4248 24.20166 12.54839       3.674138  14.37848       3.600219  -17.80119      49.98952 
1 1 1 -12 2   4  o 576.3958 16.55183 70.46947       5.830454  76.39169       5.997028  -23.31671      33.25280 
1 1 1 -12 2   5  o 524.6110 16.60924 64.92397       5.536458  57.12698       5.269967  33.64175       33.39835 
1 1 1 -12 2   6  o 632.9395 16.54636 87.79800       6.528826  89.34661       6.453727  -5.730164      33.26647 
1 1 1 -12 2   7  o 383.1253 19.83393 29.78125       4.735430  35.33390       4.660848  -33.66434      40.31282 
1 1 1 -12 2   8  o 452.9814 19.22270 44.76744       5.372950  46.35906       5.405559  -8.022491      38.78548 
1 1 1 -12 2   9  f 311.0726 26.30189 22.20852       6.650265  21.80200       4.206807  -8.213501      61.23058 
1 1 1 -12 2   10 o 300.2834 31.51625 20.92290       4.089350  0.000000       0.000000  ?              ?        
1 1 1 -12 2   11 o 67.60854 31.79955 -0.2513119     3.398125  -4.251758      3.440659  19.75683       55.16679 
1 1 1 -12 2   12 o 98.57286 39.21217 0.1661309      3.505473  3.352545       3.683506  -26.17751      64.03612 
1 1 1 -12 2   13 o 155.5766 38.83468 4.523725       3.637671  8.340159       3.842519  -40.39743      68.55582 
1 1 1 -12 2   14 o 90.92398 37.96030 1.050428       3.482146  1.329097       3.661014  -3.423141      61.84729 
1 1 1 -12 2   15 o 185.9290 33.17895 7.292966       3.577248  10.84440       3.806014  -38.15720      66.31422 
1 1 1 -12 2   16 o 112.8268 40.50262 3.194453       3.581008  3.874727       3.630477  -5.728867      65.45377 
1 1 1 -12 2   17 o 98.53008 43.60310 0.000000       0.000000  1.677383       3.721377  ?              ?        
1 1 1 -12 3   1  o 381.5861 17.43182 30.90599       4.174647  33.39660       4.058438  -15.19031      35.18846 
1 1 1 -12 3   2  o 396.0332 17.62914 33.57655       4.337170  35.73990       4.303138  -12.60751      35.52273 
1 1 1 -12 3   3  f 272.2949 21.95216 17.42850       3.833214  15.74544       3.537631  13.66220       44.75740 
1 1 1 -12 3   4  o 116.6409 39.24291 0.8682652      3.367691  4.950708       3.346479  -40.66987      64.01116 
1 1 1 -12 3   5  o 209.3815 27.99002 9.129249       3.560697  10.80258       3.528454  -18.81926      57.70595 
1 1 1 -12 3   6  o 120.6953 39.73906 2.523851       3.440962  3.950203       3.451732  -14.45982      66.20392 
1 1 1 -12 3   7  o 111.2541 40.37059 0.3476374      3.700982  4.248278       3.495500  -32.89436      65.69283 
1 1 1 -12 3   8  o 442.6964 19.00693 47.45322       5.425576  40.16469       5.013598  36.93616       38.35440 
1 1 1 -12 3   9  o 232.9310 38.87850 0.000000       0.000000  12.87451       3.832347  ?              ?        
1 1 1 -12 3   10 o 175.9006 41.70888 10.19748       3.961665  3.079216       5.280309  64.90425       72.19713 
1 1 1 -12 3   11 o 89.07796 37.44716 2.633610       3.684416  -1.006972      3.356659  29.94967       62.15652 
1 1 1 -12 3   12 o 114.3896 47.05821 2.221599       3.798794  0.000000       0.000000  ?              ?        
1 1 1 -12 3   13 f 148.8233 39.48870 7.215562       3.767457  4.602613       3.646139  27.26360       68.85191 
1 1 1 -12 3   14 o 83.56124 36.81901 -0.3859780     3.703312  0.7278320      3.724748  -6.691254      60.58319 
1 1 1 -12 3   15 o 120.7962 41.01320 5.285058       3.716954  2.993999       3.618942  20.11784       66.83210 
1 1 1 -12 3   16 o 86.73463 37.54532 5.383943       3.929849  -2.700036      3.533887  52.74017       61.67936 
1 1 1 -12 3   17 o 120.8349 41.43957 4.861747       3.841897  4.150296       3.655644  5.643425       66.99390 
1 1 1 -12 3   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -12 4   1  o 421.6087 17.22109 38.23738       4.577923  40.22862       4.415281  -11.07684      34.71689 
1 1 1 -12 4   2  o 319.0486 20.17544 23.05130       4.146525  22.20063       3.818731  5.516388       40.92596 
1 1 1 -12 4   3  o 158.5856 34.77039 4.477238       3.388226  7.157721       3.267140  -31.97072      63.63875 
1 1 1 -12 4   4  o 306.0757 21.09370 20.13622       4.076854  21.52091       3.890606  -10.97491      42.99560 
1 1 1 -12 4   5  o 373.9507 18.78784 31.25146       4.480000  30.86515       4.220122  1.820251       38.00409 
1 1 1 -12 4   6  f 294.8071 21.88113 18.98215       4.099813  19.82566       3.857236  -7.407928      44.77931 
1 1 1 -12 4   7  o 104.9212 40.41059 2.827957       3.838515  0.8513695      3.598192  19.00125       66.71481 
1 1 1 -12 4   8  o 427.7265 20.14686 42.10955       5.435182  39.44243       5.231635  13.88715       40.72851 
1 1 1 -12 4   9  o 142.5947 48.04199 0.000000       0.000000  4.739334       3.557584  ?              ?        
1 1 1 -12 4   10 o 178.5626 34.19806 9.180190       3.685718  6.134222       3.615499  35.10887       65.63727 
1 1 1 -12 4   11 f 399.7556 19.22576 32.92680       4.733173  39.15142       4.774222  -36.01486      39.27460 
1 1 1 -12 4   12 o 126.9879 40.91459 2.925917       3.764951  5.153813       3.569829  -20.47207      67.71947 
1 1 1 -12 4   13 o 106.5599 40.72696 3.883133       3.911878  1.467158       3.608777  20.60435       66.15886 
1 1 1 -12 4   14 o 197.4543 34.11880 14.83428       4.066264  5.306730       3.990699  99.75291       64.90254 
1 1 1 -12 4   15 o 72.80853 33.79065 -1.680147      3.570789  -0.4941452     3.744999  -7.389847      56.42876 
1 1 1 -12 4   16 o 137.5818 42.18325 5.262533       3.951504  6.122519       3.931365  -7.752251      70.28483 
1 1 1 -12 4   17 f 206.4729 33.49960 14.62475       4.292979  9.027168       4.008975  55.02173       69.56325 
1 1 1 -12 4   18 o 82.38345 36.73008 2.983389       3.880285  -1.270033      3.733925  22.41509       59.16233 
1 1 1 -12 5   1  o 329.6329 19.77109 24.06017       4.173427  24.13547       3.889869  -1.070129      40.09269 
1 1 1 -12 5   2  o 674.5855 16.78720 100.4844       7.186743  100.3092       6.873257  0.1992798      33.78210 
1 1 1 -12 5   3  o 346.7428 19.63923 31.26650       4.494684  23.11671       3.968257  52.86050       39.72533 
1 1 1 -12 5   4  o 347.0870 20.02856 27.37414       4.512566  26.29815       4.104293  6.228088       40.65709 
1 1 1 -12 5   5  o 417.3741 18.14203 42.10649       4.830967  35.57869       4.553084  35.36807       36.60710 
1 1 1 -12 5   6  f 99.16609 38.99101 5.396664       3.675314  -1.930274      3.370374  65.18872       62.82902 
1 1 1 -12 5   7  o 271.5756 24.31643 14.03876       4.186189  18.81019       3.932016  -42.59550      51.41125 
1 1 1 -12 5   8  o 489.5776 19.07945 51.43436       5.910321  55.01266       5.664022  -17.44040      38.63121 
1 1 1 -12 5   9  o 342.4700 24.33628 22.74130       6.637877  28.12966       4.339078  -49.28540      59.31402 
1 1 1 -12 5   10 o 91.28079 37.87179 2.686298       3.711502  -0.7302898     3.354954  29.48699       62.83254 
1 1 1 -12 5   11 o 225.6863 28.39444 14.10812       4.096841  10.22576       3.707073  37.76509       59.68259 
1 1 1 -12 5   12 o 367.1078 20.29586 27.88397       4.716250  33.39102       4.499173  -36.78812      42.17192 
1 1 1 -12 5   13 o 85.08453 37.13789 0.8080423      3.892842  -0.4303703E-01 3.531965  8.551491       61.19387 
1 1 1 -12 5   14 o 88.73771 37.95332 0.5060351      3.779530  1.293244       3.646344  -3.797943      61.74842 
1 1 1 -12 5   15 o 197.4134 33.28185 9.907677       4.039846  10.52851       3.830299  -10.03973      68.79414 
1 1 1 -12 5   16 o 129.7887 41.84643 4.629246       3.865124  5.604928       3.799382  -8.605431      68.65916 
1 1 1 -12 5   17 o 175.2542 38.06739 6.843442       4.028883  11.20922       4.010705  -44.94576      70.64194 
1 1 1 -12 5   18 o 95.94170 39.73601 6.215491       3.925423  -0.8796437     3.808000  43.07324       62.57510 
1 1 1 -12 6   1  o 456.3885 17.49125 50.37177       5.161689  42.38551       4.749468  39.45502       35.19355 
1 1 1 -12 6   2  o 523.5912 17.19880 59.92337       5.682238  61.23083       5.480237  -6.032471      34.62445 
1 1 1 -12 6   3  o 587.7289 17.04771 73.40958       6.242910  79.30389       6.175036  -23.11768      34.32131 
1 1 1 -12 6   4  o 305.9897 21.87597 18.16423       4.202441  23.48748       4.051542  -41.18161      45.32832 
1 1 1 -12 6   5  o 83.93858 36.31018 0.8117905      3.613659  -0.9576682     3.343839  15.96144       61.11470 
1 1 1 -12 6   6  o 525.3245 18.28670 62.74239       6.244348  59.91313       5.693692  11.27136       36.93231 
1 1 1 -12 6   7  o 203.5048 31.74320 12.03881       4.155514  7.655561       3.647034  46.68361       63.72300 
1 1 1 -12 6   8  o 140.4502 41.29950 3.902305       4.013278  5.388792       3.681939  -13.50774      70.28018 
1 1 1 -12 6   9  f 236.1165 28.31284 12.29445       4.319491  13.30192       3.849612  -12.94911      59.86494 
1 1 1 -12 6   10 o 267.8542 24.69527 14.58325       4.133039  18.17472       3.985179  -33.02486      52.18334 
1 1 1 -12 6   11 o 105.5001 40.36456 1.675035       3.796375  2.748160       3.587073  -6.924606      65.87927 
1 1 1 -12 6   12 o 204.7925 31.47296 10.15601       4.030477  10.36620       3.728133  -5.329605      65.48405 
1 1 1 -12 6   13 o 215.0032 30.80687 10.41791       4.130896  12.39238       3.865300  -24.98320      65.49454 
1 1 1 -12 6   14 o 140.8894 40.09526 7.419175       3.898344  4.076135       3.479829  32.31014       68.50066 
1 1 1 -12 6   15 o 97.60363 39.44317 2.984310       3.845140  1.571140       3.558995  10.97340       63.22008 
1 1 1 -12 6   16 o 199.1609 33.95388 7.358576       4.234715  13.62081       3.877769  -71.92360      67.47006 
1 1 1 -12 6   17 o 131.2936 41.75263 6.718913       4.115059  4.847254       3.587833  12.97468       68.54137 
1 1 1 -12 6   18 o 139.1313 41.73310 6.638728       4.064793  6.403409       3.730672  -0.6945267     69.23461 
1 1 1 -12 7   1  o 678.0922 17.13744 101.5900       7.285882  101.6605       7.122550  -0.4781494     34.44709 
1 1 1 -12 7   2  o 665.8986 17.22107 92.03093       6.959728  104.6644       7.265207  -42.97028      34.62875 
1 1 1 -12 7   3  o 192.8488 31.52169 8.628827       3.789494  8.558290       3.508215  0.3097534E-01  63.23626 
1 1 1 -12 7   4  f 262.5190 24.10764 16.81641       4.004563  14.36060       3.770103  21.12613       49.63585 
1 1 1 -12 7   5  o 139.4935 41.42509 5.008805       4.157124  4.267601       3.593504  10.39725       70.85720 
1 1 1 -12 7   6  o 246.5802 28.15254 16.35088       4.477157  11.78007       4.018191  41.77487       58.44825 
1 1 1 -12 7   7  o 293.5788 27.07915 19.88377       5.149914  19.23423       4.641482  3.082275       56.21628 
1 1 1 -12 7   8  o 67.66145 32.07278 -0.8899465     3.877055  -4.285033      3.383506  23.84271       56.90004 
1 1 1 -12 7   9  o 253.8423 26.50431 15.46085       4.360978  14.27298       3.901387  8.330521       55.56384 
1 1 1 -12 7   10 o 109.6568 40.60596 2.274366       3.835580  2.774521       3.514969  -1.717705      66.56915 
1 1 1 -12 7   11 o 93.22068 38.77111 -1.076007      3.859764  2.864702       3.561561  -24.22757      63.16376 
1 1 1 -12 7   12 o 345.5738 22.04016 25.09735       4.745166  30.21152       4.656198  -36.00485      46.18038 
1 1 1 -12 7   13 o 138.4951 42.12974 6.555532       4.101758  4.358003       3.798715  20.10654       70.77567 
1 1 1 -12 7   14 f 137.0858 42.43430 5.615907       4.022982  5.366872       3.932499  2.049042       70.75033 
1 1 1 -12 7   15 o 103.4304 39.71139 4.660739       3.921276  1.663928       3.310441  24.12191       64.00484 
1 1 1 -12 7   16 o 72.86945 33.68896 -0.7774610     3.772125  -0.4839884     3.416019  1.657875       55.36305 
1 1 1 -12 7   17 f 77.77218 35.63985 2.823107       4.074393  -2.084410      3.720577  24.19147       58.08166 
1 1 1 -12 7   18 o 197.3608 35.53990 13.71933       4.441453  9.836909       3.978718  30.02861       73.08375 
1 1 1 -12 8   1  o 804.1955 18.05287 141.4966       9.062695  144.7597       8.950045  -9.506287      36.35038 
1 1 1 -12 8   2  o 380.3344 19.72978 30.74529       4.756576  33.49356       4.529583  -17.27063      40.09467 
1 1 1 -12 8   3  o 534.9511 17.75154 60.23218       5.920177  66.62662       5.845600  -27.64270      35.83537 
1 1 1 -12 8   4  o 112.0543 40.87430 2.146671       3.741135  2.770775       3.642467  -4.576012      67.42394 
1 1 1 -12 8   5  o 377.4292 20.95750 33.59492       5.032809  30.13044       4.754007  20.48572       42.46308 
1 1 1 -12 8   6  o 124.0719 42.38120 3.126020       4.203505  3.561574       3.681329  0.8346558E-01  70.46122 
1 1 1 -12 8   7  o 190.6988 37.02977 8.382773       4.477117  8.865908       4.006833  -6.238953      71.51553 
1 1 1 -12 8   8  o 167.0785 38.91257 11.42064       4.214391  3.171626       3.742631  87.15462       66.95105 
1 1 1 -12 8   9  o 454.4009 19.20393 43.44925       5.476192  49.13559       5.328611  -29.64224      39.15740 
1 1 1 -12 8   10 o 183.5931 35.52905 3.251867       3.946010  13.13801       3.855554  -104.2823      63.23097 
1 1 1 -12 8   11 o 271.1335 38.69649 18.60156       4.471683  0.000000       0.000000  ?              ?        
1 1 1 -12 8   12 o 185.1592 36.02296 8.939381       4.115643  8.904322       3.872564  -1.905685      70.62551 
1 1 1 -12 8   13 o 203.9185 33.30006 13.52356       4.357258  8.458000       3.828033  48.62773       68.32121 
1 1 1 -12 8   14 o 122.3200 42.63925 2.785170       4.023063  5.974085       3.922516  -25.31697      68.47765 
1 1 1 -12 8   15 o 138.8609 42.69337 6.790151       4.225595  5.540590       3.865992  8.899551       70.87889 
1 1 1 -12 8   16 o 160.8288 40.46716 8.705898       4.246202  7.322436       3.849489  8.918930       72.25979 
1 1 1 -12 8   17 o 153.7678 40.32330 8.173945       4.095572  7.235581       3.717601  4.175186       70.53735 
1 1 1 -12 8   18 o 64.09553 30.77773 0.4291296      3.913463  -3.029287      3.275340  17.46844       51.60764 
1 1 1 -12 9   1  o 88.13824 37.66035 -1.405645      3.724704  1.532584       3.575230  -18.34042      62.75717 
1 1 1 -12 9   2  o 194.8467 33.84990 10.66972       4.074846  7.266932       3.823117  37.26920       66.53338 
1 1 1 -12 9   3  o 66.62642 31.93112 -2.837144      4.024179  -4.181996      3.578991  12.52724       56.69165 
1 1 1 -12 9   4  o 334.8989 33.48189 25.69852       4.852546  0.000000       0.000000  ?              ?        
1 1 1 -12 9   5  o 224.2883 30.44848 12.25808       4.313948  10.96588       3.962458  11.95030       62.90810 
1 1 1 -12 9   6  o 524.3401 19.59481 58.37585       6.465868  63.98285       6.263315  -25.22406      39.71866 
1 1 1 -12 9   7  o 466.4477 19.61159 54.19387       5.947526  44.06825       5.413826  48.23886       39.71897 
1 1 1 -12 9   8  o 410.4425 20.28831 39.73517       5.344822  36.30180       4.974167  17.84653       41.27549 
1 1 1 -12 9   9  o 219.4474 30.48220 9.620799       4.238314  12.90811       3.862934  -37.94884      64.23856 
1 1 1 -12 9   10 o 96.89889 39.48850 4.586768       3.937672  -1.154477      3.566775  45.32732       64.60613 
1 1 1 -12 9   11 o 252.0330 32.39364 17.01578       4.396149  13.30348       5.777007  51.53386       72.73824 
1 1 1 -12 9   12 o 96.92235 39.44893 2.559323       3.923098  1.298674       3.554957  11.02644       63.83844 
1 1 1 -12 9   13 o 97.82217 40.02792 -0.4026096     4.006706  4.030091       3.729371  -27.35114      63.93157 
1 1 1 -12 9   14 o 146.1506 41.97462 6.348207       4.241124  6.578866       3.805524  -4.540741      71.36059 
1 1 1 -12 9   15 o 105.6566 40.60224 6.354062       3.976273  1.030677       3.544651  38.23505       64.49007 
1 1 1 -12 9   16 o 85.77908 37.83849 2.287138       4.089682  0.3310257      3.792738  11.20779       60.22947 
1 1 1 -12 9   17 o 78.48401 35.61431 0.1635525      3.874287  1.086564       3.654634  -3.056686      56.54503 
1 1 1 -12 9   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -12 10  1  o 283.3071 26.78158 16.60871       4.799379  19.51962       4.515149  -25.55829      56.06126 
1 1 1 -12 10  2  o 166.0428 41.79771 9.409400       4.427985  4.125747       4.185272  54.23650       72.69292 
1 1 1 -12 10  3  o 260.2735 28.22124 19.04433       4.727736  12.42626       4.273724  58.04248       58.92583 
1 1 1 -12 10  4  o 379.9724 21.77153 32.89813       5.218698  31.71458       5.008146  6.595276       44.20488 
1 1 1 -12 10  5  o 141.5019 45.85150 -0.4841692     4.600269  9.898556       4.593418  -87.99579      71.32265 
1 1 1 -12 10  6  o 201.8848 35.91087 7.096293       4.553449  11.87002       4.140715  -51.55920      70.18677 
1 1 1 -12 10  7  o 345.6805 22.80352 28.78445       5.098680  25.64293       4.656387  19.08615       46.74360 
1 1 1 -12 10  8  o 146.5703 41.37741 5.265323       4.130509  5.550180       3.748830  -2.238800      71.38917 
1 1 1 -12 10  9  o 220.3621 31.67179 11.15626       4.390748  12.15972       4.041269  -13.76465      66.53042 
1 1 1 -12 10  10 o 351.2961 22.49013 28.82268       5.062252  28.26761       4.707499  0.8500671      46.71462 
1 1 1 -12 10  11 o 204.5181 42.36141 12.45200       4.287210  8.753703       7.136600  51.42810       80.32388 
1 1 1 -12 10  12 o 90.58143 38.41641 2.407372       3.959659  0.2781208      3.564447  16.13112       62.44210 
1 1 1 -12 10  13 o 78.17612 35.51747 -0.1909980     4.041061  -0.3796450     3.519118  5.447433       58.49265 
1 1 1 -12 10  14 o 179.8238 36.79216 8.824877       4.262504  9.460214       3.723284  -14.45328      71.30829 
1 1 1 -12 10  15 o 75.05311 34.59729 -1.143415      3.893371  0.6348302      3.597902  -5.838997      55.97425 
1 1 1 -12 10  16 o 84.04431 37.14903 1.913584       4.045965  0.8419600      3.609859  7.137672       58.78657 
1 1 1 -12 10  17 o 77.60307 35.41492 1.302119       4.004282  0.1614727      3.597299  6.804237       56.16330 
1 1 1 -12 11  1  o 286.7326 26.32174 15.81106       4.637038  21.33393       4.622111  -45.73099      55.18867 
1 1 1 -12 11  2  o 203.8310 36.74137 11.38799       4.620258  8.371716       4.342158  30.95572       71.86877 
1 1 1 -12 11  3  o 357.7139 24.38711 30.53203       5.513440  27.26019       5.254073  20.38586       49.82711 
1 1 1 -12 11  4  o 71.01054 33.73805 -4.331357      4.299167  -2.366179      3.813473  -2.009171      58.87902 
1 1 1 -12 11  5  o 70.19933 33.34250 -4.187087      4.161641  -2.197988      3.741034  -3.110161      58.06383 
1 1 1 -12 11  6  o 311.0194 25.17403 19.13367       4.907135  24.87118       4.728613  -44.98801      53.18288 
1 1 1 -12 11  7  o 229.0978 31.68697 11.80785       4.585413  13.01577       4.204744  -15.33855      66.65646 
1 1 1 -12 11  8  f 176.7186 39.06359 9.178749       4.429415  6.923158       3.948366  21.99786       72.86047 
1 1 1 -12 11  9  o 216.9533 32.20093 12.97659       4.403704  10.31249       4.026276  24.73625       67.30065 
1 1 1 -12 11  10 o 94.68460 40.43871 1.124834       4.505419  0.9905493      3.953007  5.070671       65.99331 
1 1 1 -12 11  11 o 81.58413 38.96021 -2.722647      3.905169  0.000000       0.000000  ?              ?        
1 1 1 -12 11  12 o 84.95333 37.49440 -0.6970112     4.096362  1.446883       3.671524  -8.263542      60.86833 
1 1 1 -12 11  13 o 114.3533 42.29029 2.425495       4.254911  5.119965       3.740331  -18.75991      66.89725 
1 1 1 -12 11  14 o 99.26368 40.39476 1.723517       4.017632  3.751155       3.802117  -11.82940      63.39130 
1 1 1 -12 11  15 o 65.60975 31.47290 -4.158318      3.923136  0.7927029E-01  3.499503  -11.82675      52.17589 
1 1 1 -12 11  16 o 73.38842 34.07135 1.301008       3.855328  -1.061073      3.599038  11.14413       54.67126 
1 1 1 -12 11  17 o 78.79899 36.10841 2.201119       4.338141  0.7291494E-01  3.710196  10.58308       56.81332 
1 1 1 -12 12  1  o 541.3075 20.03930 65.46842       6.876808  65.34912       6.568335  -0.3893433     40.56306 
1 1 1 -12 12  2  o 159.6170 42.61976 9.536826       4.519417  3.528738       4.108371  60.39157       72.71415 
1 1 1 -12 12  3  o 188.1683 38.29799 6.262018       4.388072  10.72985       4.251402  -47.32278      71.68494 
1 1 1 -12 12  4  o 222.1853 34.80071 9.362287       4.810562  13.83393       4.484769  -47.20818      70.98827 
1 1 1 -12 12  5  f 203.6296 37.12841 11.18091       4.730170  9.177690       4.330546  18.92862       73.30056 
1 1 1 -12 12  6  o 71.56036 33.88960 -1.011059      4.314355  -4.143732      3.757806  21.09503       59.33204 
1 1 1 -12 12  7  o 108.2296 42.06635 3.086248       4.377833  1.789512       3.786773  13.88790       68.89703 
1 1 1 -12 12  8  o 74.10188 34.70059 -1.623824      4.364526  -2.291574      3.705979  10.52896       59.37187 
1 1 1 -12 12  9  o 96.38764 40.35199 0.9122120      4.345227  1.717585       3.805495  -0.8864288     65.61585 
1 1 1 -12 12  10 o 87.25404 39.49628 1.267955       6.829336  -0.5362554     3.688390  27.48913       68.26379 
1 1 1 -12 12  11 o 127.5198 46.71613 7.025347       4.237949  1.285228       5.765021  33.80861       72.74554 
1 1 1 -12 12  12 o 109.5697 42.58150 3.693924       4.527213  3.183901       3.853179  4.885162       67.80650 
1 1 1 -12 12  13 o 91.44972 39.16580 3.026008       4.489201  0.9824507      3.585053  14.85924       62.76947 
1 1 1 -12 12  14 o 63.37376 30.89175 -7.104046      4.238081  0.4257811      3.687601  -18.78013      52.02045 
1 1 1 -12 12  15 o 198.3182 37.68678 8.287325       4.639470  15.35050       4.312106  -73.99408      71.74524 
1 1 1 -12 12  16 o 75.07022 34.83224 -1.847464      3.979749  2.470073       3.787664  -15.96060      55.14554 
1 1 1 -12 12  17 o 80.76550 36.21162 0.9723116      3.844615  2.364258       3.669716  -5.658363      55.80369 
1 1 1 -12 13  1  o 83.31950 37.89525 1.160058       4.496953  -3.461330      4.103733  29.09074       64.85455 
1 1 1 -12 13  2  o 94.88519 40.80215 -2.337412      4.289734  3.080282       4.376262  -34.09632      67.66908 
1 1 1 -12 13  3  o 88.91114 39.12594 5.132276       4.294951  -5.100035      4.076465  64.60014       65.36404 
1 1 1 -12 13  4  o 127.2624 43.15660 6.654583       4.398923  1.892664       3.789253  44.95302       71.09999 
1 1 1 -12 13  5  o 230.1559 32.43458 18.47445       4.918735  8.615042       4.176636  91.94064       66.71436 
1 1 1 -12 13  6  o 426.2476 22.23556 42.89126       6.173900  40.71696       5.587805  7.867340       45.90226 
1 1 1 -12 13  7  o 281.2343 28.42195 18.53088       5.155797  19.22960       4.662159  -11.66745      61.55862 
1 1 1 -12 13  8  o 94.91627 40.47175 -1.026746      4.421557  2.828796       4.003374  -19.30179      65.56953 
1 1 1 -12 13  9  o 105.7223 41.86540 6.294409       4.383417  -0.8919978E-01 3.825292  46.65209       67.58115 
1 1 1 -12 13  10 o 83.46038 39.24069 0.000000       0.000000  -1.409609      3.675548  ?              ?        
1 1 1 -12 13  11 o 108.2916 44.74875 1.855921       4.365960  5.199682       5.653571  -20.81926      71.62325 
1 1 1 -12 13  12 o 100.4609 41.28805 3.358164       4.501615  2.296388       3.838067  7.958969       65.27582 
1 1 1 -12 13  13 o 67.84129 32.67860 -1.818455      4.379447  -2.286723      3.830899  5.615753       54.18539 
1 1 1 -12 13  14 o 83.34218 37.23689 -0.5488912     4.127393  2.844969       3.763131  -14.06255      58.43990 
1 1 1 -12 13  15 o 79.79507 36.46724 3.933161       4.423089  -1.072903      3.728112  22.79990       58.17066 
1 1 1 -12 13  16 o 79.52613 36.20800 -1.483208      4.077661  3.806433       3.791102  -20.60114      56.32402 
1 1 1 -12 13  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -12 14  1  o 117.8907 43.56341 3.169089       4.574049  3.004559       3.927712  5.494438       71.48365 
1 1 1 -12 14  2  o 250.1250 31.68958 14.48597       4.955014  15.32683       4.670938  -10.64331      67.46847 
1 1 1 -12 14  3  o 82.44290 37.49633 1.741251       4.316444  -3.590135      4.086983  30.22207       63.54794 
1 1 1 -12 14  4  o 208.8669 37.94142 12.12691       5.060983  10.13092       4.464595  15.58368       75.84605 
1 1 1 -12 14  5  o 82.69404 37.48837 -0.3700074     4.446130  -1.104574      3.911929  9.181595       62.81448 
1 1 1 -12 14  6  o 79.87289 36.48065 -0.9696545     4.244185  -0.9051592     3.838920  3.842606       61.01685 
1 1 1 -12 14  7  o 176.0638 40.43454 8.176346       4.525633  8.620256       4.145126  -7.175674      74.72630 
1 1 1 -12 14  8  o 98.23152 40.93218 -0.4888442     4.307916  3.938517       3.985079  -24.77358      65.35682 
1 1 1 -12 14  9  o 106.8448 42.55380 3.147161       4.504604  2.907028       4.007453  3.124107       67.72507 
1 1 1 -12 14  10 o 98.35181 42.88345 1.811745       6.869905  1.771437       4.035910  11.11082       69.66926 
1 1 1 -12 14  11 o 105.7318 43.18076 0.5475736      4.725567  5.536110       4.272527  -26.71696      67.20770 
1 1 1 -12 14  12 o 72.44125 34.42498 -0.2594596     4.593206  -2.021626      3.900863  10.75014       56.62136 
1 1 1 -12 14  13 o 87.34673 38.43708 3.896430       4.378243  0.3714932      3.762224  18.24756       60.52040 
1 1 1 -12 14  14 o 80.01534 36.76646 -1.920281      4.324671  3.185362       4.036176  -18.81907      57.93747 
1 1 1 -12 14  15 o 71.44402 33.93845 -1.805458      4.373109  1.115620       3.837761  -7.062042      53.49849 
1 1 1 -12 14  16 o 98.93646 44.63952 5.785660       6.161664  5.299401       5.507503  0.1052475      64.15257 
1 1 1 -12 15  1  o 112.7741 43.23070 2.459636       4.511975  3.067237       4.003378  -1.282890      70.25720 
1 1 1 -12 15  2  o 133.8926 44.94236 5.718443       4.642926  3.956975       4.197015  15.60657       74.14646 
1 1 1 -12 15  3  o 112.3133 43.89645 0.6775659      4.783610  4.365423       4.144734  -21.00950      70.44566 
1 1 1 -12 15  4  o 94.85663 41.06006 0.5141045      4.777875  1.003683       4.171953  2.065948       67.10965 
1 1 1 -12 15  5  f 236.0427 34.84312 14.35382       5.298260  14.12784       4.660155  -6.522690      74.68527 
1 1 1 -12 15  6  o 228.0581 35.44737 15.13689       5.252330  12.48947       4.531003  15.66536       75.46924 
1 1 1 -12 15  7  o 115.3298 49.77920 3.433213       4.592690  0.000000       0.000000  ?              ?        
1 1 1 -12 15  8  o 70.08569 33.71075 -3.453454      4.419220  -2.115397      4.194897  -2.636070      56.76707 
1 1 1 -12 15  9  o 93.20308 40.19860 -1.046831      4.499113  3.638197       4.002904  -21.99656      63.84652 
1 1 1 -12 15  10 o 107.3602 44.77432 3.882260       6.216650  3.362077       4.243278  4.944847       70.21379 
1 1 1 -12 15  11 o 126.9653 45.69904 7.384037       4.965762  4.924221       4.294024  12.96883       71.65809 
1 1 1 -12 15  12 o 88.62239 42.30798 -0.3573832     6.927932  1.788182       6.145754  -3.282875      64.98930 
1 1 1 -12 15  13 o 95.05707 44.17121 5.497462       6.942122  1.248305       5.769590  11.52012       66.77061 
1 1 1 -12 15  14 o 81.72943 39.48419 -0.8944836     6.559849  2.020905       5.658689  -4.447006      60.03564 
1 1 1 -12 15  15 o 76.84838 37.68051 4.196907       6.628562  -3.455819      5.700193  15.19813       58.36606 
1 1 1 -12 15  16 o 90.17664 42.81210 4.390911       6.677447  5.335217       6.285692  -2.169563      61.18478 
1 1 1 -12 16  1  o 91.94788 42.61788 6.216065       6.028948  -7.590242      5.568694  57.34200       72.51406 
1 1 1 -12 16  2  o 136.4070 51.95254 9.683455       6.555409  2.414819       5.712049  41.97451       82.96529 
1 1 1 -12 16  3  o 184.3729 52.49150 8.718627       6.397920  12.77515       6.189434  -30.32657      88.45749 
1 1 1 -12 16  4  o 104.1024 46.80242 -6.496589      6.777968  7.206204       5.941711  -46.96823      74.68125 
1 1 1 -12 16  5  o 149.9431 54.74949 1.506523       7.021675  13.45325       6.287537  -63.75114      83.47003 
1 1 1 -12 16  6  o 123.3676 52.00209 2.297509       7.470213  6.689019       6.276704  -16.02583      79.93306 
1 1 1 -12 16  7  o 95.03613 44.24834 2.966183       6.731063  -2.411453      6.019580  19.64553       71.32507 
1 1 1 -12 16  8  o 111.2999 48.76323 2.500485       6.698537  4.558254       6.192168  -6.722649      75.07246 
1 1 1 -12 16  9  o 75.67802 37.41422 -9.404608      6.936612  -1.541674      6.059360  -10.76672      61.67068 
1 1 1 -12 16  10 o 98.14889 45.80920 1.202594       8.023228  2.956841       6.100743  -1.578575      69.80831 
1 1 1 -12 16  11 o 95.23590 44.62941 1.066555       7.112895  3.990641       6.231269  -6.180725      67.11040 
1 1 1 -12 16  12 f 90.21880 42.68531 6.425219       6.719647  -1.460410      5.999218  19.39699       65.36709 
1 1 1 -12 16  13 o 59.16926 29.54972 -1.884296      4.558579  -6.706777      4.348436  11.29498       49.38412 
1 1 1 -12 16  14 o 66.22500 32.70976 -2.524324      4.649915  -1.862659      5.175140  -3.325111      52.04251 
1 1 1 -12 16  15 o 68.65394 34.10098 -6.547385      5.783160  2.699650       5.436028  -14.36185      53.34090 
1 1 1 -12 17  1  o 78.74327 37.43612 -11.96559      7.003109  0.9280406      4.077686  -14.19474      62.06382 
1 1 1 -12 17  2  o 128.3188 47.29418 3.208065       5.343622  6.461493       4.650880  -20.37262      74.71788 
1 1 1 -12 17  3  o 103.9268 43.77157 4.480659       5.175594  0.8035537      4.510291  22.08166       70.11878 
1 1 1 -12 17  4  o 105.1499 44.16494 3.566911       5.343126  1.950501       4.510716  11.21758       70.28272 
1 1 1 -12 17  5  o 91.40881 40.64988 4.329891       5.035896  -1.500608      4.308610  31.13014       66.30829 
1 1 1 -12 17  6  o 134.1289 53.28186 5.117571       7.184947  8.490561       6.173074  -16.15709      80.80811 
1 1 1 -12 17  7  o 103.5942 46.63280 6.436246       6.933840  0.2003278      5.805975  22.43713       72.84088 
1 1 1 -12 17  8  o 92.18797 43.60545 -3.553234      6.944906  4.082373       6.295672  -17.42178      68.03620 
1 1 1 -12 17  9  o 69.84143 34.77586 -3.421951      6.212159  -6.692478      5.755203  8.185616       57.38738 
1 1 1 -12 17  10 o 79.39527 38.71421 -1.986791      6.847008  -0.6301731     5.697033  0.5518112      60.64277 
1 1 1 -12 17  11 o 111.6666 49.32001 8.210118       7.685542  6.168789       6.019161  1.884308       71.07216 
1 1 1 -12 17  12 o 100.2062 46.29392 12.08656       7.870141  2.078287       5.994486  19.16500       67.69824 
1 1 1 -12 17  13 o 81.77415 39.83338 7.386139       7.400372  -1.757136      5.878621  16.05270       60.13511 
1 1 1 -12 17  14 o 91.12001 43.48737 3.737995       6.646434  8.218985       7.092536  -7.042770      61.45069 
1 1 1 -12 18  1  o 98.30418 42.22255 6.640564       4.979580  -1.563342      4.343219  45.51414       68.31473 
1 1 1 -12 18  2  o 96.11040 41.53835 2.335261       4.932189  1.447516       4.219441  7.438393       66.15109 
1 1 1 -12 18  3  o 90.53548 40.46668 2.291315       4.893424  0.1734476E-01  4.438395  12.22895       64.74108 
1 1 1 -12 18  4  o 96.83751 41.85542 0.4482173      5.054418  3.388005       4.256554  -11.09850      65.60330 
1 1 1 -12 18  5  f 75.25822 35.76768 1.456565       4.948767  -3.419735      4.221184  21.27962       59.41863 
1 1 1 -12 18  6  o 75.63564 35.99502 -0.1814245     5.013663  -1.935732      4.323833  9.570244       58.63813 
1 1 1 -12 18  7  o 81.86098 37.96264 -2.948401      5.002508  2.947998       4.280410  -17.75782      59.97855 
1 1 1 -12 18  8  o 72.71785 34.83576 -0.2888746     4.853587  -1.552075      4.199122  6.982697       56.04774 
1 1 1 -12 18  9  o 69.33290 33.54326 -0.4042787     4.812348  -2.265375      4.097986  8.768181       54.27824 
1 1 1 -12 18  10 o 74.27230 35.11322 -0.6317736     4.762598  0.4182654      3.899662  0.1033783      55.36650 
1 1 1 -12 18  11 o 84.15483 38.72212 0.4683194      5.084543  3.734295       4.312301  -9.599388      58.19990 
1 1 1 -12 18  12 o 75.44259 35.90379 0.1645104      5.038575  1.607764       4.271180  -2.392059      54.68453 
1 1 1 -12 18  13 o 69.54977 33.86889 -4.144889      5.093122  2.994492       4.380467  -13.97284      52.26587 
1 1 1 -12 18  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -12 19  1  o 70.80645 34.18913 -4.626933      4.730453  -0.5387333     4.350541  -9.870186      56.58002 
1 1 1 -12 19  2  o 78.71958 36.82727 -2.716270      4.583937  1.656836       4.385878  -14.91313      59.46526 
1 1 1 -12 19  3  o 78.08039 36.57024 0.7459678      4.562485  -1.382017      4.327938  8.985329       58.89446 
1 1 1 -12 19  4  f 98.67978 44.58475 0.000000       0.000000  2.912379       4.112578  ?              ?        
1 1 1 -12 19  5  o 90.83306 40.31118 3.157963       4.844793  1.455474       4.269058  8.243401       62.48447 
1 1 1 -12 19  6  o 76.32883 35.92702 0.8992459      4.673659  -0.7967440     4.132778  8.032875       57.14483 
1 1 1 -12 19  7  o 66.00719 32.34945 0.9840810E-01  4.903449  -4.584796      4.163764  16.13416       53.66530 
1 1 1 -12 19  8  o 71.91182 34.60211 -0.1702947     4.847614  -1.539815      4.289680  6.282661       55.23991 
1 1 1 -12 19  9  o 101.5715 42.98843 5.714811       5.299636  4.187830       4.229539  3.668343       63.70017 
1 1 1 -12 19  10 o 69.74493 33.82852 0.8552964      5.220329  -1.280331      4.102056  8.358231       53.10761 
1 1 1 -12 19  11 o 59.93053 29.83597 -1.897033      4.869137  -3.827639      4.024973  7.626854       48.42286 
1 1 1 -12 19  12 o 70.37232 34.13094 -0.5602919     4.861691  1.383439       4.449064  -3.613686      51.85687 
1 1 1 -12 20  1  o 84.74514 38.70796 1.867022       4.725773  0.1242900      4.363384  8.181656       61.10880 
1 1 1 -12 20  2  o 95.75606 41.86396 1.306669       4.749526  4.130899       4.685822  -11.98174      64.47002 
1 1 1 -12 20  3  o 77.16463 36.42374 -0.1120370     4.638276  -0.4694714     4.482511  1.888847       57.96957 
1 1 1 -12 20  4  o 65.92580 32.29433 -4.752064      4.532517  -1.016909      4.385460  -8.898155      53.18773 
1 1 1 -12 20  5  o 63.01002 31.08542 -4.237046      4.526879  -2.560288      4.233910  -2.260735      51.31527 
1 1 1 -12 20  6  o 82.33499 38.10406 -1.688288      4.875464  3.897312       4.363546  -17.40652      58.79026 
1 1 1 -12 20  7  f 87.76717 39.72720 2.326848       4.987560  3.279640       4.361105  -3.051193      59.50288 
1 1 1 -12 20  8  o 80.55540 37.60273 -0.2485694     4.981845  3.585026       4.343583  -10.51248      56.70690 
1 1 1 -12 20  9  o 89.76765 40.47548 0.7102373      5.199111  6.162217       4.424219  -18.00799      59.34385 
1 1 1 -12 20  10 o 58.69590 29.44694 -3.337504      5.144742  -4.099140      4.288386  4.793182       47.55096 
1 1 1 -12 20  11 o 68.92375 33.64031 -0.2459501     5.252235  0.6775305      4.304459  -0.2551727     51.06534 
1 1 1 -12 21  1  o 80.99812 37.60720 -0.1988519     4.586360  2.125957       4.483870  -7.619850      58.45961 
1 1 1 -12 21  2  o 72.12601 34.77859 0.3942806      4.810805  -2.071539      4.499504  7.982338       55.35332 
1 1 1 -12 21  3  o 66.38783 32.60855 -4.004471      4.896388  -1.021690      4.421362  -4.660263      52.56024 
1 1 1 -12 21  4  o 83.28802 38.60757 4.550104       4.900368  -0.4679802     4.611298  16.27873       59.14192 
1 1 1 -12 21  5  o 74.80482 35.55904 -3.538050      4.510813  4.364666       4.476005  -23.30469      55.98673 
1 1 1 -12 21  6  o 78.09621 36.79730 -2.654470      4.536608  5.590882       4.696644  -24.77401      57.15043 
1 1 1 -12 21  7  o 84.86743 38.77454 5.069924       4.763635  1.203564       4.368852  12.38268       57.86528 
1 1 1 -12 21  8  o 69.18250 33.53694 -2.425458      4.674747  2.159747       4.284437  -9.982147      51.70028 
1 1 1 -12 21  9  o 95.26380 42.07840 5.849926       5.346005  5.724624       4.516291  -2.449501      59.32462 
1 1 1 -12 22  1  o 95.82791 42.27664 1.805324       4.863903  6.479604       4.959505  -16.72151      62.83722 
1 1 1 -12 22  2  f 63.52304 31.51036 -4.585536      4.729155  -1.538045      4.713872  -6.188782      50.95081 
1 1 1 -12 22  3  o 67.10878 32.84163 -4.889317      4.753533  1.600426       4.416212  -13.86884      52.29012 
1 1 1 -12 22  4  o 61.28699 30.40884 -0.3816848     4.703005  -4.653715      4.161965  11.47318       49.47415 
1 1 1 -12 22  5  o 66.74616 32.68899 -3.621189      4.722507  1.284512       4.411646  -9.957611      51.29173 
1 1 1 -12 22  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 -23 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 -22 1  o 159.1266 59.54113 11.90317       8.410957  7.187424       7.504567  20.02431       92.77353 
1 1 1 -11 -22 2  o 110.1344 50.36543 -0.6663494E-01 8.092244  2.359107       7.370484  -4.873985      79.63593 
1 1 1 -11 -21 1  o 99.12250 46.48992 2.659104       7.307934  -5.885461      7.132305  26.88383       76.79916 
1 1 1 -11 -21 2  o 102.6541 47.70713 1.878666       7.291334  -3.000398      7.355895  14.40025       77.13824 
1 1 1 -11 -21 3  o 94.41635 44.58479 -9.289330      6.437595  7.567003       7.334872  -58.27917      76.57100 
1 1 1 -11 -20 1  o 140.9140 54.60492 8.596496       7.082059  3.216347       6.565129  28.89378       86.82603 
1 1 1 -11 -20 2  o 96.77965 44.96594 -5.781815      6.670045  2.589696       6.341926  -26.45742      74.25050 
1 1 1 -11 -20 3  o 130.5380 52.88509 7.892499       6.918030  1.860780       6.427517  30.21517       83.82124 
1 1 1 -11 -20 4  o 111.5799 49.48583 -1.573144      6.623042  5.233621       7.024760  -27.85854      79.59071 
1 1 1 -11 -20 5  o 152.2472 64.68073 8.666622       7.531840  0.000000       0.000000  ?              ?        
1 1 1 -11 -19 1  o 122.1513 52.49888 4.192563       7.529405  0.6407744      6.848856  18.35582       84.84934 
1 1 1 -11 -19 2  o 153.7273 54.77396 6.832492       6.599210  7.044335       6.563347  -1.255096      88.16931 
1 1 1 -11 -19 3  o 118.5902 50.18924 -5.327919      6.270381  11.27490       6.478895  -81.41892      80.19169 
1 1 1 -11 -19 4  o 134.8749 54.48790 8.802905       6.771979  0.2064846      7.357422  38.97099       85.61774 
1 1 1 -11 -19 5  o 174.3018 58.91398 8.853913       7.296458  11.73129       7.867774  -14.62854      94.67561 
1 1 1 -11 -19 6  o 141.5851 61.58514 0.000000       0.000000  6.159292       7.140254  ?              ?        
1 1 1 -11 -18 1  o 144.2320 66.75488 -0.6442612     14.22608  1.373031       14.01062  -3.710480      106.6154 
1 1 1 -11 -18 2  o 122.6613 52.05731 -0.6432347     6.921336  5.165358       6.854074  -26.26844      84.08797 
1 1 1 -11 -18 3  o 188.5955 58.51192 12.41075       7.826485  9.432518       7.312784  17.69508       97.19723 
1 1 1 -11 -18 4  o 155.6698 55.72033 5.074681       7.057923  9.232493       6.601765  -23.94295      88.93844 
1 1 1 -11 -18 5  o 289.8172 62.43848 26.33058       7.702889  0.000000       0.000000  ?              ?        
1 1 1 -11 -18 6  o 144.6557 57.79503 0.6033396      7.961255  11.80584       7.714881  -49.59312      90.15170 
1 1 1 -11 -18 7  o 201.4902 56.68337 13.83626       6.879647  11.93909       8.010149  19.42627       96.11357 
1 1 1 -11 -17 1  o 197.6332 52.26912 14.11112       6.643574  7.082372       6.375344  54.98880       90.32858 
1 1 1 -11 -17 2  o 160.8337 70.51428 15.90963       14.41686  -2.777122      12.68390  54.98242       112.8763 
1 1 1 -11 -17 3  o 334.4006 71.78597 31.97386       14.56233  37.28808       14.33176  -30.54611      136.4613 
1 1 1 -11 -17 4  o 135.1086 56.09484 9.644814       8.180982  -0.7286169     7.345442  49.54916       90.44500 
1 1 1 -11 -17 5  o 110.1635 50.47986 2.177702       8.393967  -2.523189      7.304902  21.00994       82.94996 
1 1 1 -11 -17 6  o 184.6258 56.72561 10.67829       6.584491  10.05701       7.818931  7.424316       94.40114 
1 1 1 -11 -17 7  o 107.5120 48.08380 2.426143       6.213411  -1.325199      7.007865  10.16930       77.55592 
1 1 1 -11 -17 8  o 174.9517 55.81930 9.885244       6.477172  9.709751       7.249862  3.565399       91.44676 
1 1 1 -11 -16 1  o 394.7587 30.58302 40.46021       7.791597  32.23588       7.115725  45.38116       63.62920 
1 1 1 -11 -16 2  o 183.9002 55.18894 4.320914       6.987059  13.24417       6.620511  -63.51512      90.61067 
1 1 1 -11 -16 3  o 135.4141 53.50778 2.929561       6.812851  4.937555       6.488924  -9.426819      86.35104 
1 1 1 -11 -16 4  o 191.7861 75.96165 17.30085       14.04230  7.154543       12.87588  34.87646       119.0938 
1 1 1 -11 -16 5  o 141.7081 63.61961 -0.4381398     10.52783  7.154543       13.17068  -27.96152      102.5702 
1 1 1 -11 -16 6  f 203.0700 55.68078 10.33385       7.100124  14.24912       7.351734  -26.61058      96.06295 
1 1 1 -11 -16 7  o 184.9018 54.51637 11.28223       6.709187  9.031161       6.647624  15.77423       91.95953 
1 1 1 -11 -16 8  o 175.3139 49.58176 8.260610       5.711353  9.661892       5.555402  -11.75150      84.82858 
1 1 1 -11 -16 9  o 117.1155 47.54578 6.441495       5.584703  0.2797473      5.224102  36.11678       76.26447 
1 1 1 -11 -15 1  o 80.46509 39.05149 -7.552557      6.334269  -5.818852      5.894522  -0.5745697     68.96961 
1 1 1 -11 -15 2  o 255.6215 43.29093 15.68334       6.771938  16.09870       6.477426  -5.204163      87.44617 
1 1 1 -11 -15 3  o 399.9413 29.84143 30.57081       7.388866  43.21677       7.311845  -76.14920      63.66750 
1 1 1 -11 -15 4  f 169.1474 53.63845 13.97228       6.435247  1.928245       6.202409  86.41696       85.58257 
1 1 1 -11 -15 5  o 381.0677 28.63121 31.24057       6.335815  37.22918       7.180052  -30.97183      59.88987 
1 1 1 -11 -15 6  o 150.3575 63.70429 5.340852       10.26049  4.904360       10.30950  1.402252       100.8430 
1 1 1 -11 -15 7  o 145.4630 63.18663 2.285209       10.35831  7.537050       10.85954  -17.52429      99.50201 
1 1 1 -11 -15 8  o 316.6692 38.35676 24.04722       7.289229  26.78485       7.476888  -18.88962      84.60023 
1 1 1 -11 -15 9  o 134.7499 50.96246 5.933228       6.035070  4.197119       5.654680  11.19324       81.63175 
1 1 1 -11 -15 10 o 78.73463 37.52357 -4.056625      4.997880  -1.903742      5.143757  -8.880699      63.59610 
1 1 1 -11 -14 1  o 160.7409 51.81762 6.115834       6.055544  6.084723       5.710888  1.831741       86.71548 
1 1 1 -11 -14 2  o 147.0110 51.73661 4.195859       6.065230  5.413085       5.667586  -6.398224      85.24113 
1 1 1 -11 -14 3  o 335.8682 29.78318 18.61007       6.063261  33.55387       6.221694  -105.9213      65.07965 
1 1 1 -11 -14 4  o 87.37238 40.40065 -0.5759178     5.078863  -4.087545      5.230309  13.75958       68.82919 
1 1 1 -11 -14 5  o 149.5590 48.33026 6.102348       4.856937  5.313574       5.405828  4.819427       80.42179 
1 1 1 -11 -14 6  o 217.7634 40.23214 8.422940       5.150159  15.46691       5.323203  -66.42470      77.69973 
1 1 1 -11 -14 7  o 243.0651 50.71652 -2.284960      11.46403  20.82494       5.880223  -136.6625      84.02196 
1 1 1 -11 -14 8  o 140.2840 66.63445 -0.5500605     11.11503  0.000000       0.000000  ?              ?        
1 1 1 -11 -14 9  o 96.59730 44.86823 -1.383918      4.972971  -3.956900      11.60527  -31.55020      80.08928 
1 1 1 -11 -14 10 o 90.48985 41.74422 -2.872172      5.594927  0.2442070      5.324611  -10.19417      69.16640 
1 1 1 -11 -14 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 -13 1  o 105.3387 45.67698 -0.9816469E-01 5.518494  -0.3625260     5.520125  1.411674       76.56969 
1 1 1 -11 -13 2  o 248.9253 35.30902 20.25056       5.474267  9.103089       5.140254  100.6693       71.90029 
1 1 1 -11 -13 3  o 232.9620 38.03684 13.91496       5.301470  11.62505       5.313045  22.04895       76.59500 
1 1 1 -11 -13 4  o 582.4915 21.00954 83.09629       7.656375  69.02922       7.503872  55.30841       42.65855 
1 1 1 -11 -13 5  o 429.8469 28.76157 42.19181       10.06390  42.50371       6.385314  -24.01086      68.12727 
1 1 1 -11 -13 6  o 145.8091 46.11923 8.522981       4.605175  2.118617       4.741149  53.88549       74.98573 
1 1 1 -11 -13 7  o 98.56453 45.14367 0.000000       0.000000  -1.622296      4.400074  ?              ?        
1 1 1 -11 -13 8  o 239.8869 45.78867 15.90271       5.178827  11.75125       10.47326  56.72961       92.34708 
1 1 1 -11 -13 9  o 178.8579 68.14869 8.870618       10.60208  12.83094       10.36654  -16.12332      106.3173 
1 1 1 -11 -13 10 o 152.0746 65.37029 7.800035       10.84830  4.955014       11.39709  7.858902       101.5206 
1 1 1 -11 -13 11 o 69.05611 34.07922 -3.906863      5.040600  -9.639961      5.535302  10.40427       59.69114 
1 1 1 -11 -12 1  o 132.1473 43.79622 6.268771       4.288601  1.613894       4.086264  43.93858       72.00983 
1 1 1 -11 -12 2  o 519.1215 20.65805 54.21038       6.468064  65.95321       6.824373  -51.32861      41.68833 
1 1 1 -11 -12 3  o 294.3802 27.08229 20.46384       4.924537  18.66181       4.856403  14.19992       55.85978 
1 1 1 -11 -12 4  o 406.7663 21.96865 35.81137       5.462065  38.22326       5.585363  -13.37576      44.56575 
1 1 1 -11 -12 5  f 452.5841 20.98676 41.32328       5.629091  51.30158       6.158385  -49.12155      42.56528 
1 1 1 -11 -12 6  o 179.2606 39.39894 6.908894       4.278051  8.804606       4.244916  -20.14235      73.06120 
1 1 1 -11 -12 7  o 113.3881 44.60258 -0.1781505     5.090138  4.164177       4.226614  -22.36842      72.09512 
1 1 1 -11 -12 8  o 172.4175 41.68727 8.410273       4.326733  6.665446       4.496328  17.92622       75.13988 
1 1 1 -11 -12 9  o 98.32059 41.59838 0.1696461      4.232458  1.986603       4.533418  -13.65279      68.31612 
1 1 1 -11 -12 10 o 136.3193 46.66935 3.196206       4.681025  6.878022       4.821647  -28.85972      76.07977 
1 1 1 -11 -12 11 o 207.1384 66.06546 7.518789       8.838498  25.33555       10.51833  -85.47858      106.9944 
1 1 1 -11 -12 12 o 143.2747 53.87064 8.478481       5.215853  -2.218301      9.716980  36.84648       83.56207 
1 1 1 -11 -11 1  o 891.4531 18.64457 171.5569       10.16600  179.9437       10.46072  -21.13727      37.49268 
1 1 1 -11 -11 2  o 319.7775 24.22090 22.79408       4.835645  22.83967       4.704732  -0.6528931     49.35470 
1 1 1 -11 -11 3  o 376.1633 23.21637 30.26906       5.343203  32.81943       5.440007  -15.49146      47.08871 
1 1 1 -11 -11 4  o 725.5941 18.51704 124.0120       8.525738  109.9395       8.142906  43.77277       37.26227 
1 1 1 -11 -11 5  o 209.5562 33.43141 10.55999       4.170576  9.871508       4.229833  7.630508       67.50890 
1 1 1 -11 -11 6  f 164.5167 38.96077 7.608745       4.049935  5.641529       3.791487  21.55711       70.55447 
1 1 1 -11 -11 7  o 423.8163 20.15925 37.76981       5.247972  42.98988       5.322240  -28.27689      41.01533 
1 1 1 -11 -11 8  o 99.45490 40.31739 2.129209       3.885171  0.7656800      3.861047  10.05566       66.09953 
1 1 1 -11 -11 9  o 80.29878 36.52305 -0.2115015     4.014950  -1.991567      3.951033  10.17438       61.62594 
1 1 1 -11 -11 10 o 131.7785 44.30902 4.127206       4.211705  4.863013       4.351255  -6.654572      73.06739 
1 1 1 -11 -11 11 o 76.37042 35.57045 -0.8150446     4.072203  -2.815449      4.141710  8.443077       60.22556 
1 1 1 -11 -11 12 o 101.8865 44.76458 4.345386       7.104902  -0.5974576     4.591343  36.68681       76.03944 
1 1 1 -11 -11 13 o 185.8192 60.73117 10.36588       7.410359  13.80706       8.904485  -13.31877      98.63689 
1 1 1 -11 -10 1  o 446.4641 18.43158 45.29414       5.130784  42.94925       5.057342  11.95349       37.11759 
1 1 1 -11 -10 2  o 538.4258 17.96797 61.37909       5.867555  67.06594       6.126503  -23.83356      36.13759 
1 1 1 -11 -10 3  o 350.9358 22.82185 26.52528       4.934634  28.28515       4.947799  -11.59927      46.30255 
1 1 1 -11 -10 4  o 313.6659 27.26372 14.80899       4.965261  31.35240       5.595308  -121.4333      58.42607 
1 1 1 -11 -10 5  o 358.3488 21.76152 30.45643       4.835669  26.87335       4.793786  23.08038       44.23005 
1 1 1 -11 -10 6  o 85.33102 37.28016 -1.131734      3.786068  0.4544296      3.686296  -8.896507      62.57923 
1 1 1 -11 -10 7  o 532.3818 18.75526 61.30941       6.141745  65.22641       6.227550  -16.70447      37.91299 
1 1 1 -11 -10 8  o 543.6891 18.69171 63.28368       6.235545  69.27714       6.355408  -25.01489      37.87085 
1 1 1 -11 -10 9  o 354.2163 32.07344 0.000000       0.000000  29.65629       4.929330  ?              ?        
1 1 1 -11 -10 10 f 257.3587 27.31008 12.64324       4.288019  18.43134       4.298882  -54.37427      58.85709 
1 1 1 -11 -10 11 o 206.3025 34.29454 12.16159       4.290584  9.044847       4.181096  32.65308       69.64527 
1 1 1 -11 -10 12 o 330.0620 24.57742 5.359405       4.416098  61.20763       5.887228  -369.8848      59.01850 
1 1 1 -11 -10 13 o 84.64366 38.12417 2.676124       4.334696  -3.144859      4.103823  32.30660       63.67964 
1 1 1 -11 -9  1  o 300.6104 22.80805 18.54666       4.177479  21.75916       4.266714  -24.67758      46.50956 
1 1 1 -11 -9  2  o 696.5798 17.35487 110.0012       7.571082  104.2983       7.429107  18.57153       34.89956 
1 1 1 -11 -9  3  o 142.3540 41.79121 5.420115       3.998039  4.035931       3.868263  14.79079       71.30295 
1 1 1 -11 -9  4  o 543.0359 18.71014 66.77403       6.346451  63.68047       6.241302  12.92206       37.63488 
1 1 1 -11 -9  5  o 276.9209 26.76984 14.49238       4.443706  20.27187       4.645507  -48.56526      55.72114 
1 1 1 -11 -9  6  o 146.7124 41.25527 5.963716       3.915154  4.263759       3.906110  17.62645       70.99416 
1 1 1 -11 -9  7  o 690.7316 25.89248 107.5080       7.830957  0.000000       0.000000  ?              ?        
1 1 1 -11 -9  8  o 287.1316 24.54794 23.82254       4.548563  14.52104       4.140927  74.24808       51.63792 
1 1 1 -11 -9  9  o 335.3849 23.85021 23.35004       4.787406  28.35305       5.085200  -33.34164      49.23457 
1 1 1 -11 -9  10 o 127.9089 42.00521 5.149641       3.938413  2.995854       3.770214  20.72876       69.66500 
1 1 1 -11 -9  11 o 101.7120 40.83891 1.437392       3.940871  2.130063       3.923498  -4.806427      66.60758 
1 1 1 -11 -9  12 o 176.7396 39.28215 6.458454       4.214111  9.805752       4.176225  -35.17595      72.42568 
1 1 1 -11 -9  13 o 86.37189 37.68090 0.3747904      3.783136  0.3343004      3.825473  -0.1589890     61.92244 
1 1 1 -11 -9  14 o 126.7672 42.96416 2.250386       3.918316  6.788065       4.138680  -38.83071      69.78340 
1 1 1 -11 -8  1  o 582.9879 16.23825 77.13319       5.947686  72.82096       5.788880  16.76703       32.59237 
1 1 1 -11 -8  2  o 320.4622 20.62577 24.18450       4.139023  21.47777       4.020384  19.31262       41.78515 
1 1 1 -11 -8  3  o 827.2040 17.62422 153.7345       9.096822  148.4735       8.991197  14.42889       35.42483 
1 1 1 -11 -8  4  o 267.4709 25.39928 10.61523       4.013937  22.35859       4.331545  -102.4743      54.79239 
1 1 1 -11 -8  5  o 288.3179 24.63419 18.24137       4.331347  18.94001       4.396679  -5.497681      50.38983 
1 1 1 -11 -8  6  o 522.4205 18.36732 58.91587       5.881286  62.04319       6.006712  -13.52850      36.97947 
1 1 1 -11 -8  7  o 505.5011 18.57456 56.05117       5.801538  57.45893       5.827695  -6.349457      37.45754 
1 1 1 -11 -8  8  o 117.9579 41.70378 5.039893       3.940066  1.195180       3.689414  36.34451       68.34728 
1 1 1 -11 -8  9  o 86.52282 38.48043 -1.203233      3.595305  0.5070800      5.078541  -26.47672      66.51923 
1 1 1 -11 -8  10 o 343.8145 22.68469 31.49036       5.001333  23.08906       4.640951  55.14609       46.90592 
1 1 1 -11 -8  11 o 258.0242 26.42771 14.65258       4.131511  16.42820       4.210119  -15.94014      55.79327 
1 1 1 -11 -8  12 o 240.2579 28.97036 15.36331       4.163449  12.14696       4.301121  33.87956       62.27874 
1 1 1 -11 -8  13 o 98.95840 40.50992 4.679832       3.899984  -1.604414      4.014925  41.83041       65.22116 
1 1 1 -11 -8  14 o 141.3488 42.11454 9.265839       4.002073  1.891263       3.935852  68.49183       67.93329 
1 1 1 -11 -8  15 o 95.53746 41.03531 -2.191507      5.076937  3.128776       3.897995  -19.67881      65.90836 
1 1 1 -11 -7  1  o 419.0114 17.23797 39.89983       4.491091  37.61966       4.451081  12.44144       34.67290 
1 1 1 -11 -7  2  o 407.0428 17.83886 37.88071       4.484735  35.30695       4.501959  14.55228       35.93067 
1 1 1 -11 -7  3  o 243.2235 25.18854 14.45022       3.706087  12.03278       3.786031  23.73955       52.27435 
1 1 1 -11 -7  4  o 891.7694 17.88647 176.0610       9.865297  175.2137       9.923949  2.255676       35.95250 
1 1 1 -11 -7  5  o 389.6262 19.76483 31.44457       4.679225  36.00665       4.848106  -26.67062      39.90976 
1 1 1 -11 -7  6  o 176.0488 40.70824 8.195509       4.353180  6.416729       4.360562  18.59366       74.03206 
1 1 1 -11 -7  7  o 401.8337 19.44180 37.44745       4.805824  34.26969       4.858192  18.36523       39.33836 
1 1 1 -11 -7  8  o 360.8345 24.61965 19.70982       6.496180  34.61598       4.824723  -109.4010      61.55127 
1 1 1 -11 -7  9  o 544.8352 25.92869 67.32848       6.178726  0.000000       0.000000  ?              ?        
1 1 1 -11 -7  10 o 294.2578 24.35979 22.69542       4.478361  17.10174       4.338351  44.25357       50.95324 
1 1 1 -11 -7  11 o 222.7080 31.11476 13.21893       4.185015  10.41330       4.177703  29.57806       65.09055 
1 1 1 -11 -7  12 o 147.1682 40.59328 5.258550       3.756103  6.012563       3.899699  -7.736115      70.43219 
1 1 1 -11 -7  13 o 70.07867 33.17797 1.751934       3.697925  -7.211565      3.989390  36.75446       57.38453 
1 1 1 -11 -7  14 o 95.72369 39.46849 2.239033       3.761722  0.7235320      3.819750  9.809402       64.09258 
1 1 1 -11 -7  15 o 93.80073 38.88696 1.234830       3.638645  1.679613       3.779225  -4.057358      63.09040 
1 1 1 -11 -6  1  o 442.8798 16.79564 43.21667       4.654547  43.33723       4.558677  -0.7373962     33.76727 
1 1 1 -11 -6  2  o 181.0515 31.50031 6.915954       3.393844  8.102049       3.425144  -14.23769      61.89870 
1 1 1 -11 -6  3  o 543.7068 16.51668 70.11465       5.658053  60.59967       5.474799  39.86121       33.19592 
1 1 1 -11 -6  4  o 135.5228 37.97094 5.781264       3.225965  2.565349       3.420751  34.79155       64.40024 
1 1 1 -11 -6  5  o 921.9492 18.07045 189.9522       10.35491  185.6123       10.31434  10.72778       36.32412 
1 1 1 -11 -6  6  o 295.3811 22.66184 17.31953       3.963331  21.94744       4.298299  -35.57730      46.19718 
1 1 1 -11 -6  7  o 81.10482 36.37311 -4.216481      3.632347  2.658486       3.970919  -47.54700      62.53081 
1 1 1 -11 -6  8  o 144.0511 48.73486 0.000000       0.000000  4.703341       3.660975  ?              ?        
1 1 1 -11 -6  9  o 112.8632 42.82322 0.4446769      3.467830  7.022430       5.407803  -67.42783      73.56151 
1 1 1 -11 -6  10 o 370.0222 20.01912 29.11376       4.470960  32.57251       4.692953  -20.79904      40.71893 
1 1 1 -11 -6  11 o 262.6311 25.81293 13.44752       4.135805  18.57743       4.166461  -46.80290      55.06934 
1 1 1 -11 -6  12 o 76.36102 34.62927 2.010554       3.599977  -3.724083      3.497818  34.68293       58.81112 
1 1 1 -11 -6  13 o 187.2355 37.56128 12.87068       4.141171  4.768548       4.283871  84.03645       68.28410 
1 1 1 -11 -6  14 o 120.1253 42.60850 4.198643       3.852365  3.151803       4.117508  7.545578       69.39229 
1 1 1 -11 -6  15 o 90.56568 38.60245 0.9108493      3.738418  1.086046       3.897971  -2.381081      62.83327 
1 1 1 -11 -6  16 o 104.7395 41.09434 1.651514       3.666970  3.777915       4.171644  -17.64820      66.46662 
1 1 1 -11 -5  1  o 263.9753 22.19561 15.52486       3.607295  15.52836       3.594508  -0.6277466E-01 45.29094 
1 1 1 -11 -5  2  o 579.2161 16.09920 75.01675       5.809145  72.88587       5.748978  8.361145       32.31062 
1 1 1 -11 -5  3  o 528.7093 16.49940 61.72648       5.344270  61.54670       5.467170  0.9102173      33.14110 
1 1 1 -11 -5  4  o 106.9257 39.10100 2.064504       3.426822  2.181294       3.336260  -0.9963226E-01 64.67947 
1 1 1 -11 -5  5  o 137.6861 38.85502 5.757788       3.478941  3.102132       3.446146  29.39186       66.34149 
1 1 1 -11 -5  6  o 387.3959 19.48632 32.48143       4.645948  34.06250       4.689792  -9.325958      39.32707 
1 1 1 -11 -5  7  o 159.7186 39.94927 7.356383       3.877968  4.561990       4.021151  29.52357       70.49136 
1 1 1 -11 -5  8  o 536.3970 21.41811 58.04181       9.125834  66.64674       6.026932  -45.30106      48.97140 
1 1 1 -11 -5  9  o 108.6325 39.99900 0.7606516      3.387795  4.152776       3.731779  -33.63205      65.75655 
1 1 1 -11 -5  10 o 186.8269 33.59338 7.787318       3.594121  8.880862       3.928343  -11.33875      66.24705 
1 1 1 -11 -5  11 o 290.4005 23.90433 21.30846       4.312112  17.35617       4.225347  31.74405       49.78003 
1 1 1 -11 -5  12 o 76.34775 34.51050 -0.3798431     3.451629  -1.364898      3.528224  4.749100       58.13048 
1 1 1 -11 -5  13 o 107.7332 40.42179 2.766038       3.505426  2.333432       3.825668  1.342339       65.92224 
1 1 1 -11 -5  14 o 333.0122 22.54680 25.43498       4.506042  26.22747       4.765069  -3.261047      47.00523 
1 1 1 -11 -5  15 f 116.8388 42.00861 0.2278271      3.737869  7.459877       4.040381  -60.46548      66.83552 
1 1 1 -11 -5  16 o 81.54941 36.62644 1.812525       3.833280  -2.216567      3.885187  20.95408       60.43293 
1 1 1 -11 -4  1  f 668.6719 15.75496 96.17245       6.504079  101.0255       6.566396  -16.54309      31.65941 
1 1 1 -11 -4  2  o 281.7602 20.99994 17.74527       3.664254  17.53431       3.624098  1.655121       42.65333 
1 1 1 -11 -4  3  o 1004.628 18.49417 217.2288       11.29764  228.3729       11.76753  -24.89233      37.14041 
1 1 1 -11 -4  4  o 475.3982 16.65572 50.35439       4.875720  49.37058       4.933129  4.813141       33.47621 
1 1 1 -11 -4  5  f 315.3156 20.46266 19.88750       3.901095  24.47422       4.065630  -33.32147      41.56226 
1 1 1 -11 -4  6  o 713.1506 16.81152 109.6272       7.291764  115.1324       7.591521  -17.26990      33.80481 
1 1 1 -11 -4  7  o 783.8568 17.59164 136.1269       8.525952  135.1516       8.581931  2.923401       35.36528 
1 1 1 -11 -4  8  o 181.9636 37.39523 7.941689       4.115679  7.612144       4.044855  3.608765       70.65192 
1 1 1 -11 -4  9  o 167.6093 37.01849 5.999347       3.721764  7.372323       3.770665  -15.61205      68.39363 
1 1 1 -11 -4  10 o 231.7865 27.49941 13.05114       3.868748  11.61232       3.885227  14.87622       57.45825 
1 1 1 -11 -4  11 o 341.5505 20.83513 25.32480       4.314349  27.38200       4.476866  -13.29922      42.53187 
1 1 1 -11 -4  12 o 181.8822 34.98727 7.513292       3.746860  8.826456       3.864137  -14.33406      68.03104 
1 1 1 -11 -4  13 o 133.3982 41.06750 5.040275       3.621325  4.054878       3.851162  9.044769       69.02860 
1 1 1 -11 -4  14 o 201.0834 34.10379 9.828652       3.955458  10.50334       4.266440  -4.386368      69.53452 
1 1 1 -11 -4  15 o 88.01158 37.69934 -3.293439      3.503272  5.646619       3.867015  -63.15578      61.95074 
1 1 1 -11 -4  16 o 145.3228 40.99199 7.478333       3.752973  4.194659       3.965031  32.48006       69.41874 
1 1 1 -11 -4  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 -3  1  o 626.9127 15.55376 89.56797       6.188395  84.07627       5.917969  19.69135       31.27033 
1 1 1 -11 -3  2  o 350.7647 18.35947 29.93934       4.112533  24.84007       3.861086  33.01730       37.05201 
1 1 1 -11 -3  3  o 400.2936 17.54674 34.20241       4.287723  36.63843       4.407664  -13.81824      35.30969 
1 1 1 -11 -3  4  o 534.4401 16.13044 60.62651       5.280544  65.43520       5.404639  -20.46796      32.38947 
1 1 1 -11 -3  5  o 480.6196 16.42345 54.81339       5.011800  47.51601       4.775302  34.47043       33.01473 
1 1 1 -11 -3  6  o 295.1026 21.66514 21.11365       3.997031  17.79940       3.882162  25.83810       44.16439 
1 1 1 -11 -3  7  o 183.0155 35.87284 8.379550       3.922285  7.212344       3.931568  13.13327       68.53535 
1 1 1 -11 -3  8  o 319.9373 24.02875 23.74149       4.752623  22.02658       4.715577  12.40216       49.00567 
1 1 1 -11 -3  9  o 129.2778 41.24152 4.765827       3.688726  2.851172       3.770634  18.32143       68.90072 
1 1 1 -11 -3  10 o 147.7974 39.48085 4.792523       3.665520  5.773709       3.711483  -10.77934      69.05424 
1 1 1 -11 -3  11 o 225.6535 28.30324 15.82237       4.003097  8.269512       3.758273  77.15819       59.51221 
1 1 1 -11 -3  12 f 455.3788 18.52737 45.07795       5.190907  48.35806       5.255085  -16.39996      37.66556 
1 1 1 -11 -3  13 f 62.46900 30.18299 0.9642133      3.515885  -8.036080      3.572009  38.47665       54.29389 
1 1 1 -11 -3  14 o 101.2321 39.18662 2.002651       3.391502  2.271213       3.628182  -3.902977      63.81917 
1 1 1 -11 -3  15 o 84.62192 36.90820 0.2495507      3.489248  0.5425977      3.830013  -4.976677      60.67238 
1 1 1 -11 -3  16 o 94.49086 38.83677 1.555127       3.482463  1.789973       3.855519  -4.173019      62.84236 
1 1 1 -11 -3  17 o 102.3224 40.36518 1.168479       3.533953  4.301230       4.075581  -24.83854      65.25400 
1 1 1 -11 -2  1  o 125.6527 37.90389 3.429952       3.207932  3.849831       3.191710  -4.552917      64.34798 
1 1 1 -11 -2  2  o 516.3595 15.86851 56.55909       5.071097  61.12578       5.082493  -20.25339      31.89789 
1 1 1 -11 -2  3  o 620.4218 15.96355 78.09431       5.915307  92.73029       6.389330  -53.37329      32.03767 
1 1 1 -11 -2  4  o 314.0381 19.87555 20.22288       3.741669  23.70333       3.972659  -25.17285      40.21513 
1 1 1 -11 -2  5  o 455.4775 16.60753 50.69130       4.858842  41.54678       4.527621  45.51874       33.39949 
1 1 1 -11 -2  6  o 587.4449 16.12273 74.30876       5.810279  78.14722       5.930849  -14.80511      32.38590 
1 1 1 -11 -2  7  o 686.5725 16.51789 105.8193       7.072768  102.3312       6.997609  11.53577       33.21358 
1 1 1 -11 -2  8  o 416.9985 18.52323 40.53086       4.849916  36.59862       4.712064  21.44757       37.34085 
1 1 1 -11 -2  9  o 395.5798 19.01874 33.54829       4.540584  36.09976       4.774776  -14.34219      38.41315 
1 1 1 -11 -2  10 o 203.0990 30.65981 9.457208       3.689943  9.665813       3.797438  -1.898865      62.52813 
1 1 1 -11 -2  11 o 404.5978 18.68349 38.35720       4.630406  34.81403       4.724062  20.61102       37.96703 
1 1 1 -11 -2  12 o 218.1027 29.53104 9.738148       3.726346  12.95341       4.083780  -32.05789      61.58999 
1 1 1 -11 -2  13 o 298.2697 22.63072 21.37847       4.159938  19.54994       4.151977  14.48618       46.98672 
1 1 1 -11 -2  14 f 91.60241 38.19411 0.2516204      3.582376  1.913086       3.628970  -11.95190      62.48560 
1 1 1 -11 -2  15 o 166.4883 39.28671 10.63407       4.030908  4.368635       3.953230  64.20760       68.95315 
1 1 1 -11 -2  16 o 137.6198 50.05103 0.000000       0.000000  5.695285       3.909081  ?              ?        
1 1 1 -11 -2  17 o 143.2344 40.46827 5.227735       3.618042  6.578131       3.905741  -12.23805      69.51981 
1 1 1 -11 -1  1  o 352.9285 24.56077 27.83190       5.387058  28.01089       5.301004  -1.443970      50.07777 
1 1 1 -11 -1  2  o 342.5614 18.33098 28.40572       3.976688  23.81864       3.792110  30.49783       37.04228 
1 1 1 -11 -1  3  o 316.4949 19.49883 22.22492       3.819650  22.18312       3.799603  0.2684937      39.42881 
1 1 1 -11 -1  4  o 220.2014 26.12447 8.354753       3.426409  13.67970       3.576476  -56.34148      54.48682 
1 1 1 -11 -1  5  o 946.0156 18.02427 193.1849       10.40520  202.0370       10.75811  -21.00800      36.20709 
1 1 1 -11 -1  6  o 400.5419 17.82249 36.45609       4.411016  34.54352       4.423339  11.00308       35.92188 
1 1 1 -11 -1  7  o 867.4205 17.52591 163.4288       9.300066  169.3014       9.566207  -15.11279      35.24038 
1 1 1 -11 -1  8  o 574.0461 16.93315 73.30901       6.025018  72.31499       6.021341  3.964478       34.03356 
1 1 1 -11 -1  9  f 476.0183 18.40888 54.76689       5.516163  45.98829       5.339359  42.04724       37.15745 
1 1 1 -11 -1  10 o 182.7174 38.54036 5.491833       3.561493  13.93102       5.512751  -83.84660      72.51212 
1 1 1 -11 -1  11 o 589.2050 17.04428 76.31968       6.143250  78.30431       6.306085  -7.280457      34.39107 
1 1 1 -11 -1  12 o 232.6438 26.95543 12.25682       3.755161  12.87612       3.884392  -5.451950      56.62893 
1 1 1 -11 -1  13 o 209.1824 30.88764 9.057782       3.760411  12.27486       4.028586  -33.28882      64.07532 
1 1 1 -11 -1  14 o 206.2816 31.06344 8.447651       3.668383  12.69531       4.065546  -43.58134      64.16397 
1 1 1 -11 -1  15 o 208.0903 31.78624 10.72704       3.840987  10.87051       4.119860  1.694885       66.66045 
1 1 1 -11 -1  16 o 84.82253 36.95044 -0.8242418     3.661999  1.783247       3.631338  -15.45354      60.45818 
1 1 1 -11 -1  17 o 123.4398 41.90961 1.274755       3.707908  7.978554       3.962811  -57.10604      66.84209 
1 1 1 -11 -1  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 0   1  o 536.6353 21.59204 62.02049       7.157967  66.28258       7.188155  -18.24274      43.64476 
1 1 1 -11 0   2  o 127.0435 37.06512 3.896619       3.119775  3.570240       3.082491  3.992737       63.41754 
1 1 1 -11 0   3  o 189.0557 29.04157 9.092274       3.316979  7.210367       3.277570  22.49309       58.53686 
1 1 1 -11 0   4  o 516.7231 16.14840 57.92077       5.147176  59.85714       5.192639  -8.533508      32.42879 
1 1 1 -11 0   5  o 329.7216 19.76951 22.51931       3.916131  25.87148       4.143376  -23.04254      39.97017 
1 1 1 -11 0   6  f 204.6206 28.48800 8.041273       3.433895  11.14252       3.608768  -34.54492      58.25326 
1 1 1 -11 0   7  o 300.9567 21.14886 20.90991       3.889057  19.43834       3.958126  11.55197       43.05824 
1 1 1 -11 0   8  o 283.0651 23.95628 19.37724       4.176011  16.50756       4.158142  23.72305       49.22424 
1 1 1 -11 0   9  o 454.2166 19.22162 43.78189       5.341048  47.86540       5.468485  -20.43594      38.77571 
1 1 1 -11 0   10 o 92.92113 41.69103 -1.197963      3.525502  0.000000       0.000000  ?              ?        
1 1 1 -11 0   11 o 159.6732 36.35140 4.338951       3.428550  8.169793       3.618144  -44.16533      65.59318 
1 1 1 -11 0   12 o 186.0485 34.72701 12.18293       3.964884  4.925116       3.763890  79.10913       65.10912 
1 1 1 -11 0   13 o 178.7186 35.31784 6.855178       3.678638  9.162752       3.882732  -25.12611      67.98884 
1 1 1 -11 0   14 o 318.5255 22.19568 25.45561       4.301277  21.21027       4.417365  32.59015       46.46111 
1 1 1 -11 0   15 o 243.6446 27.45232 14.75611       4.008353  13.83016       4.149181  11.07874       59.23576 
1 1 1 -11 0   16 f 140.6545 41.30849 5.282028       3.705847  5.965228       3.991216  -5.884827      70.16549 
1 1 1 -11 0   17 o 254.9025 27.14433 17.15615       4.159922  14.94958       4.295650  23.92952       59.93124 
1 1 1 -11 0   18 o 78.79158 35.34417 1.945430       3.681204  -1.554260      3.489075  20.55891       58.04087 
1 1 1 -11 1   1  o 178.9353 30.70742 5.931221       3.247123  8.953248       3.325781  -36.63495      60.34504 
1 1 1 -11 1   2  o 158.6789 33.44098 6.572215       3.165268  5.148469       3.210573  17.62289       62.42695 
1 1 1 -11 1   3  o 409.7571 16.68218 37.06102       4.263893  37.10910       4.199687  -0.3588867     33.56335 
1 1 1 -11 1   4  o 339.5754 18.11922 23.70986       3.754486  27.40344       3.853274  -24.89545      36.59002 
1 1 1 -11 1   5  o 300.5893 20.85545 17.75791       3.848315  22.42700       3.881156  -36.01926      42.61784 
1 1 1 -11 1   6  o 533.7338 16.30359 61.40362       5.376046  64.41939       5.407213  -12.90839      32.76506 
1 1 1 -11 1   7  o 203.5551 28.82213 14.13866       3.670710  5.393921       3.418143  95.97568       58.22332 
1 1 1 -11 1   8  o 156.3759 38.45022 5.037097       3.665606  6.541293       3.742130  -17.02892      68.69664 
1 1 1 -11 1   9  o 527.6812 21.57993 55.04102       9.026196  64.94355       5.978492  -51.28003      49.59258 
1 1 1 -11 1   10 o 470.9558 24.98835 49.85220       5.143538  0.000000       0.000000  ?              ?        
1 1 1 -11 1   11 o 227.6547 26.99512 15.37193       3.779193  8.569856       3.698332  70.36365       57.34029 
1 1 1 -11 1   12 o 198.8687 31.31121 11.49350       3.779074  7.355260       3.692525  46.38345       63.31869 
1 1 1 -11 1   13 o 318.9601 21.63159 23.10729       4.198223  23.43093       4.313416  -1.620728      44.59060 
1 1 1 -11 1   14 o 283.1218 23.48344 21.50566       4.035659  15.59466       4.140846  51.27800       50.48919 
1 1 1 -11 1   15 o 95.83170 38.82812 1.420209       3.599360  1.925897       3.580787  -3.501541      63.01496 
1 1 1 -11 1   16 o 121.0474 41.15038 6.011268       3.659797  2.103228       3.724376  33.83357       66.42471 
1 1 1 -11 1   17 o 81.43553 36.34832 1.920299       3.714520  -1.632299      3.760437  18.80711       59.46484 
1 1 1 -11 1   18 o 115.5146 41.12492 6.737517       3.657398  0.9787698      3.763311  46.01478       64.83275 
1 1 1 -11 2   1  o 400.6531 16.70922 36.56578       4.275613  34.64703       4.023262  10.52255       33.68263 
1 1 1 -11 2   2  o 520.8751 15.77810 56.72937       5.061081  63.16086       5.123855  -28.21274      31.73083 
1 1 1 -11 2   3  f 182.0679 30.49530 10.41877       3.421087  5.071229       3.231907  63.46458       59.34410 
1 1 1 -11 2   4  o 132.1093 37.58209 4.397400       3.288192  3.687243       3.167436  8.852524       64.67919 
1 1 1 -11 2   5  o 413.7329 17.13461 39.80299       4.498521  36.02025       4.285299  20.67636       34.47734 
1 1 1 -11 2   6  o 265.2176 21.87228 16.11449       3.632887  15.30819       3.503565  6.746338       44.64730 
1 1 1 -11 2   7  o 612.0009 16.27634 84.61935       6.248537  81.03863       6.101326  13.17841       32.71135 
1 1 1 -11 2   8  o 340.5449 20.13763 28.39512       4.348096  23.44130       4.130337  33.10904       40.82521 
1 1 1 -11 2   9  o 290.1709 32.95519 0.000000       0.000000  19.22731       4.120279  ?              ?        
1 1 1 -11 2   10 o 235.5552 31.44923 12.02160       3.755476  14.70113       5.901069  -16.09668      69.09729 
1 1 1 -11 2   11 o 214.7524 28.41292 11.18620       3.625027  10.07999       3.763376  12.91319       59.14030 
1 1 1 -11 2   12 o 99.13535 38.75418 -0.2301347     3.452609  3.603501       3.454343  -31.48052      63.09700 
1 1 1 -11 2   13 o 443.1191 18.56436 47.14484       5.158755  41.67075       5.026987  27.99939       37.82002 
1 1 1 -11 2   14 o 291.2513 23.32160 18.27099       4.056396  21.38198       4.311927  -23.21301      48.78370 
1 1 1 -11 2   15 o 156.5541 37.68011 2.748022       3.528963  10.61837       3.707392  -83.26376      63.59950 
1 1 1 -11 2   16 o 78.62898 35.07382 1.666790       3.431469  -1.789684      3.518408  19.00438       57.72848 
1 1 1 -11 2   17 o 62.66687 30.28083 -1.159213      3.611606  -4.581916      3.526431  14.31638       52.25703 
1 1 1 -11 2   18 o 85.60970 36.83599 3.209569       3.543376  -1.010180      3.526952  25.84295       59.40716 
1 1 1 -11 3   1  f 379.1793 16.73265 33.24475       4.065381  30.59149       3.800110  15.58716       33.72517 
1 1 1 -11 3   2  o 225.3558 23.35620 13.12798       3.377928  9.948126       3.078388  32.15402       48.16181 
1 1 1 -11 3   3  o 83.84885 35.03563 0.7293394      3.085818  -0.7832837E-04 3.002552  7.097763       58.49884 
1 1 1 -11 3   4  o 262.8942 22.17149 13.08947       3.596400  17.68202       3.567826  -41.07645      46.02835 
1 1 1 -11 3   5  o 384.0240 17.99132 32.72806       4.304844  32.52786       4.243699  1.101593       36.25368 
1 1 1 -11 3   6  f 93.89529 37.36782 1.251485       3.235297  0.9674985      3.290804  1.692741       61.87157 
1 1 1 -11 3   7  o 615.7014 16.66832 79.58411       6.172584  88.66579       6.566283  -33.12762      33.51223 
1 1 1 -11 3   8  o 493.2828 17.14523 54.94974       5.378121  52.86720       5.108946  9.220032       34.52328 
1 1 1 -11 3   9  o 158.0981 47.06608 0.000000       0.000000  5.933607       3.505977  ?              ?        
1 1 1 -11 3   10 o 229.5761 27.81537 12.93737       4.027185  11.26765       3.748787  15.88747       57.80423 
1 1 1 -11 3   11 f 229.0410 27.50118 13.61626       3.975391  10.73168       3.698180  28.29964       57.39014 
1 1 1 -11 3   12 o 107.5717 40.01349 2.260406       3.642393  2.490534       3.494311  -0.7361984     65.64721 
1 1 1 -11 3   13 o 112.1712 40.25449 3.310212       3.634163  2.528404       3.492338  7.833611       66.02496 
1 1 1 -11 3   14 o 86.84048 37.21063 -0.4886884     3.532298  1.757146       3.628458  -15.60693      61.16275 
1 1 1 -11 3   15 o 171.2535 35.82662 6.546298       3.659257  8.732673       3.708128  -24.42888      67.94221 
1 1 1 -11 3   16 o 118.7974 40.84235 3.064571       3.633373  4.838512       3.644191  -15.37184      66.43158 
1 1 1 -11 3   17 o 217.5626 29.90558 18.08620       4.158254  7.171938       3.734498  109.1008       62.19995 
1 1 1 -11 3   18 o 263.6325 25.66076 17.58233       4.233239  17.06690       4.059117  1.569977       56.61208 
1 1 1 -11 4   1  o 341.7845 18.58447 25.49548       4.021041  26.28384       3.836242  -5.695587      37.61952 
1 1 1 -11 4   2  o 176.0836 30.74373 3.959944       3.244286  10.26015       3.227717  -75.32198      58.46673 
1 1 1 -11 4   3  o 410.5931 16.81214 37.45542       4.338465  37.03709       4.210385  2.159821       33.83319 
1 1 1 -11 4   4  o 328.1974 26.01226 0.000000       0.000000  24.08300       3.714073  ?              ?        
1 1 1 -11 4   5  o 104.4971 38.06315 3.617812       3.321378  0.7112417      3.089137  30.56355       62.64288 
1 1 1 -11 4   6  o 219.1286 26.21365 9.907438       3.586092  11.71406       3.406077  -20.16727      54.61654 
1 1 1 -11 4   7  o 407.0601 18.05734 41.65936       4.782180  32.70574       4.345639  49.54028       36.43784 
1 1 1 -11 4   8  o 332.7681 21.00995 24.27375       4.364247  25.06754       4.266991  -5.784149      42.66061 
1 1 1 -11 4   9  o 302.3211 23.66257 21.69765       4.613764  19.48326       4.217396  15.82684       48.39188 
1 1 1 -11 4   10 o 650.7454 17.05176 96.46948       7.056667  91.71020       6.711076  16.00879       34.34946 
1 1 1 -11 4   11 o 94.23797 37.68153 1.572311       3.410975  0.9363582      3.260725  6.881775       62.14346 
1 1 1 -11 4   12 o 309.8856 21.88641 22.82639       4.343459  20.95617       4.033932  12.43286       44.99918 
1 1 1 -11 4   13 o 100.6055 39.58436 2.753972       3.722584  1.070140       3.530766  14.71313       64.68496 
1 1 1 -11 4   14 o 96.79367 39.01612 1.791713       3.656142  1.628323       3.554117  1.995209       63.41728 
1 1 1 -11 4   15 o 111.8670 41.15165 3.640517       3.745494  2.698617       3.761130  7.505524       66.65665 
1 1 1 -11 4   16 o 131.5371 41.20383 4.392509       3.660589  5.655089       3.819662  -11.40888      68.52307 
1 1 1 -11 4   17 o 106.7833 40.73446 2.450855       3.869924  3.667671       3.636777  -8.202164      65.04957 
1 1 1 -11 4   18 o 113.1065 41.17663 6.075562       3.897011  2.088317       3.605853  30.64722       65.68144 
1 1 1 -11 4   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 5   1  o 541.9517 16.15991 66.71732       5.596750  63.17561       5.271142  14.53296       32.48261 
1 1 1 -11 5   2  o 424.6958 17.20706 36.34027       4.522271  43.38530       4.525276  -38.12958      34.76988 
1 1 1 -11 5   3  o 753.3943 16.72669 131.8716       8.157626  119.4905       7.516039  36.81158       33.62375 
1 1 1 -11 5   4  o 132.7402 38.03197 2.840538       3.452977  5.112864       3.152129  -23.42252      64.71059 
1 1 1 -11 5   5  o 581.6708 16.59830 82.06004       6.296221  68.71834       5.712164  51.56641       33.35456 
1 1 1 -11 5   6  o 101.5266 38.49055 1.497853       3.535659  1.964730       3.162645  0.7205200E-01  63.60872 
1 1 1 -11 5   7  o 143.6208 37.47708 6.251050       3.555344  3.772063       3.217196  29.63263       65.68418 
1 1 1 -11 5   8  o 205.4707 30.46726 11.69075       4.043985  8.163436       3.538153  37.39763       61.83390 
1 1 1 -11 5   9  o 599.0721 18.41151 74.25332       6.867950  84.87516       6.800363  -40.91412      37.20218 
1 1 1 -11 5   10 o 140.9648 39.91955 2.356972       3.758591  6.934711       3.547044  -46.83234      66.75267 
1 1 1 -11 5   11 o 156.3729 38.01402 6.753034       3.794051  5.311709       3.523085  16.24326       68.44885 
1 1 1 -11 5   12 o 248.2028 24.68825 12.08023       3.894259  16.03829       3.622090  -40.44963      53.17957 
1 1 1 -11 5   13 o 265.6704 23.94566 16.39403       4.069268  16.36159       3.757282  -2.347961      50.40234 
1 1 1 -11 5   14 o 91.89683 38.26546 1.112605       3.689203  1.338432       3.539198  -0.2673721     62.31578 
1 1 1 -11 5   15 o 74.55247 34.20210 -1.855599      3.630877  0.1969640E-02  3.553649  -8.746315      57.12092 
1 1 1 -11 5   16 o 118.2487 41.29705 5.341654       3.784590  2.751287       3.671389  21.69921       66.77023 
1 1 1 -11 5   17 o 116.6222 41.30833 4.763719       3.767650  3.326513       3.709272  11.58550       66.47329 
1 1 1 -11 5   18 o 83.16833 36.83120 4.023340       3.796712  -2.233637      3.727396  33.74937       59.55188 
1 1 1 -11 5   19 o 123.7919 41.85666 7.029314       3.857631  3.320250       3.781667  29.15627       66.81573 
1 1 1 -11 6   1  o 753.4626 16.70289 124.4199       7.878214  125.9881       7.737175  -4.935913      33.57068 
1 1 1 -11 6   2  o 1167.911 20.49629 288.8081       14.53827  315.7127       15.18083  -52.22046      41.19070 
1 1 1 -11 6   3  o 226.4672 25.72635 14.09584       3.748401  9.467914       3.380309  46.72386       53.23947 
1 1 1 -11 6   4  o 199.9843 29.27361 8.150833       3.650848  9.962049       3.409498  -21.49483      59.86075 
1 1 1 -11 6   5  o 696.9562 16.88417 102.5564       7.242385  112.2321       7.358274  -31.64447      33.98025 
1 1 1 -11 6   6  o 453.3743 17.71028 49.15316       5.238727  42.63853       4.740896  31.94681       35.70445 
1 1 1 -11 6   7  o 255.2357 24.65385 14.52156       3.987529  14.83190       3.734619  -3.871490      51.04621 
1 1 1 -11 6   8  o 99.64549 39.23141 0.3738900      3.705487  2.317775       3.431355  -12.62183      64.59146 
1 1 1 -11 6   9  o 649.6395 18.37242 92.21611       7.493480  95.10758       7.302941  -10.64642      37.04689 
1 1 1 -11 6   10 o 388.4081 20.04247 32.91261       4.967652  34.51379       4.671312  -10.56320      40.83085 
1 1 1 -11 6   11 o 183.0285 35.46367 7.233234       4.052137  8.812985       3.729832  -18.85724      68.47940 
1 1 1 -11 6   12 o 84.09119 36.19091 0.9453236      3.545619  -0.3585836     3.295846  11.81805       60.17246 
1 1 1 -11 6   13 o 222.4549 28.62496 14.16830       4.019300  9.851062       3.715758  43.25743       60.58304 
1 1 1 -11 6   14 o 99.13265 38.49192 -1.067256      3.542182  4.833582       3.253410  -44.40951      60.91583 
1 1 1 -11 6   15 o 82.87440 36.02488 -0.2754452     3.624022  1.141464       3.300050  -5.769646      58.85845 
1 1 1 -11 6   16 o 105.8341 40.74698 5.328988       4.091081  1.267902       3.520151  31.46546       65.66187 
1 1 1 -11 6   17 o 267.9771 25.81796 22.93323       4.664756  14.34291       3.911455  65.01411       56.93805 
1 1 1 -11 6   18 o 72.69080 33.61471 -1.769991      3.667752  0.7645050      3.476607  -10.10581      54.83825 
1 1 1 -11 6   19 o 86.69552 37.45799 -0.9233944     3.761785  4.023676       3.612836  -26.52399      59.14283 
1 1 1 -11 7   1  o 640.9776 24.00397 91.29792       6.736886  0.000000       0.000000  ?              ?        
1 1 1 -11 7   2  o 209.6135 28.74211 10.01589       3.725233  9.944022       3.558406  0.2733612      58.99488 
1 1 1 -11 7   3  o 419.4061 17.82034 34.93144       4.561754  43.15596       4.692382  -44.86255      36.01283 
1 1 1 -11 7   4  o 576.8147 16.80405 68.12077       5.893645  79.42633       6.125567  -44.55005      33.80847 
1 1 1 -11 7   5  o 203.9464 29.70592 7.838448       3.750422  11.05752       3.553181  -36.92856      60.91357 
1 1 1 -11 7   6  o 319.1451 21.34794 25.68877       4.548572  20.58430       3.924218  35.08075       43.43600 
1 1 1 -11 7   7  o 334.0899 21.35319 19.99874       4.393842  29.89021       4.410471  -69.10303      44.45968 
1 1 1 -11 7   8  o 130.1177 40.89009 5.165141       3.886490  2.879930       3.499731  25.46809       68.75743 
1 1 1 -11 7   9  o 229.3529 29.13165 13.34227       4.262686  11.04157       3.868441  21.70433       60.50634 
1 1 1 -11 7   10 o 357.6428 20.82076 27.20836       4.734924  30.10933       4.474477  -19.93427      42.67886 
1 1 1 -11 7   11 o 222.3531 29.48287 11.25286       3.981650  11.93845       3.951442  -7.530411      61.71396 
1 1 1 -11 7   12 o 187.9059 34.07182 8.534540       4.048012  8.763623       3.635667  -5.223221      67.70141 
1 1 1 -11 7   13 o 87.19221 37.42645 1.036766       3.848300  0.2002024      3.449818  9.272987       61.69099 
1 1 1 -11 7   14 o 251.7789 26.83402 16.08319       4.250236  14.65064       4.013028  10.80237       57.94892 
1 1 1 -11 7   15 o 123.5894 48.85431 0.000000       0.000000  4.431637       3.918355  ?              ?        
1 1 1 -11 7   16 o 93.72003 38.46017 4.225838       3.800078  0.1317881      3.389264  29.79225       61.99479 
1 1 1 -11 7   17 o 103.1264 40.40067 4.238137       3.976149  2.013159       3.575362  16.24160       64.29182 
1 1 1 -11 7   18 o 80.61752 35.93748 1.386096       3.845325  0.3237353      3.466412  7.537384       57.54530 
1 1 1 -11 7   19 f 68.05734 32.26242 0.6236980      3.950386  -2.358990      3.407539  15.57796       53.41459 
1 1 1 -11 8   1  o 100.5706 38.92152 0.9388889      3.572582  2.077894       3.350159  -7.093338      64.24780 
1 1 1 -11 8   2  o 349.8808 20.31709 24.07375       4.461436  30.13921       4.323070  -40.53391      41.61061 
1 1 1 -11 8   3  o 609.8319 16.99556 79.31223       6.429746  85.16199       6.416281  -22.02197      34.19470 
1 1 1 -11 8   4  o 385.0444 19.30327 32.89380       4.652189  33.00488       4.541609  -0.9184265     39.02167 
1 1 1 -11 8   5  o 285.7371 22.88064 17.44049       4.120862  19.12162       3.929361  -14.47028      47.08516 
1 1 1 -11 8   6  o 108.8285 40.08038 -0.6689824     3.703326  4.802298       3.435941  -45.16560      64.26344 
1 1 1 -11 8   7  o 96.12269 39.36686 3.553529       3.960813  -1.214172      3.549354  41.01955       65.34059 
1 1 1 -11 8   8  o 316.3066 24.24260 20.89497       4.995224  23.81995       4.486502  -23.66531      50.59182 
1 1 1 -11 8   9  o 135.5164 41.23390 6.461990       4.023641  2.769802       3.568024  39.26062       69.34007 
1 1 1 -11 8   10 o 86.33480 37.62245 -2.734486      3.952084  2.122822       3.634349  -26.68739      62.44048 
1 1 1 -11 8   11 o 142.9879 44.02165 5.948957       3.759120  3.840981       5.125892  14.22731       74.09497 
1 1 1 -11 8   12 o 201.4993 31.98202 7.656400       3.929237  11.97063       3.802240  -49.15047      65.11208 
1 1 1 -11 8   13 o 148.7183 40.00751 10.07180       3.965313  2.581404       3.602724  75.24119       66.46108 
1 1 1 -11 8   14 o 73.56805 34.09036 -2.294076      3.795452  -0.2347170     3.608021  -7.960045      57.06230 
1 1 1 -11 8   15 o 92.57514 38.90795 0.5295729      3.960561  2.393250       3.634063  -9.451660      62.46269 
1 1 1 -11 8   16 o 191.4931 35.33654 9.025778       4.111681  11.22878       3.977506  -26.05376      70.94501 
1 1 1 -11 8   17 f 98.13207 40.08594 1.598391       3.976778  3.483462       3.759538  -10.93929      63.14001 
1 1 1 -11 8   18 o 162.3580 38.66423 4.751937       3.933490  11.38991       3.749093  -66.83726      66.59372 
1 1 1 -11 8   19 o 143.8095 42.30030 4.288137       4.265802  9.742940       3.820185  -48.40203      67.90553 
1 1 1 -11 9   1  o 117.2525 40.51220 2.936889       3.914826  2.879064       3.321357  5.809776       67.51543 
1 1 1 -11 9   2  o 739.4778 17.88576 113.0748       8.068097  129.5087       8.347937  -50.46985      36.03201 
1 1 1 -11 9   3  o 253.4894 26.17759 13.15778       4.166032  15.77204       3.956372  -25.38222      54.84424 
1 1 1 -11 9   4  o 209.2078 30.34380 8.946854       3.868295  11.15539       3.779452  -24.73190      62.20948 
1 1 1 -11 9   5  o 295.4389 32.40168 0.000000       0.000000  20.03558       4.130100  ?              ?        
1 1 1 -11 9   6  o 257.2592 27.63697 11.98149       4.394524  17.94046       4.290006  -55.71674      58.83265 
1 1 1 -11 9   7  o 458.9773 19.11445 47.35931       5.575790  46.39281       5.295493  4.175049       38.62963 
1 1 1 -11 9   8  o 192.7006 37.35480 7.078959       4.477963  10.37629       4.148892  -35.72104      71.47324 
1 1 1 -11 9   9  o 233.8565 28.82391 10.41557       4.179763  14.73629       4.011407  -45.02608      61.09364 
1 1 1 -11 9   10 o 353.7924 21.72629 23.66536       4.896806  32.52798       4.606781  -60.70355      45.89595 
1 1 1 -11 9   11 o 87.90424 40.52645 -1.707078      3.627330  0.000000       0.000000  ?              ?        
1 1 1 -11 9   12 o 69.68916 32.67403 -4.722486      3.655252  0.6232886      3.472587  -23.84979      55.96745 
1 1 1 -11 9   13 o 187.3489 34.69290 12.17502       4.116696  6.632566       3.685802  57.02611       67.68645 
1 1 1 -11 9   14 o 126.1641 42.32475 5.860476       4.163190  3.500175       3.689906  20.31701       69.47363 
1 1 1 -11 9   15 o 138.0554 41.85243 3.773465       4.024444  7.491474       3.776121  -34.12605      68.86859 
1 1 1 -11 9   16 o 73.93864 34.22890 -1.063288      3.924698  -0.1017406     3.535366  -1.250069      55.93050 
1 1 1 -11 9   17 o 134.7498 42.29188 3.368327       3.988330  8.543589       3.885055  -43.59038      67.94719 
1 1 1 -11 9   18 o 73.06907 33.86187 -0.5863373     3.788233  0.2786795      3.525651  -2.040253      54.46254 
1 1 1 -11 9   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 10  1  o 134.9568 41.27615 1.049483       3.911440  7.048070       3.654964  -57.17675      66.84290 
1 1 1 -11 10  2  o 356.9623 21.03172 26.07831       4.706556  30.68075       4.569369  -30.35330      42.98463 
1 1 1 -11 10  3  o 296.3331 24.16573 18.38229       4.590170  20.94312       4.238159  -21.69412      50.24880 
1 1 1 -11 10  4  o 273.3414 26.66882 15.42012       4.705809  18.16535       4.256874  -25.88727      56.36796 
1 1 1 -11 10  5  o 327.1548 23.98980 22.34925       4.830871  25.73890       4.838461  -24.20844      49.17070 
1 1 1 -11 10  6  f 208.3357 33.76449 11.93184       4.409554  8.581625       4.042921  34.62260       67.65100 
1 1 1 -11 10  7  o 201.4658 39.79624 3.716395       5.035022  14.74443       4.589795  -104.9723      70.89754 
1 1 1 -11 10  8  o 368.4176 22.09560 32.19041       5.224298  29.19241       4.849519  17.39203       45.07757 
1 1 1 -11 10  9  o 67.53596 32.09896 -2.927646      3.724271  -2.779309      3.596462  1.100899       55.84718 
1 1 1 -11 10  10 o 328.4209 27.44731 13.73444       7.301605  29.72700       4.642778  -145.7253      75.05846 
1 1 1 -11 10  11 o 84.24925 38.43628 -2.350706      3.873083  1.431775       5.408913  -32.94865      66.69050 
1 1 1 -11 10  12 o 108.2439 41.23392 2.679601       3.913894  2.766319       3.764433  0.1799927      66.80707 
1 1 1 -11 10  13 o 130.4243 42.38628 8.336266       4.223498  2.294535       3.684705  52.71544       69.15544 
1 1 1 -11 10  14 f 221.3865 29.97975 12.13290       4.194462  12.67239       3.850444  -11.56662      65.25468 
1 1 1 -11 10  15 o 76.27408 34.66279 -0.3249697     3.804531  0.1665241E-01  3.387151  1.697510       56.64276 
1 1 1 -11 10  16 o 100.0288 40.13097 -0.1442881     3.916745  5.727294       3.681789  -36.86228      62.50706 
1 1 1 -11 10  17 o 65.67117 31.47403 0.4508002      3.939109  -3.414961      3.457823  18.25374       52.90139 
1 1 1 -11 10  18 o 67.47380 32.16255 -2.455197      3.897101  -0.5513704E-03 3.578508  -6.671127      52.32166 
1 1 1 -11 10  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 11  1  o 260.1907 26.88457 17.22535       4.507479  13.82182       4.078249  29.05573       55.73461 
1 1 1 -11 11  2  o 120.6794 42.38088 2.902639       4.117402  3.243571       3.763119  -0.1047211     70.16397 
1 1 1 -11 11  3  o 104.5779 42.20189 2.549176       4.333515  0.2628723      4.118520  18.71169       69.75842 
1 1 1 -11 11  4  o 306.1759 25.92905 17.46680       4.935290  24.69284       4.823380  -56.41229      54.77744 
1 1 1 -11 11  5  o 208.5231 35.45041 15.46675       4.712605  6.063560       4.178566  94.62259       68.04894 
1 1 1 -11 11  6  o 62.62629 31.04362 -5.499272      4.877268  -8.515863      4.284395  16.93011       56.99490 
1 1 1 -11 11  7  o 120.5182 43.84848 2.886093       4.580698  3.235305       3.971375  1.731094       72.24425 
1 1 1 -11 11  8  o 175.2798 39.39653 0.8582085      4.279436  13.73203       4.085386  -124.0022      63.25943 
1 1 1 -11 11  9  o 214.2063 31.83441 12.73949       4.460610  9.670488       3.817361  28.12019       65.95348 
1 1 1 -11 11  10 f 102.7525 44.42978 0.000000       0.000000  0.8365051      3.671558  ?              ?        
1 1 1 -11 11  11 o 325.8661 29.27704 25.87113       5.103743  24.97650       7.080068  31.38730       68.86961 
1 1 1 -11 11  12 o 90.32103 38.36451 2.993676       3.967587  -0.4124092     3.558006  24.73854       62.72531 
1 1 1 -11 11  13 o 154.7947 41.17768 5.130008       4.227750  8.369458       3.844690  -33.21915      70.90787 
1 1 1 -11 11  14 o 111.6080 41.85846 5.586856       4.144497  2.019322       3.726108  26.73425       67.00342 
1 1 1 -11 11  15 o 123.9273 42.60360 4.656786       4.114510  5.362195       3.820516  -6.189323      68.20955 
1 1 1 -11 11  16 o 62.98039 30.47556 1.067242       3.840136  -5.063896      3.479421  25.19688       52.25651 
1 1 1 -11 11  17 o 116.5565 42.23504 8.759067       4.103257  1.928611       3.779874  46.15119       65.76534 
1 1 1 -11 11  18 o 86.52529 37.75296 1.566585       3.902944  2.680537       3.741770  -5.049316      58.27698 
1 1 1 -11 12  1  o 221.8013 33.74628 11.36717       4.527495  11.45291       4.466894  -1.119400      68.73887 
1 1 1 -11 12  2  o 105.8316 42.31274 3.592221       4.309324  -0.3817771     4.103359  31.29989       69.67615 
1 1 1 -11 12  3  o 144.7479 42.96201 9.722556       4.371023  1.172387       3.935472  84.12286       69.12724 
1 1 1 -11 12  4  o 339.2648 24.39505 27.62183       5.241724  24.46661       4.968694  20.67447       49.93682 
1 1 1 -11 12  5  o 181.5386 39.08944 8.552669       4.483545  7.493917       4.087210  10.68748       73.22354 
1 1 1 -11 12  6  o 114.8654 43.71796 -0.5332326E-01 4.496585  4.751793       4.146361  -33.17721      70.72189 
1 1 1 -11 12  7  o 190.6652 39.46164 7.231375       4.683453  10.48707       4.360535  -34.51503      74.27589 
1 1 1 -11 12  8  o 378.0215 22.90206 31.73130       5.472026  33.44267       5.226833  -12.12125      47.22444 
1 1 1 -11 12  9  o 189.1027 37.88205 6.384119       4.508456  11.23117       4.098261  -52.58890      71.33465 
1 1 1 -11 12  10 o 132.8872 49.03614 0.000000       0.000000  4.704093       3.773291  ?              ?        
1 1 1 -11 12  11 o 91.09662 38.93282 -1.702237      3.957902  3.502730       3.844272  -30.96992      63.20002 
1 1 1 -11 12  12 o 153.7799 40.60796 6.748763       4.101094  6.848076       3.779290  -2.951370      71.30421 
1 1 1 -11 12  13 o 83.57854 37.27668 -5.370239      4.182522  4.831190       3.706234  -49.47564      60.32859 
1 1 1 -11 12  14 o 99.92310 40.56973 2.565890       4.263278  2.776622       3.662241  0.5274048      64.17214 
1 1 1 -11 12  15 o 87.42159 38.27215 -1.094594      4.133355  3.784331       3.796856  -23.05360      60.30697 
1 1 1 -11 12  16 o 175.2948 40.50500 10.21803       4.482595  9.674093       4.166714  -0.2742157     74.64296 
1 1 1 -11 12  17 o 85.04413 37.69705 1.912326       4.277197  1.959231       3.687255  1.103546       58.27364 
1 1 1 -11 12  18 o 84.03344 36.97115 4.511944       3.978203  0.2634807      3.525822  20.67867       57.45733 
1 1 1 -11 13  1  o 223.1899 36.01517 15.49070       5.153795  8.826751       4.537928  63.63106       71.85711 
1 1 1 -11 13  2  o 350.7909 24.74470 27.30199       5.361639  28.33733       5.338370  -7.015442      50.71791 
1 1 1 -11 13  3  o 305.1069 26.63901 21.82243       5.052460  20.67289       4.932305  8.308411       55.18129 
1 1 1 -11 13  4  f 421.4352 22.33311 36.68119       5.745717  43.60679       5.892225  -37.62833      45.62061 
1 1 1 -11 13  5  o 184.2169 38.68022 6.560277       4.367730  9.956590       4.195771  -36.32581      72.26748 
1 1 1 -11 13  6  o 273.8683 27.38229 18.12369       4.834978  16.80636       4.378093  8.181946       57.68193 
1 1 1 -11 13  7  o 144.2233 43.34296 3.855435       4.511036  6.495551       3.928521  -23.08115      72.73779 
1 1 1 -11 13  8  o 103.9371 41.86415 1.968329       4.518371  1.862768       3.852780  5.797211       68.41196 
1 1 1 -11 13  9  o 211.4666 35.90998 11.17848       4.746967  11.44823       4.361951  -6.704758      73.41408 
1 1 1 -11 13  10 o 92.41331 40.69181 -7.736382      5.850182  4.038179       3.827033  -36.39638      64.82353 
1 1 1 -11 13  11 o 67.64571 32.37910 1.120890       4.212006  -5.121315      3.587435  31.84558       56.76114 
1 1 1 -11 13  12 o 138.7225 44.02209 7.458692       4.539432  4.728775       4.015419  20.98841       72.74566 
1 1 1 -11 13  13 o 93.18367 39.79133 2.321293       4.284937  1.338556       3.880280  7.277916       63.38103 
1 1 1 -11 13  14 o 187.8322 39.03703 9.989848       4.659920  11.22526       4.178883  -20.34152      75.10390 
1 1 1 -11 13  15 o 103.3596 41.32021 0.9296503      4.222806  5.998887       3.821749  -29.63621      63.39649 
1 1 1 -11 13  16 o 69.05877 32.98196 1.533998       4.393543  -2.902615      3.633650  19.73278       54.51548 
1 1 1 -11 13  17 o 103.6838 45.09886 0.000000       0.000000  5.217159       3.828999  ?              ?        
1 1 1 -11 13  18 o 79.01965 35.98082 4.519733       4.125277  -0.6275092     3.671477  21.34013       56.01172 
1 1 1 -11 14  1  o 84.35873 38.08750 2.638963       4.404732  -4.315561      4.084792  42.26854       65.08252 
1 1 1 -11 14  2  f 134.0280 43.07089 3.975613       4.215075  4.698514       3.923791  -5.290573      71.95412 
1 1 1 -11 14  3  f 100.8824 42.37931 3.950462       4.782682  -1.410809      4.244087  39.10565       70.32285 
1 1 1 -11 14  4  o 215.5954 48.94563 0.000000       0.000000  12.15033       4.522497  ?              ?        
1 1 1 -11 14  5  o 209.8361 37.02365 5.956938       4.734955  15.38966       4.556405  -94.31726      70.43192 
1 1 1 -11 14  6  o 298.4186 26.58665 21.12045       5.062882  20.56870       4.697814  1.267151       56.12623 
1 1 1 -11 14  7  o 136.7115 44.62156 6.123557       4.560072  4.020875       4.165256  18.68733       73.98860 
1 1 1 -11 14  8  o 83.54921 37.37845 -2.945711      4.340143  1.645981       3.691227  -17.80338      61.60831 
1 1 1 -11 14  9  o 103.3221 41.48857 3.600936       4.293566  1.203927       3.858388  18.67945       67.15711 
1 1 1 -11 14  10 o 137.2372 44.45314 0.3327594      4.598120  9.979166       4.088558  -75.79021      68.12938 
1 1 1 -11 14  11 o 75.15495 35.23238 -0.4980803     4.398245  -1.965477      3.918477  10.02751       58.63061 
1 1 1 -11 14  12 o 65.96797 32.00917 -3.666443      4.390123  -2.675700      3.851552  1.632736       54.19825 
1 1 1 -11 14  13 o 88.56918 39.03711 3.095166       4.506205  0.1811664      3.912152  16.52946       62.25728 
1 1 1 -11 14  14 o 115.7078 43.50776 4.917090       4.450319  5.048248       4.055829  -1.899460      67.27762 
1 1 1 -11 14  15 o 57.35940 28.42905 -6.864949      4.000008  -1.457133      3.649741  -11.44857      48.27305 
1 1 1 -11 14  16 o 72.77863 34.20870 2.270591       4.318982  -1.317250      3.654598  15.28688       54.55590 
1 1 1 -11 14  17 o 86.84985 38.18685 1.490067       4.184791  3.753985       3.794649  -9.529930      57.66801 
1 1 1 -11 15  1  o 102.4521 41.70559 -1.806338      4.224279  4.735425       4.107346  -43.86028      67.44869 
1 1 1 -11 15  2  o 298.9247 27.12836 16.99985       4.990009  24.61267       4.961444  -61.84833      58.59680 
1 1 1 -11 15  3  o 168.9617 52.48096 0.000000       0.000000  7.916255       4.297185  ?              ?        
1 1 1 -11 15  4  o 108.3776 42.73641 1.597474       4.508895  2.858984       3.998954  -5.168633      69.46217 
1 1 1 -11 15  5  o 97.99377 41.69355 4.159495       4.993719  -0.9933434     4.033150  38.32657       69.49669 
1 1 1 -11 15  6  o 80.02628 36.86494 -0.5823886     4.471098  -1.845867      4.028763  10.41341       62.03233 
1 1 1 -11 15  7  o 76.12141 35.68613 -3.751127      4.467201  -0.3761555     4.053392  -10.13712      60.09717 
1 1 1 -11 15  8  o 192.8634 39.74306 13.68474       4.982867  7.545839       4.288049  53.95934       75.67578 
1 1 1 -11 15  9  o 105.9782 42.95955 -1.437057      4.635777  6.356738       4.191775  -44.89591      67.25520 
1 1 1 -11 15  10 o 163.7550 45.11258 8.462045       5.153074  8.337171       4.394044  -4.774902      77.66431 
1 1 1 -11 15  11 o 115.9908 43.70418 8.246143       4.589248  1.105741       4.030193  48.81738       69.39272 
1 1 1 -11 15  12 o 94.45744 40.55949 6.477336       4.631898  -0.9526514     3.980388  40.79593       65.03823 
1 1 1 -11 15  13 o 85.03094 38.32384 1.419998       4.568642  1.130835       4.017853  3.232109       60.23782 
1 1 1 -11 15  14 o 81.06038 36.79420 1.144128       4.245260  1.181902       3.821136  1.318695       57.54243 
1 1 1 -11 15  15 f 73.41727 34.51295 0.7208198      4.293147  -0.4422849     3.789783  6.241913       54.69322 
1 1 1 -11 15  16 o 66.86476 32.27170 -0.1060107     4.276628  -1.518800      3.811586  6.192154       51.46267 
1 1 1 -11 15  17 o 74.89743 35.19205 2.478712       4.463406  0.2175192      3.926134  7.989899       53.92263 
1 1 1 -11 16  1  o 89.12140 39.35253 -0.2174358     4.460733  0.1998908      4.091286  1.227318       65.06315 
1 1 1 -11 16  2  o 134.2989 44.56375 5.135041       4.538776  4.526955       4.149982  5.947830       73.63811 
1 1 1 -11 16  3  o 106.3279 42.77548 2.030374       4.472672  2.368563       4.187181  -0.3656769     69.28766 
1 1 1 -11 16  4  o 73.51759 34.80056 -1.937356      4.526319  -2.842040      3.962688  9.714676       59.48389 
1 1 1 -11 16  5  o 129.0753 44.02562 8.114593       4.643148  2.113250       3.904383  50.34811       71.95425 
1 1 1 -11 16  6  o 114.4447 43.72550 2.974840       4.803599  3.728446       3.962591  -2.160164      70.23502 
1 1 1 -11 16  7  o 119.1124 44.78389 -0.7344034E-01 4.815462  7.371103       4.225181  -47.88343      69.60612 
1 1 1 -11 16  8  o 123.1706 45.85107 4.050766       5.060232  5.310973       4.381159  -7.967545      72.48042 
1 1 1 -11 16  9  o 95.74927 41.39871 1.402513       4.808890  1.983560       4.256401  -0.3713455     65.84251 
1 1 1 -11 16  10 o 83.49592 38.31978 -3.110317      4.787446  2.583464       4.283332  -20.11306      61.74512 
1 1 1 -11 16  11 o 64.12452 31.56910 -4.775042      4.879579  -3.424921      4.087418  2.521515       53.25336 
1 1 1 -11 16  12 o 97.61343 41.57483 3.011256       4.832181  3.092467       4.098042  0.4037628      64.03215 
1 1 1 -11 16  13 o 106.2456 42.82086 6.522572       4.708495  3.064570       4.047438  16.51532       65.35557 
1 1 1 -11 16  14 o 72.63285 35.33665 1.614158       7.177055  -2.440526      4.148427  18.08350       57.98973 
1 1 1 -11 16  15 o 77.10964 37.74310 2.155111       6.756574  -1.229005      5.530010  7.834770       57.72648 
1 1 1 -11 16  16 o 72.73426 35.88131 -0.3432488     6.281030  -0.7248344     5.454825  2.132187       54.88522 
1 1 1 -11 17  1  o 123.1191 50.37915 3.504737       6.351729  4.249548       5.903727  -2.414352      79.71920 
1 1 1 -11 17  2  o 137.9943 52.26739 5.844620       6.334575  5.917939       5.969001  -0.2048187     82.64966 
1 1 1 -11 17  3  o 111.5814 47.43700 5.046324       6.211180  0.9510769      5.355618  22.25603       75.91593 
1 1 1 -11 17  4  f 191.5316 51.65137 8.542377       6.417460  14.85436       6.143788  -48.02118      87.66088 
1 1 1 -11 17  5  o 87.96019 41.27922 -1.087023      5.985058  -1.190411      5.461986  3.360809       67.28431 
1 1 1 -11 17  6  o 72.21161 35.61297 -6.206423      5.990332  -5.049586      5.488833  0.8721008      60.37640 
1 1 1 -11 17  7  o 150.4107 54.70000 16.95757       7.307009  2.866566       6.069522  70.41493       85.98721 
1 1 1 -11 17  8  o 88.40730 42.06175 -6.940990      6.543409  3.698941       6.108132  -27.29004      68.30688 
1 1 1 -11 17  9  o 180.4871 57.27720 14.83202       7.760646  12.87070       6.746245  0.8068390      90.00377 
1 1 1 -11 17  10 o 98.31370 44.95497 1.022735       6.472039  3.693449       5.849611  -7.075806      68.79900 
1 1 1 -11 17  11 o 110.7656 48.99348 2.754735       7.007458  8.184957       6.318801  -16.86144      72.06459 
1 1 1 -11 17  12 o 70.98527 35.43278 -2.213554      6.880497  -6.053922      5.946353  9.299065       57.21317 
1 1 1 -11 17  13 o 102.5604 46.37342 0.4671304      6.499689  9.705155       6.129084  -25.71149      68.06801 
1 1 1 -11 17  14 o 73.64590 36.44413 -8.313866      6.363900  5.310447       6.003805  -21.55751      57.14477 
1 1 1 -11 17  15 o 78.88452 37.96912 0.2025558      5.075367  3.729123       6.000931  -8.086456      57.01539 
1 1 1 -11 17  16 o 74.91354 38.16752 -0.9677725     7.021094  0.000000       0.000000  ?              ?        
1 1 1 -11 18  1  o 100.0616 46.00152 -2.635107      6.707191  2.908113       6.392814  -16.93247      73.80180 
1 1 1 -11 18  2  f 96.70689 45.41921 0.7382979      7.140865  -2.201218      6.737968  10.21706       73.28644 
1 1 1 -11 18  3  o 102.8463 47.08298 8.880329       7.068430  -5.664575      6.485787  51.31784       76.86073 
1 1 1 -11 18  4  o 96.79205 45.16776 5.484188       7.666619  -3.513023      5.985199  33.35526       74.33541 
1 1 1 -11 18  5  o 91.93715 43.38597 4.055186       7.364532  -3.823856      5.823777  28.86450       71.45764 
1 1 1 -11 18  6  o 88.11597 42.03865 -0.9513251     7.119284  -1.616607      5.858133  7.085640       67.79937 
1 1 1 -11 18  7  o 100.1161 45.56410 2.291539       6.950549  2.045191       5.664928  3.562729       70.74263 
1 1 1 -11 18  8  o 81.32142 39.37183 -4.983659      7.122748  -0.8577168E-01 5.429939  -4.080963      63.01180 
1 1 1 -11 18  9  o 90.08675 42.50330 4.789949       7.050409  -1.295116      5.588683  18.45359       66.68800 
1 1 1 -11 18  10 o 70.15139 34.94027 -4.812775      6.925972  -4.316926      5.432782  5.204216       56.81491 
1 1 1 -11 18  11 o 89.43476 42.34771 -1.734831      7.201463  4.758924       5.600938  -12.65623      63.53335 
1 1 1 -11 18  12 o 79.30459 38.49603 2.567501       6.802900  -1.591144      5.336634  11.15816       59.77997 
1 1 1 -11 18  13 o 85.93060 41.33556 8.063994       7.854441  0.8218302      5.631452  11.91404       61.08344 
1 1 1 -11 18  14 o 83.22700 40.40212 5.995352       7.571577  1.390571       5.844485  7.069458       59.11121 
1 1 1 -11 18  15 f 87.93752 42.48256 10.84659       7.844837  3.275739       6.401280  8.791985       59.55730 
1 1 1 -11 19  1  o 76.66214 36.29578 -1.703758      4.795636  -1.441706      4.409881  1.835518       59.77424 
1 1 1 -11 19  2  o 93.50887 41.12884 5.117848       4.864595  -1.423237      4.400638  33.19673       66.18421 
1 1 1 -11 19  3  o 70.37304 34.07660 -1.196530      4.772405  -4.312233      4.407982  12.36053       57.21072 
1 1 1 -11 19  4  o 101.2932 42.37537 1.100143       4.601578  4.461338       4.330757  -17.05633      66.14024 
1 1 1 -11 19  5  o 89.82333 40.11108 -0.4193779E-01 4.691623  2.737144       4.432824  -10.96558      63.15552 
1 1 1 -11 19  6  o 91.78749 40.46881 -0.3041345     4.824337  3.709677       4.222298  -15.74960      63.02245 
1 1 1 -11 19  7  o 90.66370 39.92563 1.057591       4.750224  2.881051       4.054565  -6.215256      61.88206 
1 1 1 -11 19  8  o 73.17399 34.83662 -1.702304      4.570533  0.1535911      4.151052  -3.825089      55.65963 
1 1 1 -11 19  9  f 84.43897 38.85069 0.2816489      5.025278  2.668648       4.399034  -6.702179      59.64509 
1 1 1 -11 19  10 o 72.76605 34.89436 -3.527445      5.130311  1.320974       4.103044  -9.163147      55.11200 
1 1 1 -11 19  11 o 66.52293 32.61341 -1.083515      5.174646  -2.366317      4.143563  7.253784       52.38146 
1 1 1 -11 19  12 o 73.15422 35.73501 3.577622       4.966980  -4.740858      5.825099  14.53922       54.84186 
1 1 1 -11 19  13 o 71.46035 34.30531 -0.5484341     4.896801  1.436563       4.039112  -3.231697      52.34506 
1 1 1 -11 19  14 o 61.44014 30.50158 -0.3537130     4.871727  -2.761866      4.134841  6.829460       48.03499 
1 1 1 -11 20  1  o 121.6312 46.63877 3.546311       4.973185  7.596600       4.887713  -22.70106      71.62823 
1 1 1 -11 20  2  o 93.62679 41.20408 -0.7183689     4.730771  4.877641       4.550849  -24.05778      64.27790 
1 1 1 -11 20  3  o 80.71622 37.63802 -0.7063440     4.780146  0.8449023      4.473139  -4.058807      59.75917 
1 1 1 -11 20  4  o 78.07964 36.61909 1.893918       4.636353  -1.827387      4.334651  14.38432       58.64864 
1 1 1 -11 20  5  o 77.94759 36.46050 -1.185365      4.440446  1.436302       4.341225  -8.760727      57.76223 
1 1 1 -11 20  6  o 93.70332 40.92633 -0.1713842     4.526816  5.951914       4.471264  -26.42949      62.82166 
1 1 1 -11 20  7  o 74.93999 35.45366 -2.919163      4.449184  2.503450       4.284428  -16.98040      56.36880 
1 1 1 -11 20  8  o 79.67212 36.92952 0.4263045      4.614036  1.464058       4.117313  -2.141991      57.31321 
1 1 1 -11 20  9  o 82.09763 37.69469 0.2772533      4.669727  3.012563       4.129718  -8.516472      57.46749 
1 1 1 -11 20  10 o 66.86192 32.80405 -0.3036678     5.081661  -2.088311      4.319792  6.450485       51.80023 
1 1 1 -11 20  11 o 77.23058 36.84614 5.386933       5.867470  -0.4318411     4.313600  14.82687       56.29560 
1 1 1 -11 20  12 o 72.77604 36.59920 -0.4786871     5.246676  0.000000       0.000000  ?              ?        
1 1 1 -11 20  13 o 79.20125 39.79568 0.000000       0.000000  4.714130       6.133699  ?              ?        
1 1 1 -11 21  1  o 79.57568 37.23656 1.795337       4.361200  -2.088719      4.850280  11.09119       59.08813 
1 1 1 -11 21  2  o 94.48230 41.49160 2.708831       4.767791  2.664720       4.597054  0.4357834      63.71811 
1 1 1 -11 21  3  o 80.41250 37.47853 0.4113024      4.541358  0.5635113      4.601692  -0.7495956     58.90559 
1 1 1 -11 21  4  o 92.90028 43.84677 0.000000       0.000000  2.448554       4.668682  ?              ?        
1 1 1 -11 21  5  o 67.99929 33.15273 4.206563       4.915719  -6.575173      4.234573  33.08119       56.14999 
1 1 1 -11 21  6  o 104.7380 43.72150 2.201498       4.820145  7.777670       4.649526  -24.53371      64.83801 
1 1 1 -11 21  7  o 60.53252 30.10229 -6.105014      4.468393  -0.8297384     4.365350  -10.63388      49.35943 
1 1 1 -11 21  8  o 64.58249 31.86753 -0.8156324     4.781011  -3.100490      4.444867  6.182968       50.78601 
1 1 1 -11 21  9  o 75.48347 35.75840 0.2070480      4.621222  2.184358       4.329140  -5.031418      54.25133 
1 1 1 -11 21  10 f 67.45374 32.97872 -2.443827      5.015706  1.007426       4.242754  -5.395355      50.89938 
1 1 1 -11 21  11 o 65.87086 32.72092 -6.674128      7.167305  1.039344       4.240103  -4.742683      50.04655 
1 1 1 -11 22  1  o 73.82019 35.68987 1.614047       4.716184  -4.290743      5.279141  12.72086       56.65182 
1 1 1 -11 22  2  o 75.83049 36.41322 2.115605       4.717531  -3.277058      5.273656  12.16142       57.11109 
1 1 1 -11 22  3  o 100.9990 43.25460 4.889776       4.745142  4.370814       4.923647  2.383354       63.96302 
1 1 1 -11 22  4  o 88.00790 40.16351 5.239421       4.964008  0.6129364      4.776387  15.10390       60.52399 
1 1 1 -11 22  5  o 100.4757 43.43903 5.158892       5.112821  5.132483       4.823706  -0.6216202     63.23241 
1 1 1 -11 22  6  o 76.53019 36.21732 4.394127       4.728355  -1.644263      4.410730  17.85463       55.90401 
1 1 1 -11 22  7  o 71.19172 34.34984 -2.211167      4.655076  2.539778       4.453261  -11.30187      52.98252 
1 1 1 -11 22  8  o 63.77258 31.50530 -1.328234      4.707037  -1.620844      4.401471  1.557213       49.33288 
1 1 1 -11 22  9  o 81.74899 39.06927 10.59157       7.889759  1.517495       4.552713  11.73570       57.19901 
1 1 1 -11 23  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 23  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 23  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -11 23  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 -23 1  o 94.22324 46.85631 -10.26158      10.87876  -7.122221      10.52847  -3.060623      76.67481 
1 1 1 -10 -22 1  f 118.9258 56.02569 -1.429998      11.55337  2.579333       9.993426  -4.684723      87.56741 
1 1 1 -10 -22 2  o 135.1659 60.21754 -2.453810      10.23617  13.50776       10.17873  -43.03705      93.00383 
1 1 1 -10 -22 3  o 122.4608 53.91674 6.163063       8.554876  1.850380       7.457049  16.39893       84.39388 
1 1 1 -10 -21 1  o 157.2142 64.64108 5.432189       10.32008  12.14201       9.949859  -22.86533      98.87732 
1 1 1 -10 -21 2  o 117.8552 52.69334 4.861224       8.253710  -0.6112077     7.569456  20.89289       84.23581 
1 1 1 -10 -21 3  o 146.9448 57.84406 5.048909       8.255171  9.031446       7.309428  -17.45895      89.59631 
1 1 1 -10 -21 4  o 112.3572 50.91697 -2.149182      8.128381  4.328718       7.253118  -17.35851      80.67407 
1 1 1 -10 -20 1  o 152.7512 57.41275 1.340015       7.186015  13.19139       7.591718  -63.17461      90.75349 
1 1 1 -10 -20 2  o 161.2598 58.15374 10.22445       7.387533  6.392166       7.498988  20.65340       92.29767 
1 1 1 -10 -20 3  o 142.9478 55.93780 8.120688       7.040118  3.658484       7.373406  21.36639       88.13303 
1 1 1 -10 -20 4  o 99.55055 46.74460 -8.022718      7.220592  5.198375       7.453204  -41.03589      77.77269 
1 1 1 -10 -20 5  o 206.7344 57.50421 12.98956       7.336317  15.09678       7.989378  -8.984406      98.30642 
1 1 1 -10 -19 1  o 100.6882 46.87048 0.6229461      6.935313  -5.574767      7.307916  18.07000       78.22108 
1 1 1 -10 -19 2  o 129.8736 54.54602 3.371813       7.897508  3.360527       7.044374  3.401993       87.36281 
1 1 1 -10 -19 3  o 101.7314 47.17675 -1.588003      7.358865  -1.355512      6.871647  2.238762       77.67733 
1 1 1 -10 -19 4  o 113.4065 49.74673 5.927496       6.602108  -3.034701      6.824912  35.79366       80.09836 
1 1 1 -10 -19 5  o 144.9294 55.51036 6.875833       6.843990  5.739285       7.121387  5.587601       87.76688 
1 1 1 -10 -19 6  o 151.6598 56.80006 7.074565       7.135756  7.658938       7.287076  -2.996811      89.65538 
1 1 1 -10 -19 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 -18 1  o 129.4098 57.06561 2.327019       13.68326  1.232404       7.125828  30.23912       97.01147 
1 1 1 -10 -18 2  o 182.3608 74.61862 1.183629       13.39470  19.67867       13.43654  -58.99712      116.2291 
1 1 1 -10 -18 3  f 168.6650 55.18334 5.165893       6.693510  10.99396       6.607298  -38.85693      89.99535 
1 1 1 -10 -18 4  o 151.9513 57.30812 10.90379       7.778881  3.079141       7.015279  42.73196       91.73024 
1 1 1 -10 -18 5  o 158.1716 56.44680 5.941178       7.107172  9.205523       6.882318  -18.72786      90.26045 
1 1 1 -10 -18 6  f 97.51995 44.61993 -5.201936      5.996784  3.893588       6.122435  -36.45398      74.08875 
1 1 1 -10 -18 7  o 104.1108 46.43154 5.656170       6.482499  -3.238701      5.753337  41.70151       76.51810 
1 1 1 -10 -18 8  o 161.3983 67.74356 10.04574       8.100677  0.000000       0.000000  ?              ?        
1 1 1 -10 -17 1  o 176.2460 53.42894 5.772731       6.214125  10.65017       6.488233  -37.11346      89.66776 
1 1 1 -10 -17 2  o 174.8082 54.40304 13.28530       6.567556  3.325665       6.487021  71.21851       88.32787 
1 1 1 -10 -17 3  o 142.3817 58.78613 -4.621223      13.45547  6.375070       6.643167  -10.18248      95.12773 
1 1 1 -10 -17 4  o 163.2730 71.25498 17.83362       13.70467  -5.242479      13.52414  63.84392       112.7267 
1 1 1 -10 -17 5  o 87.63833 41.75196 -2.703219      6.407372  -4.886037      6.130849  9.289619       70.98135 
1 1 1 -10 -17 6  o 200.1582 58.43907 13.45615       7.823428  11.42719       7.593844  12.20181       98.62959 
1 1 1 -10 -17 7  o 174.2336 59.09628 3.784754       7.735548  15.02921       7.496567  -64.77451      93.43746 
1 1 1 -10 -17 8  o 98.06936 45.75520 -5.115424      6.444883  2.891968       7.321510  -31.60995      76.55832 
1 1 1 -10 -17 9  o 119.6501 51.67826 6.030446       6.711298  -1.141295      7.350661  26.51633       81.87939 
1 1 1 -10 -16 1  o 303.2549 36.20057 20.83623       6.633690  22.27838       6.718212  -10.90097      76.39976 
1 1 1 -10 -16 2  o 483.2099 25.95941 52.34986       7.726175  53.82496       7.779384  -6.887543      53.14491 
1 1 1 -10 -16 3  o 226.7559 46.96847 12.57787       6.303111  13.59623       6.478802  -8.029434      89.64059 
1 1 1 -10 -16 4  o 129.4650 52.41914 4.910264       6.514622  1.553385       6.561619  17.51512       84.73602 
1 1 1 -10 -16 5  o 128.3536 56.03099 -10.26551      10.76057  6.951394       7.150985  -38.84213      89.21658 
1 1 1 -10 -16 6  o 123.3725 60.73843 -11.57377      11.60041  0.000000       0.000000  ?              ?        
1 1 1 -10 -16 7  o 105.4338 48.17879 1.598300       6.682755  -3.399893      7.446677  12.86127       78.81432 
1 1 1 -10 -16 8  o 165.3363 58.84663 6.549968       7.492494  10.46857       7.700409  -21.52852      94.17248 
1 1 1 -10 -16 9  o 172.5096 59.17576 9.674895       7.567727  9.717999       7.709234  0.1727295E-01  94.96089 
1 1 1 -10 -16 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 -15 1  o 210.6580 48.77838 8.149596       6.285800  13.49741       6.211690  -46.05344      88.04343 
1 1 1 -10 -15 2  o 125.8037 50.91379 3.330924       6.368209  1.287052       5.979576  14.80370       83.74667 
1 1 1 -10 -15 3  o 193.8720 51.27018 9.151284       6.409788  9.977414       6.119057  -6.823242      90.07221 
1 1 1 -10 -15 4  o 218.7911 48.67328 10.64934       6.193813  14.05210       6.707845  -27.26840      90.46847 
1 1 1 -10 -15 5  o 159.6852 52.75056 5.400629       5.616145  8.715409       6.657678  -25.38367      87.67431 
1 1 1 -10 -15 6  f 208.2275 48.98533 13.16438       6.080329  9.631096       6.371541  30.93346       88.95414 
1 1 1 -10 -15 7  o 213.2450 73.66093 12.22290       11.18684  20.19253       12.62502  -31.17439      117.6007 
1 1 1 -10 -15 8  o 263.4762 85.26442 28.83506       11.24235  0.000000       0.000000  ?              ?        
1 1 1 -10 -15 9  o 162.9533 52.71564 7.531373       5.898677  8.020591       6.274051  -3.127960      86.89665 
1 1 1 -10 -15 10 o 148.3087 52.89073 13.27173       6.625065  1.418925       5.744277  75.57681       84.42769 
1 1 1 -10 -15 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 -14 1  o 338.5479 50.37807 0.000000       0.000000  27.18481       7.253471  ?              ?        
1 1 1 -10 -14 2  o 274.0476 39.84739 18.43688       6.900730  16.83828       6.292542  10.86188       82.24666 
1 1 1 -10 -14 3  o 123.5881 50.80068 5.473720       6.528469  -1.309388      6.011688  42.50006       83.81474 
1 1 1 -10 -14 4  f 321.1653 34.68770 25.06104       6.825516  23.07335       6.777065  14.61731       73.24856 
1 1 1 -10 -14 5  o 150.2706 51.28149 2.802355       5.418322  8.991831       6.112205  -48.14124      84.27521 
1 1 1 -10 -14 6  f 190.6847 47.72417 2.859698       5.377075  17.61664       5.925064  -123.1931      77.69233 
1 1 1 -10 -14 7  o 158.8626 57.29552 0.000000       0.000000  6.691842       5.108721  ?              ?        
1 1 1 -10 -14 8  o 213.4508 52.74318 13.54833       5.409260  8.733004       11.69045  43.73622       95.40556 
1 1 1 -10 -14 9  o 131.7027 60.00173 0.6738483      10.02108  2.629611       11.80568  -10.58162      95.87135 
1 1 1 -10 -14 10 o 185.6828 70.50626 15.04982       10.49397  9.432957       12.06144  22.98914       108.6547 
1 1 1 -10 -14 11 o 140.0459 57.70485 0.000000       0.000000  5.403377       5.724139  ?              ?        
1 1 1 -10 -13 1  o 156.7264 52.45152 5.948791       6.091723  5.024591       5.908271  8.032166       87.32030 
1 1 1 -10 -13 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 -13 3  f 298.3098 34.37820 21.85643       6.552155  19.20958       5.978050  18.55774       71.77311 
1 1 1 -10 -13 4  o 401.0126 26.95899 40.25755       6.749739  32.54724       6.587724  44.38739       55.40358 
1 1 1 -10 -13 5  o 483.2000 23.29080 56.90793       6.913914  48.01857       7.008248  43.13007       47.63370 
1 1 1 -10 -13 6  o 289.7419 31.11249 17.42761       5.336985  21.91622       5.688724  -34.84399      65.60575 
1 1 1 -10 -13 7  f 114.4768 46.71537 -0.1818146     5.312617  4.202184       5.171631  -25.22722      75.96973 
1 1 1 -10 -13 8  o 93.19611 41.47846 2.682935       4.782259  -3.668128      4.880509  31.70633       69.10050 
1 1 1 -10 -13 9  o 166.1721 54.12605 9.630116       11.18144  7.448283       4.949931  13.97643       95.38634 
1 1 1 -10 -13 10 o 91.61942 41.07437 2.931809       4.948181  -3.281218      4.717842  32.54893       68.42702 
1 1 1 -10 -13 11 o 135.9982 61.93401 -4.381485      11.19799  10.92563       11.82119  -39.63045      98.32507 
1 1 1 -10 -13 12 o 123.8189 52.31797 3.054929       5.422311  4.464266       11.23235  -21.56796      87.32747 
1 1 1 -10 -12 1  o 460.4878 20.80502 48.65651       5.903211  45.41534       5.952309  16.30719       42.01786 
1 1 1 -10 -12 2  o 338.6423 26.60488 29.60428       5.613621  21.91149       5.476820  52.81357       54.93837 
1 1 1 -10 -12 3  o 488.2503 23.21140 52.80167       6.940574  53.25274       7.081440  -1.848846      46.91221 
1 1 1 -10 -12 4  o 289.4400 29.94997 19.24214       5.159489  18.76368       5.452188  5.106964       62.31247 
1 1 1 -10 -12 5  o 561.2634 28.49368 71.17987       6.991868  0.000000       0.000000  ?              ?        
1 1 1 -10 -12 6  o 394.8262 23.84665 32.66082       5.697242  37.85264       5.936682  -29.69592      48.69797 
1 1 1 -10 -12 7  o 189.4199 41.99870 9.314261       4.754078  8.424744       4.858406  9.081207       77.98318 
1 1 1 -10 -12 8  f 98.10789 41.61114 -0.6800287     4.264975  2.439094       4.539943  -21.85156      68.74063 
1 1 1 -10 -12 9  o 169.9535 43.84742 4.826762       4.570863  10.32540       4.740245  -52.07039      75.99571 
1 1 1 -10 -12 10 o 85.11894 38.95361 -0.7804068     4.549387  -1.753949      4.695234  3.078445       65.30127 
1 1 1 -10 -12 11 o 142.5020 47.73937 6.977976       4.952105  4.088935       4.985006  22.16396       78.13104 
1 1 1 -10 -12 12 o 95.53239 44.34928 2.557647       10.70976  -2.305019      4.900926  45.07890       80.54077 
1 1 1 -10 -12 13 o 120.0651 56.49924 -6.655828      10.78330  5.787180       10.84962  -27.65012      90.57484 
1 1 1 -10 -11 1  o 383.8568 19.52737 35.86587       4.730260  29.69086       4.544272  36.71640       39.47490 
1 1 1 -10 -11 2  o 431.3045 18.91762 37.51605       4.893616  45.38676       5.220284  -41.34323      38.14473 
1 1 1 -10 -11 3  o 189.3762 38.94409 6.441322       4.415858  10.33013       4.428293  -40.79689      72.64326 
1 1 1 -10 -11 4  o 283.7365 29.10699 22.59206       4.906303  13.16818       5.208207  80.52936       63.43237 
1 1 1 -10 -11 5  o 298.5272 25.57374 18.08083       4.514740  22.33391       4.887921  -32.11880      52.52694 
1 1 1 -10 -11 6  o 215.7161 33.52372 9.202103       4.352135  12.42662       4.328582  -33.97195      67.90873 
1 1 1 -10 -11 7  o 389.8423 21.22993 34.50748       5.150939  33.69258       5.079019  4.595367       43.14869 
1 1 1 -10 -11 8  o 103.3228 41.68568 2.772375       4.116795  0.2831724      4.119611  17.68225       68.38308 
1 1 1 -10 -11 9  o 278.0132 28.43467 17.01105       4.647985  19.25673       5.046055  -16.31351      60.02218 
1 1 1 -10 -11 10 f 105.8785 42.60128 1.514351       4.285333  2.265380       4.291563  -5.180939      69.53382 
1 1 1 -10 -11 11 o 124.8639 45.60906 5.566346       4.580611  2.104601       4.614985  25.50092       73.81489 
1 1 1 -10 -11 12 o 141.0535 46.19038 -0.7203624     4.417172  13.05144       4.944731  -112.5964      70.03957 
1 1 1 -10 -11 13 o 123.7536 46.01698 4.291633       4.669701  3.655492       4.762952  4.122414       74.24135 
1 1 1 -10 -11 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 -10 1  o 803.1438 17.42382 144.0847       8.723875  140.4070       8.638085  10.38916       35.00048 
1 1 1 -10 -10 2  o 155.3286 39.49195 4.903893       3.733753  6.493624       3.897557  -17.94073      69.89301 
1 1 1 -10 -10 3  o 180.0231 34.38591 10.19893       3.775730  5.040174       3.628583  58.76662       64.65014 
1 1 1 -10 -10 4  o 110.9890 41.47961 3.273762       3.844234  1.082135       3.837840  18.69162       68.31939 
1 1 1 -10 -10 5  o 433.2594 20.61757 38.26954       5.432872  45.27367       5.622560  -36.87888      41.67208 
1 1 1 -10 -10 6  o 291.2975 24.03956 19.99878       4.404531  18.16572       4.212417  14.10568       49.23030 
1 1 1 -10 -10 7  o 139.0078 40.93249 1.054631       3.737482  8.251876       3.796845  -72.52390      65.92237 
1 1 1 -10 -10 8  o 327.6499 22.32694 24.50152       4.548939  23.89794       4.473593  3.991272       45.63268 
1 1 1 -10 -10 9  o 183.4053 40.92304 7.624762       3.916028  9.933372       5.596272  -18.61198      77.74648 
1 1 1 -10 -10 10 o 515.5689 19.40878 59.71595       6.212379  60.05442       6.180138  -1.671387      39.44181 
1 1 1 -10 -10 11 o 286.6582 26.44565 20.87857       4.652536  17.50186       4.646639  28.36679       56.02184 
1 1 1 -10 -10 12 o 175.9832 41.28612 4.599691       4.345031  12.02663       4.517650  -72.43236      72.29704 
1 1 1 -10 -10 13 o 84.65393 38.24205 -4.519060      4.172241  3.773881       4.390326  -45.43064      64.38010 
1 1 1 -10 -10 14 o 154.0964 46.40675 7.210832       4.707202  6.328906       4.897015  7.727982       78.03254 
1 1 1 -10 -9  1  o 76.44089 34.45245 -4.596338      3.349926  2.644501       3.556008  -50.26276      59.30386 
1 1 1 -10 -9  2  o 558.0117 17.10309 68.16778       5.838330  69.26576       5.990989  -4.332581      34.35813 
1 1 1 -10 -9  3  o 264.1576 24.54403 21.92095       4.057317  9.799954       3.899079  108.3724       53.99399 
1 1 1 -10 -9  4  o 225.3233 27.80459 9.514698       3.561896  14.09448       4.103228  -45.59151      57.28729 
1 1 1 -10 -9  5  o 338.6907 21.38422 23.08541       4.407473  28.02297       4.534894  -33.48810      43.43617 
1 1 1 -10 -9  6  o 190.1084 36.71765 9.744643       4.211693  7.162532       4.135895  28.04962       70.21211 
1 1 1 -10 -9  7  o 181.1851 36.39224 4.176866       3.889382  11.50423       4.009493  -79.39920      66.10122 
1 1 1 -10 -9  8  o 319.6005 22.54568 19.35088       4.354799  26.86208       4.532757  -54.26077      46.53823 
1 1 1 -10 -9  9  o 399.6664 30.99834 40.20076       7.414886  33.18202       7.854291  44.63235       65.62689 
1 1 1 -10 -9  10 o 115.0894 41.64558 0.9900594      3.833310  4.877192       3.808674  -32.87585      67.63040 
1 1 1 -10 -9  11 o 141.4511 41.80011 0.3842191E-01  3.974970  9.866968       3.871871  -91.97173      64.57908 
1 1 1 -10 -9  12 o 199.8427 34.22310 10.45732       4.115663  9.258073       4.064848  12.82288       69.08644 
1 1 1 -10 -9  13 o 91.36420 38.96531 -0.2675167     3.865234  1.881068       3.918790  -14.01855      63.86588 
1 1 1 -10 -9  14 o 149.7805 43.89978 6.880315       4.368094  5.654565       4.315030  11.03906       74.52666 
1 1 1 -10 -9  15 o 169.6684 42.77927 11.11489       4.620974  5.222358       4.389384  54.69701       74.61087 
1 1 1 -10 -8  1  o 586.2394 16.32200 75.74107       5.961467  75.76036       5.898683  -0.1377563     32.76101 
1 1 1 -10 -8  2  o 603.1067 16.61128 79.09339       6.179099  81.29218       6.238707  -8.286011      33.34129 
1 1 1 -10 -8  3  o 770.3083 17.31618 129.6801       8.325808  131.9506       8.223798  -6.859802      34.79549 
1 1 1 -10 -8  4  o 684.8860 19.59361 94.59895       9.679559  109.1562       7.402592  -52.78119      41.82590 
1 1 1 -10 -8  5  o 171.2663 35.95070 9.095430       3.700529  4.595744       3.694495  51.13991       65.89680 
1 1 1 -10 -8  6  o 542.7389 17.82061 62.45161       5.942115  67.80828       6.042278  -22.49652      35.83805 
1 1 1 -10 -8  7  o 206.0560 32.16209 7.832259       3.884379  11.89382       4.076056  -43.84048      64.56021 
1 1 1 -10 -8  8  o 483.9080 21.50200 40.95195       7.698340  58.30976       5.645555  -91.65521      49.54726 
1 1 1 -10 -8  9  o 92.14310 41.53205 -1.269955      3.544040  0.000000       0.000000  ?              ?        
1 1 1 -10 -8  10 o 265.7987 25.71514 16.33547       4.260818  16.05270       4.116947  1.665131       53.60733 
1 1 1 -10 -8  11 o 131.6567 41.94479 6.175133       4.006856  2.713961       3.725114  33.89727       69.68417 
1 1 1 -10 -8  12 o 87.75183 37.97540 0.7528312      3.850825  -0.2035410     3.750564  7.078323       62.88025 
1 1 1 -10 -8  13 o 87.90171 37.90784 3.795409       3.846186  -2.579837      3.679758  42.63105       62.56466 
1 1 1 -10 -8  14 o 120.6904 41.57926 6.402751       3.851690  1.278624       3.696861  45.58686       67.13734 
1 1 1 -10 -8  15 o 165.3064 39.19123 6.313242       3.978299  8.293953       3.936581  -21.11716      71.18958 
1 1 1 -10 -7  1  o 304.2302 19.45040 21.93525       3.701536  19.17894       3.603359  20.76590       39.39524 
1 1 1 -10 -7  2  o 424.8155 16.79601 39.58354       4.399625  40.05167       4.435375  -2.486450      33.76355 
1 1 1 -10 -7  3  o 155.3468 46.04970 0.000000       0.000000  5.565471       3.361905  ?              ?        
1 1 1 -10 -7  4  o 239.0946 24.31347 12.54389       3.460768  13.08678       3.659456  -4.757889      50.05183 
1 1 1 -10 -7  5  o 633.3563 16.56976 89.12931       6.512760  87.99223       6.496078  4.090698       33.27997 
1 1 1 -10 -7  6  o 134.8293 41.83084 3.241791       3.894624  4.997214       3.830479  -16.99590      70.36772 
1 1 1 -10 -7  7  o 313.1889 24.37788 27.07178       4.757942  17.00500       4.641809  75.12091       51.22005 
1 1 1 -10 -7  8  o 414.5264 27.51901 0.000000       0.000000  38.65729       4.975313  ?              ?        
1 1 1 -10 -7  9  o 252.7962 31.45577 16.59995       4.087804  10.41376       6.199682  65.40260       72.57507 
1 1 1 -10 -7  10 o 141.9091 40.74366 4.462293       3.769281  5.354754       3.780218  -9.276215      69.89586 
1 1 1 -10 -7  11 o 290.1439 24.51041 21.01537       4.396115  17.62709       4.344766  27.43790       51.11290 
1 1 1 -10 -7  12 o 236.4607 27.78350 16.28885       4.089013  10.17545       3.912169  60.46172       59.17733 
1 1 1 -10 -7  13 f 199.4819 33.05890 9.534432       3.871337  9.995484       4.028659  -3.868973      67.33469 
1 1 1 -10 -7  14 o 160.6555 38.95003 10.15530       3.895999  3.601459       3.788219  68.27605       67.21523 
1 1 1 -10 -7  15 o 152.2671 40.56342 1.991649       3.683424  11.82406       4.159857  -95.93172      65.71782 
1 1 1 -10 -7  16 o 81.45688 36.33598 2.358775       3.780515  -2.374106      3.679250  27.65952       60.19688 
1 1 1 -10 -6  1  f 733.5676 16.01249 114.9052       7.147792  122.7928       7.433475  -24.24847      32.17228 
1 1 1 -10 -6  2  o 450.7038 16.45917 44.43629       4.544245  45.22008       4.645307  -3.866486      33.07997 
1 1 1 -10 -6  3  o 824.7141 16.82290 146.3200       8.455753  153.5947       8.765358  -19.88513      33.77251 
1 1 1 -10 -6  4  o 578.2007 16.00841 72.08268       5.563301  75.51499       5.926307  -13.20898      32.15606 
1 1 1 -10 -6  5  o 560.9016 16.19194 73.88463       5.694232  65.14568       5.563849  35.52295       32.54461 
1 1 1 -10 -6  6  o 253.5988 23.75670 14.31038       3.602025  14.50147       3.792802  -1.185165      48.82983 
1 1 1 -10 -6  7  o 150.0601 39.27978 6.796416       3.733188  3.814845       3.664542  32.94136       68.32986 
1 1 1 -10 -6  8  o 72.87585 34.78943 -4.469320      5.278908  -3.695795      3.845195  16.23277       62.38254 
1 1 1 -10 -6  9  o 244.1102 25.99187 14.02434       3.826431  12.93622       3.926314  11.00987       54.00640 
1 1 1 -10 -6  10 o 337.3484 21.00559 25.87567       4.342399  25.16159       4.406112  5.154510       42.77504 
1 1 1 -10 -6  11 o 102.3461 39.83992 4.413334       3.627973  -0.8366427     3.646567  42.19710       64.45536 
1 1 1 -10 -6  12 o 265.2534 25.70987 16.55565       4.209237  16.07519       4.146224  3.862427       53.97020 
1 1 1 -10 -6  13 o 79.57186 35.65389 -1.718454      3.497253  0.7326402      3.786106  -17.80393      60.02299 
1 1 1 -10 -6  14 o 156.1601 39.03935 7.142774       3.735267  5.582434       3.808239  16.92174       69.64748 
1 1 1 -10 -6  15 o 124.2936 41.77028 3.802232       3.702007  4.363604       3.913662  -5.586823      68.82468 
1 1 1 -10 -6  16 o 82.66495 36.43289 0.3072421      3.540614  0.2466230E-01  3.745106  -0.3032227     59.91438 
1 1 1 -10 -5  1  o 292.0494 27.52209 25.47219       5.243766  14.34486       4.661871  87.22826       57.87834 
1 1 1 -10 -5  2  o 115.9512 38.34222 3.035741       3.198784  2.797687       3.215583  2.343208       64.03492 
1 1 1 -10 -5  3  f 394.8631 17.25274 36.97897       4.260701  31.98324       4.172131  28.94159       34.76556 
1 1 1 -10 -5  4  o 115.9683 38.46302 1.813891       3.197649  3.993763       3.256571  -23.29320      63.85050 
1 1 1 -10 -5  5  o 301.8508 20.21116 26.03897       3.865024  14.97511       3.667942  84.81558       42.29195 
1 1 1 -10 -5  6  o 483.9878 16.52090 51.18033       4.895601  52.32058       5.011969  -5.240326      33.21357 
1 1 1 -10 -5  7  o 303.9872 21.27406 17.78165       3.836462  23.82384       4.155223  -45.27811      43.33371 
1 1 1 -10 -5  8  o 288.5572 23.08181 19.90353       4.053716  17.20868       4.142059  22.07996       47.36168 
1 1 1 -10 -5  9  o 339.0316 20.58992 24.48619       4.156578  26.90752       4.481358  -15.69431      41.75526 
1 1 1 -10 -5  10 o 72.41694 33.12968 -3.392701      3.279801  0.6882213      3.400584  -26.27287      57.07203 
1 1 1 -10 -5  11 o 294.4250 22.77823 19.65697       4.085610  19.56343       4.171403  1.151978       46.80185 
1 1 1 -10 -5  12 o 166.4475 37.11621 6.062976       3.763906  7.616851       3.705920  -17.63239      68.59903 
1 1 1 -10 -5  13 o 145.6974 40.69799 10.02022       3.867344  1.052771       3.772648  88.89490       64.65345 
1 1 1 -10 -5  14 o 79.79964 35.73756 -1.433074      3.486538  0.6665138      3.827433  -15.99855      59.95407 
1 1 1 -10 -5  15 o 89.91911 38.38656 1.028103       3.672802  0.5882093      3.904997  0.7010727      62.76165 
1 1 1 -10 -5  16 o 161.5958 39.45042 7.913138       3.772519  6.136745       4.085172  20.15045       70.85779 
1 1 1 -10 -5  17 o 97.73403 39.81403 1.890464       3.597543  1.974017       4.037851  -3.315704      64.27169 
1 1 1 -10 -4  1  o 383.3173 23.96560 33.51274       5.679266  32.38255       5.660820  6.801453       48.78098 
1 1 1 -10 -4  2  o 192.5340 39.16638 7.963251       4.537914  9.453702       4.499022  -15.60213      74.11872 
1 1 1 -10 -4  3  o 100.2096 42.32758 0.000000       0.000000  0.3435742      3.194451  ?              ?        
1 1 1 -10 -4  4  o 483.1111 15.87144 52.17053       4.753765  50.72852       4.746159  6.829651       31.87197 
1 1 1 -10 -4  5  o 210.5228 26.91961 11.30560       3.502480  8.775000       3.371557  27.76591       55.41625 
1 1 1 -10 -4  6  o 88.18003 36.38159 -1.625856      3.238024  2.741016       3.209083  -34.74963      60.00013 
1 1 1 -10 -4  7  o 721.0673 16.60422 113.0691       7.350904  116.5089       7.505406  -10.71936      33.37795 
1 1 1 -10 -4  8  o 462.1697 17.83098 50.28521       5.206744  44.40761       5.004152  28.87769       35.89159 
1 1 1 -10 -4  9  o 184.5488 36.35894 9.311973       3.865533  6.389141       4.181526  32.32579       69.04225 
1 1 1 -10 -4  10 o 344.3613 20.16254 30.80577       4.270770  22.02984       4.305778  59.44522       41.66167 
1 1 1 -10 -4  11 o 101.6417 39.11142 1.455192       3.405020  2.143531       3.550333  -7.323708      64.38952 
1 1 1 -10 -4  12 o 248.2991 25.40681 11.96924       3.706348  16.75485       4.030327  -43.80110      53.29785 
1 1 1 -10 -4  13 o 164.1793 37.11443 8.528701       3.611727  4.827113       3.775250  41.56670       67.25036 
1 1 1 -10 -4  14 o 191.7076 32.86885 7.093726       3.602693  11.32749       3.958725  -45.50357      65.50557 
1 1 1 -10 -4  15 o 147.2807 40.65929 7.887234       3.800644  3.680614       3.873359  42.24231       68.97918 
1 1 1 -10 -4  16 o 78.05907 35.38224 0.4495896      3.618243  -1.797353      3.784008  10.25855       58.86725 
1 1 1 -10 -4  17 o 97.31694 39.83471 1.010308       3.672472  2.828033       3.998325  -14.27087      64.45202 
1 1 1 -10 -3  1  o 446.9885 22.55093 45.21035       6.312288  44.21273       6.155928  4.708252       45.73834 
1 1 1 -10 -3  2  o 396.8058 23.88385 39.69835       6.073959  31.35806       5.652219  47.49631       48.59864 
1 1 1 -10 -3  3  f 232.0836 28.52119 15.89403       4.974973  10.39304       3.463438  49.01332       59.58291 
1 1 1 -10 -3  4  o 361.6712 17.60811 28.15950       3.903012  29.68294       3.975065  -9.584045      35.46950 
1 1 1 -10 -3  5  o 245.9599 33.13555 0.000000       0.000000  13.73647       3.484014  ?              ?        
1 1 1 -10 -3  6  o 289.7482 20.70080 19.21528       3.660742  18.06872       3.732678  9.345093       42.07464 
1 1 1 -10 -3  7  o 269.0752 22.23256 18.28571       3.700279  14.09136       3.655752  36.38365       45.84103 
1 1 1 -10 -3  8  o 831.8714 17.54595 149.5065       8.919215  156.3277       9.195474  -18.40515      35.27049 
1 1 1 -10 -3  9  o 411.8117 19.70458 34.11305       4.852705  41.63520       5.203732  -41.33145      39.78302 
1 1 1 -10 -3  10 o 254.1464 25.36316 14.36051       3.907299  14.81743       3.984266  -3.944977      52.41954 
1 1 1 -10 -3  11 o 172.1149 36.14114 8.533453       3.755306  5.642281       3.716239  32.89398       67.37753 
1 1 1 -10 -3  12 o 482.5135 18.21613 51.52660       5.337772  52.63595       5.553722  -4.548523      36.88547 
1 1 1 -10 -3  13 o 104.7871 39.41214 3.880328       3.473359  0.6460853      3.485280  27.43837       64.05634 
1 1 1 -10 -3  14 o 137.3040 40.04058 0.1827988      3.428051  10.69676       3.847177  -105.5647      61.46362 
1 1 1 -10 -3  15 o 121.2988 40.22921 4.938607       3.394643  2.454614       3.682628  22.14659       65.93657 
1 1 1 -10 -3  16 o 165.7806 38.35757 7.196073       3.706306  7.462815       4.048882  -0.7995300     70.72321 
1 1 1 -10 -3  17 o 88.34877 37.70983 0.3993354      3.552778  1.657393       3.756191  -9.518051      61.32978 
1 1 1 -10 -3  18 o 96.22698 39.24149 1.208277       3.539949  2.812033       3.872195  -12.83058      63.27353 
1 1 1 -10 -2  1  o 211.8574 25.83106 8.503866       3.269052  12.05060       3.383088  -38.99745      53.80333 
1 1 1 -10 -2  2  o 235.0144 33.40810 9.567644       4.613008  16.33971       4.863608  -65.30333      68.42505 
1 1 1 -10 -2  3  o 201.0278 38.11633 7.142349       4.418319  12.12743       4.759224  -51.08548      72.68756 
1 1 1 -10 -2  4  o 122.3552 37.50395 3.822819       3.043308  2.899572       3.193636  9.146385       63.38095 
1 1 1 -10 -2  5  o 461.4029 16.00107 45.40341       4.526908  48.54956       4.620238  -15.52005      32.14364 
1 1 1 -10 -2  6  o 375.2679 17.71659 32.14351       4.143684  30.14338       4.082083  12.16553       35.68924 
1 1 1 -10 -2  7  o 324.2047 19.39060 25.45891       3.906505  21.23866       3.857642  30.00610       39.36157 
1 1 1 -10 -2  8  o 212.3296 27.34123 9.094604       3.495198  11.37652       3.540610  -25.06839      56.46894 
1 1 1 -10 -2  9  o 786.3834 17.32940 134.6382       8.331800  138.5578       8.580601  -11.07990      34.84090 
1 1 1 -10 -2  10 o 393.4558 22.12447 34.52844       4.559390  34.54831       6.893892  6.326111       49.25809 
1 1 1 -10 -2  11 o 90.15238 37.14592 0.9872765      3.246782  0.4664487      3.473439  1.180344       61.58478 
1 1 1 -10 -2  12 o 121.1812 40.02814 5.376321       3.530421  1.537059       3.461956  38.11069       65.63853 
1 1 1 -10 -2  13 o 308.3124 21.50232 22.78676       4.145177  20.47214       4.030437  16.98068       44.19364 
1 1 1 -10 -2  14 o 127.5839 40.44176 4.524888       3.507503  3.680837       3.679798  7.661713       67.57811 
1 1 1 -10 -2  15 o 154.4631 38.44772 7.322510       3.503574  4.884455       3.861207  27.13300       68.16680 
1 1 1 -10 -2  16 o 311.9106 22.49491 21.05418       4.161477  24.81549       4.505332  -25.22525      47.10118 
1 1 1 -10 -2  17 o 162.4028 37.74893 5.775491       3.583020  8.730713       3.897700  -29.97931      69.06937 
1 1 1 -10 -2  18 o 76.52939 34.98209 -2.382646      3.539114  1.610738       3.913478  -23.81245      58.52058 
1 1 1 -10 -1  1  o 192.0715 38.11853 10.48565       4.378908  7.071368       4.383800  36.08955       72.31760 
1 1 1 -10 -1  2  o 414.3100 22.70601 34.22358       5.677367  43.05241       5.959381  -48.51627      46.22613 
1 1 1 -10 -1  3  o 720.7922 22.43662 116.7373       10.14358  114.5278       9.900249  6.537537       45.26957 
1 1 1 -10 -1  4  o 244.4465 31.93936 17.24785       4.725117  9.918162       4.729698  69.96208       66.51359 
1 1 1 -10 -1  5  o 185.4939 29.40709 10.48570       3.318749  5.334993       3.225259  61.33000       58.21065 
1 1 1 -10 -1  6  o 165.4280 32.85110 9.079163       3.247246  3.547005       3.257210  66.36041       60.13697 
1 1 1 -10 -1  7  o 145.0318 35.42014 6.831965       3.138071  2.953856       3.179693  46.24982       61.81947 
1 1 1 -10 -1  8  o 212.8338 25.81618 11.16572       3.360363  9.333856       3.317617  20.14777       53.43039 
1 1 1 -10 -1  9  o 444.6394 18.37022 40.71355       5.161781  46.58664       4.956359  -30.77548      37.23614 
1 1 1 -10 -1  10 o 65.42858 32.68393 -10.05009      3.860070  0.000000       0.000000  ?              ?        
1 1 1 -10 -1  11 o 360.5942 19.34389 28.40021       4.285392  29.58789       4.337243  -7.472870      39.17754 
1 1 1 -10 -1  12 o 522.0484 17.02243 61.98239       5.494312  59.37675       5.516013  11.55756       34.37072 
1 1 1 -10 -1  13 o 127.3887 39.67849 2.486669       3.367036  5.645139       3.585561  -33.29662      66.19047 
1 1 1 -10 -1  14 o 242.4828 26.34478 11.19329       3.728440  16.96202       4.095547  -53.79025      56.07148 
1 1 1 -10 -1  15 o 79.13786 35.01757 2.053524       3.309546  -2.661309      3.484090  27.32239       58.09371 
1 1 1 -10 -1  16 o 190.1329 33.14684 9.911660       3.762968  8.386779       3.771836  17.59331       66.93906 
1 1 1 -10 -1  17 o 116.2699 40.81735 6.621217       3.777460  1.007991       3.523027  49.23892       65.51357 
1 1 1 -10 -1  18 o 257.5115 25.97638 18.74338       4.142610  13.78490       4.044750  46.22180       57.10606 
1 1 1 -10 0   1  o 341.0092 23.90839 28.83253       5.080958  23.61757       4.971660  35.34738       49.05812 
1 1 1 -10 0   2  o 99.59814 41.42580 -1.891098      4.128008  3.771570       4.331930  -41.03985      68.48914 
1 1 1 -10 0   3  o 199.9277 37.20960 9.413288       4.383535  9.338899       4.508975  1.021393       72.39315 
1 1 1 -10 0   4  o 414.2761 23.00231 38.83765       6.003960  37.58075       5.778547  6.542633       46.56281 
1 1 1 -10 0   5  o 292.9272 20.13425 19.02266       3.586943  19.06388       3.687788  -0.1251526     40.82139 
1 1 1 -10 0   6  o 543.7903 15.76619 65.90747       5.298336  64.47733       5.327194  6.053772       31.65528 
1 1 1 -10 0   7  o 115.6137 38.82479 3.784690       3.219361  1.862009       3.356897  18.29662       64.33026 
1 1 1 -10 0   8  f 104.0909 38.47197 3.974329       3.356151  0.1640054      3.221877  36.98973       62.84645 
1 1 1 -10 0   9  o 283.7386 32.88556 0.000000       0.000000  18.33842       4.017140  ?              ?        
1 1 1 -10 0   10 o 70.71144 34.10248 -6.029650      3.846236  -1.898170      5.559098  -39.52977      64.03734 
1 1 1 -10 0   11 o 115.4043 39.80526 2.782439       3.448829  2.967181       3.465753  -1.926208      66.00073 
1 1 1 -10 0   12 o 734.2032 17.03482 119.4015       7.743787  120.2901       7.773024  -2.703613      34.37276 
1 1 1 -10 0   13 o 338.4117 20.17672 23.97191       4.167707  27.78999       4.266724  -25.83875      41.24706 
1 1 1 -10 0   14 o 245.0399 26.13288 15.24982       3.808467  12.76430       4.022408  26.54965       55.99358 
1 1 1 -10 0   15 o 179.3537 34.78757 5.604721       3.523300  11.19233       3.979565  -60.21225      66.12051 
1 1 1 -10 0   16 o 87.43819 37.23107 -0.8330309     3.383019  2.815178       3.728055  -27.38493      61.25963 
1 1 1 -10 0   17 o 263.9744 29.77673 19.98617       4.169143  12.12161       5.812042  96.12984       70.66882 
1 1 1 -10 0   18 o 110.3870 40.35294 5.558103       3.729084  1.445402       3.483670  34.00033       64.80667 
1 1 1 -10 0   19 o 133.7277 41.88441 4.156967       3.822843  6.738170       3.902819  -22.62968      69.08860 
1 1 1 -10 1   1  o 297.0486 25.79487 23.40066       4.881157  17.00789       4.548490  49.24496       53.52374 
1 1 1 -10 1   2  o 233.3654 31.20897 9.915365       4.367455  15.29278       4.442906  -53.56578      64.83226 
1 1 1 -10 1   3  o 153.9764 41.74249 6.743663       4.203559  4.680649       3.978163  21.98222       72.57074 
1 1 1 -10 1   4  o 600.2338 21.43982 82.80710       8.127466  77.27699       7.821394  20.63074       43.20726 
1 1 1 -10 1   5  o 262.9027 21.34024 16.73112       3.536003  14.16163       3.370639  22.37404       43.52316 
1 1 1 -10 1   6  o 593.4523 15.72035 71.41321       5.620865  84.64051       5.957947  -50.57788      31.56387 
1 1 1 -10 1   7  o 232.0188 24.08779 12.02376       3.403984  12.12195       3.429092  -0.9179688     49.62064 
1 1 1 -10 1   8  o 191.9743 29.71750 9.507463       3.455461  7.416594       3.394713  24.50935       59.91982 
1 1 1 -10 1   9  o 183.4323 45.14927 0.000000       0.000000  8.053618       3.607789  ?              ?        
1 1 1 -10 1   10 o 447.9507 18.00641 46.87541       4.994055  42.01870       4.992544  24.93365       36.33279 
1 1 1 -10 1   11 o 312.2816 21.10587 20.55437       3.988822  23.16939       4.144654  -18.97977      42.96254 
1 1 1 -10 1   12 o 143.9404 37.32748 5.688480       3.322243  4.299135       3.400372  15.75320       65.68335 
1 1 1 -10 1   13 o 116.3082 39.48286 2.208324       3.342912  4.134485       3.456752  -19.47126      65.22791 
1 1 1 -10 1   14 o 96.24749 38.57749 0.5287409      3.423251  2.612453       3.587166  -17.57765      63.13385 
1 1 1 -10 1   15 o 141.0873 38.90910 6.582793       3.500389  3.758539       3.530507  30.07901       66.73225 
1 1 1 -10 1   16 o 218.4620 28.48545 13.00346       3.732577  10.18983       3.805269  31.89529       61.04678 
1 1 1 -10 1   17 o 189.4458 33.32344 7.934834       3.660903  10.84460       3.896430  -30.33574      67.24099 
1 1 1 -10 1   18 o 127.6977 41.02800 5.527933       3.664158  4.030879       3.707424  13.54008       67.52982 
1 1 1 -10 1   19 o 63.21173 30.38729 -1.567516      3.527746  -3.204746      3.443301  7.418877       51.66798 
1 1 1 -10 2   1  o 295.1539 18.93782 21.43690       3.556750  17.67903       3.350542  28.86209       38.49923 
1 1 1 -10 2   2  o 380.1570 23.47662 33.31279       5.543310  31.59879       5.475771  10.26511       47.81114 
1 1 1 -10 2   3  f 92.39240 39.85083 0.5871243      4.142292  -0.7236560     4.171567  7.932304       66.72307 
1 1 1 -10 2   4  o 179.4484 41.59637 8.682022       4.532438  6.544443       4.547320  21.84393       75.53819 
1 1 1 -10 2   5  o 403.3278 17.14501 35.03836       4.171602  36.94373       4.396813  -10.52631      34.51434 
1 1 1 -10 2   6  o 553.7241 15.49284 68.11123       5.361550  67.10551       5.272279  4.059387       31.10106 
1 1 1 -10 2   7  o 135.8550 36.44919 4.828374       3.100596  3.757978       3.170923  12.33322       63.53922 
1 1 1 -10 2   8  o 211.9034 27.02433 11.57001       3.564493  8.936831       3.385566  28.50224       55.78091 
1 1 1 -10 2   9  o 298.7381 23.92955 22.35570       5.511580  18.89277       3.765996  21.24390       51.42098 
1 1 1 -10 2   10 o 177.6826 34.50560 8.179441       3.604111  6.488337       3.731365  19.73102       66.02894 
1 1 1 -10 2   11 o 250.0517 24.82154 10.54975       3.608928  18.58686       4.023501  -73.81750      52.23499 
1 1 1 -10 2   12 o 114.0663 39.38074 4.082044       3.378826  1.645354       3.389610  23.46124       64.78893 
1 1 1 -10 2   13 o 103.0224 38.82105 3.915888       3.425147  0.3333926      3.335078  32.16891       63.22799 
1 1 1 -10 2   14 o 140.0201 47.19458 5.088128       3.433180  0.000000       0.000000  ?              ?        
1 1 1 -10 2   15 o 123.3203 39.63976 4.512267       3.364628  3.273149       3.520954  11.66177       65.86282 
1 1 1 -10 2   16 o 101.6339 38.73699 1.740334       3.331623  2.993571       3.446323  -11.01841      62.86182 
1 1 1 -10 2   17 o 110.3147 39.94695 2.714878       3.410324  3.867930       3.633070  -10.35922      64.72070 
1 1 1 -10 2   18 o 168.4727 36.47772 9.921272       3.722974  5.687431       3.680471  46.01433       67.48433 
1 1 1 -10 2   19 o 88.15020 37.45034 3.243316       3.564035  -0.4876598     3.578001  23.06050       60.08627 
1 1 1 -10 3   1  o 179.4152 40.27779 2.473912       4.246451  13.72538       4.510618  -111.3872      67.61278 
1 1 1 -10 3   2  o 166.2262 42.71121 11.35036       4.878352  3.417640       4.082259  79.82182       72.93741 
1 1 1 -10 3   3  o 320.4650 26.05874 26.73970       5.357185  20.00203       4.939375  47.77240       53.59844 
1 1 1 -10 3   4  o 204.4819 25.89584 9.490180       3.198964  9.408701       3.223564  1.021515       53.37722 
1 1 1 -10 3   5  o 408.9473 16.65369 37.36554       4.281090  36.53055       4.153494  4.511017       33.50618 
1 1 1 -10 3   6  o 391.7372 17.26851 32.74337       4.174204  35.09974       4.197860  -13.78922      34.77935 
1 1 1 -10 3   7  o 627.3608 15.90772 85.98309       6.177256  87.73529       6.194245  -6.374207      31.94281 
1 1 1 -10 3   8  o 248.0294 22.78977 11.95963       3.527967  15.49817       3.409503  -34.11633      47.62092 
1 1 1 -10 3   9  o 700.7006 16.40085 109.5438       7.313853  107.5391       6.957078  5.986328       33.01915 
1 1 1 -10 3   10 o 376.2321 19.13165 31.27811       4.590331  31.56459       4.322484  -2.331238      38.73380 
1 1 1 -10 3   11 o 385.1278 19.17564 32.83825       4.652721  33.20372       4.485288  -2.633148      38.82492 
1 1 1 -10 3   12 o 375.7028 19.21029 36.25771       4.625745  27.48495       4.314885  52.89459       39.07206 
1 1 1 -10 3   13 o 178.2884 33.84086 7.837189       3.675705  7.510869       3.539746  3.275513       65.88964 
1 1 1 -10 3   14 o 140.3879 39.61199 6.730494       3.605403  3.355284       3.592443  35.34698       67.29068 
1 1 1 -10 3   15 o 64.99645 30.93111 -0.7685358     3.405031  -4.139232      3.433110  15.15404       53.47925 
1 1 1 -10 3   16 f 81.58360 35.94746 0.3138464E-01  3.529516  0.2104518      3.550982  -1.287155      59.22136 
1 1 1 -10 3   17 o 102.2510 39.08812 1.727397       3.459612  3.454335       3.452038  -13.54966      62.88732 
1 1 1 -10 3   18 f 70.62891 32.72644 0.6389106E-01  3.490231  -1.934904      3.330219  11.60146       54.69230 
1 1 1 -10 3   19 o 69.88213 32.58462 -2.365379      3.549692  0.2311707      3.379249  -10.46281      54.03497 
1 1 1 -10 4   1  o 445.6104 22.48884 44.04143       6.268702  44.88747       6.126347  -4.844940      45.66323 
1 1 1 -10 4   2  o 230.0082 32.55695 10.76408       4.595209  13.55791       4.439791  -28.86949      67.16486 
1 1 1 -10 4   3  o 212.0160 25.45359 10.02566       3.439096  10.27572       3.142435  -3.910614      52.88979 
1 1 1 -10 4   4  o 184.7683 27.75349 7.286589       3.157699  8.214941       3.012928  -11.85844      56.32398 
1 1 1 -10 4   5  o 348.3015 17.72087 25.25155       3.889975  28.30825       3.746402  -20.47217      35.90413 
1 1 1 -10 4   6  o 324.7943 19.02654 23.34100       3.942908  23.42120       3.701730  -1.022125      38.53848 
1 1 1 -10 4   7  o 475.5594 16.29620 47.43142       4.778484  52.54355       4.822346  -24.59598      32.79532 
1 1 1 -10 4   8  o 367.2780 18.15488 28.41076       4.066169  31.53535       4.183135  -19.35687      36.66236 
1 1 1 -10 4   9  o 241.2177 24.85012 11.79522       3.708912  14.38036       3.623065  -25.74472      51.80360 
1 1 1 -10 4   10 o 301.7384 21.49856 22.72945       4.178012  18.29688       3.838748  33.12808       43.76705 
1 1 1 -10 4   11 o 311.4013 21.11904 22.47795       4.135151  20.99218       3.980094  10.59250       42.99580 
1 1 1 -10 4   12 o 246.0812 25.15958 14.07601       3.877955  13.57486       3.701406  3.875381       52.37154 
1 1 1 -10 4   13 o 105.0847 39.19287 3.060637       3.544752  1.532979       3.317900  15.35100       64.35057 
1 1 1 -10 4   14 o 90.19539 37.81274 -0.4348465     3.563444  2.111840       3.562023  -17.82310      62.11336 
1 1 1 -10 4   15 o 177.1994 35.26927 7.094889       3.713085  8.970956       3.768415  -20.95270      68.06304 
1 1 1 -10 4   16 o 225.2408 28.40998 13.42352       3.886171  11.38057       3.876564  21.90759       61.17202 
1 1 1 -10 4   17 o 92.03147 38.32241 3.273202       3.654432  -0.1285201     3.591874  22.91728       61.77953 
1 1 1 -10 4   18 o 188.1305 34.21889 7.879817       3.856358  11.06677       3.836369  -35.93839      68.33531 
1 1 1 -10 4   19 o 193.6527 32.97840 6.333124       3.770342  14.23531       3.871148  -84.59094      64.64589 
1 1 1 -10 5   1  o 576.1140 15.76763 68.06944       5.535189  79.19212       5.729152  -43.89935      31.73682 
1 1 1 -10 5   2  o 187.9623 28.57312 5.469071       3.193914  10.82650       3.260672  -63.76459      57.31053 
1 1 1 -10 5   3  o 563.9756 15.87288 66.33566       5.517562  74.21608       5.578006  -31.93591      31.92227 
1 1 1 -10 5   4  f 395.3905 17.47901 33.25579       4.349130  35.80545       4.207322  -15.05899      35.29294 
1 1 1 -10 5   5  o 523.0602 16.25146 57.85912       5.299144  62.83579       5.234712  -21.89383      32.69569 
1 1 1 -10 5   6  o 229.1178 24.85233 11.64887       3.577816  11.92820       3.381806  -3.536469      51.41381 
1 1 1 -10 5   7  o 168.3568 33.17926 6.519879       3.505294  6.655944       3.199265  -1.751282      63.46808 
1 1 1 -10 5   8  o 531.7344 16.40902 60.91179       5.447399  64.16600       5.365470  -14.19220      33.03726 
1 1 1 -10 5   9  o 748.3992 17.02657 115.0094       7.718753  133.6820       8.104431  -56.48584      34.27641 
1 1 1 -10 5   10 o 251.2399 25.38137 20.13830       4.185128  9.712229       3.668657  95.10881       53.86547 
1 1 1 -10 5   11 o 88.65588 37.12543 -1.595369      3.491336  2.459637       3.368923  -28.55666      61.29148 
1 1 1 -10 5   12 o 429.8577 17.81005 41.98966       4.945330  40.61173       4.556078  6.120758       36.11221 
1 1 1 -10 5   13 o 187.4390 30.82698 6.836677       3.613580  9.668458       3.324166  -35.10045      62.14167 
1 1 1 -10 5   14 o 340.6484 20.54229 28.41312       4.475465  24.77411       4.180857  23.09778       42.19245 
1 1 1 -10 5   15 o 60.21016 29.15354 -1.108843      3.535957  -4.921764      3.191246  20.62375       51.66928 
1 1 1 -10 5   16 o 255.8528 25.97050 18.40676       4.191648  13.40011       3.948725  44.74292       56.23056 
1 1 1 -10 5   17 f 264.4702 25.24342 14.06895       4.052906  20.15264       4.130511  -55.85443      55.83427 
1 1 1 -10 5   18 f 83.16960 36.38571 0.3265142      3.575720  1.120056       3.561889  -4.473244      58.85782 
1 1 1 -10 5   19 o 97.32993 39.00608 4.213429       3.650036  1.032942       3.514009  22.04315       61.84307 
1 1 1 -10 5   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 6   1  o 239.0698 23.20830 13.51027       3.491871  12.22194       3.312307  12.05748       47.76728 
1 1 1 -10 6   2  o 201.6470 26.96524 8.316480       3.326233  10.09736       3.252021  -20.89923      55.59825 
1 1 1 -10 6   3  o 637.2654 16.07770 86.12891       6.328843  93.17435       6.372548  -25.26379      32.30194 
1 1 1 -10 6   4  o 604.8075 16.27378 79.52538       6.188948  81.84445       6.014709  -8.998047      32.71049 
1 1 1 -10 6   5  o 407.8949 17.68406 37.38336       4.609116  36.28058       4.331581  5.777130       35.65139 
1 1 1 -10 6   6  o 177.7740 31.97726 11.60323       3.686466  4.121848       3.166046  86.71181       59.84065 
1 1 1 -10 6   7  o 308.2505 20.76944 19.17634       4.040415  23.00563       3.862077  -29.42651      42.66138 
1 1 1 -10 6   8  o 277.3982 22.05081 15.01398       3.868500  19.23264       3.666070  -36.48657      46.01793 
1 1 1 -10 6   9  o 842.1426 17.86644 161.0605       9.587484  153.4041       9.098505  19.95197       35.97830 
1 1 1 -10 6   10 o 230.2814 29.95976 9.241385       4.296524  14.74913       4.069393  -57.07838      62.98793 
1 1 1 -10 6   11 o 93.93038 40.01757 0.3843936      3.649273  0.2404088      4.764522  -11.78185      67.34648 
1 1 1 -10 6   12 o 100.0698 39.13947 0.8977708      3.716248  2.295719       3.358742  -7.655968      64.20888 
1 1 1 -10 6   13 o 327.2505 20.41020 24.33972       4.188364  24.22277       4.059936  0.1241150      41.81573 
1 1 1 -10 6   14 o 212.0381 27.95332 10.90729       3.743932  10.54691       3.448770  1.206940       59.14053 
1 1 1 -10 6   15 o 294.2552 21.57431 23.60676       4.152022  17.42296       3.706993  45.48654       45.10970 
1 1 1 -10 6   16 o 83.20166 36.16693 -0.8669061     3.510120  1.833346       3.446559  -16.19278      59.12660 
1 1 1 -10 6   17 o 93.53762 38.32735 -1.600383      3.695609  4.809415       3.412537  -41.72118      60.64663 
1 1 1 -10 6   18 o 107.0441 39.86311 0.9607680      3.715657  5.213363       3.389300  -31.89952      62.86123 
1 1 1 -10 6   19 o 126.8017 41.20242 4.618982       3.805147  5.770942       3.622478  -10.48347      66.90437 
1 1 1 -10 6   20 o 116.0481 50.68693 0.000000       0.000000  5.904809       4.879650  ?              ?        
1 1 1 -10 7   1  o 177.0001 31.92277 8.378752       3.553206  6.288448       3.223072  24.85690       62.20519 
1 1 1 -10 7   2  o 521.9868 16.28449 58.64614       5.322651  61.61135       5.212001  -13.17432      32.75732 
1 1 1 -10 7   3  o 689.7893 16.36602 107.5471       7.199159  102.5933       6.821803  15.97736       32.90557 
1 1 1 -10 7   4  o 247.3406 23.09749 11.72611       3.539851  15.56125       3.467050  -36.81735      48.20065 
1 1 1 -10 7   5  o 432.2726 17.29747 41.19100       4.757317  41.44776       4.510367  -1.757751      34.87567 
1 1 1 -10 7   6  o 467.8293 17.43757 45.68211       5.102507  51.10180       5.002184  -26.81311      35.21335 
1 1 1 -10 7   7  o 133.8140 39.31551 7.270738       3.667132  1.686840       3.316014  61.51245       64.89214 
1 1 1 -10 7   8  o 222.8746 26.68492 13.38118       3.783395  9.540076       3.469098  39.23422       55.36467 
1 1 1 -10 7   9  f 104.0429 39.76554 2.090609       3.731964  1.598580       3.438432  7.338638       65.69343 
1 1 1 -10 7   10 o 384.2136 20.93346 33.65112       5.225152  32.40418       4.749509  6.129944       42.57944 
1 1 1 -10 7   11 o 323.9585 32.29824 24.32732       4.528450  0.000000       0.000000  ?              ?        
1 1 1 -10 7   12 o 80.96944 35.73798 0.4388543      3.718911  -1.041257      3.338261  14.26044       60.21176 
1 1 1 -10 7   13 o 171.2272 35.56807 9.112353       3.924098  5.855104       3.433432  35.29614       67.20532 
1 1 1 -10 7   14 o 138.4005 40.76003 2.966551       3.794502  7.035904       3.678009  -40.03015      67.92919 
1 1 1 -10 7   15 o 122.4294 40.79381 4.061577       3.726052  4.077797       3.538544  0.2069931      67.15762 
1 1 1 -10 7   16 o 168.6463 35.45300 7.132492       3.728263  7.957107       3.467829  -11.80309      67.57787 
1 1 1 -10 7   17 o 144.6069 39.67485 6.902941       3.893915  5.541416       3.473515  10.98976       68.82836 
1 1 1 -10 7   18 o 87.00857 37.65960 -0.6503322     3.869398  2.904596       3.619025  -18.51151      60.13762 
1 1 1 -10 7   19 o 91.62412 38.30877 2.366471       3.847331  1.988419       3.466348  3.546021       60.41111 
1 1 1 -10 7   20 o 80.13213 36.77756 2.110021       5.314540  -0.1849813     3.530634  16.25180       59.78157 
1 1 1 -10 8   1  o 923.1522 18.24429 188.0965       10.56137  188.3081       10.33743  -0.8175659     36.67654 
1 1 1 -10 8   2  o 334.5506 20.19835 24.11537       4.232174  25.53418       4.114727  -10.04697      40.93949 
1 1 1 -10 8   3  o 432.9134 17.82340 37.18503       4.778975  45.71729       4.773334  -45.36526      36.09886 
1 1 1 -10 8   4  o 710.6786 16.88362 109.8832       7.518456  113.0564       7.370008  -10.43762      33.96867 
1 1 1 -10 8   5  o 369.6983 19.08684 27.65720       4.346599  33.05420       4.378364  -33.63647      38.70198 
1 1 1 -10 8   6  o 704.8528 17.13608 108.4644       7.543301  111.3204       7.442693  -9.473999      34.50874 
1 1 1 -10 8   7  o 172.3233 34.21995 7.729198       3.665291  6.333370       3.406748  16.26166       65.28258 
1 1 1 -10 8   8  o 356.3362 20.78030 29.26707       4.825521  27.57195       4.357075  9.701080       42.26202 
1 1 1 -10 8   9  o 201.9879 31.91927 9.898478       4.086925  9.078333       3.678589  7.758682       64.59402 
1 1 1 -10 8   10 o 377.5871 23.69258 31.69620       7.154508  32.25213       4.659112  -13.47678      54.04098 
1 1 1 -10 8   11 f 112.2735 46.69864 1.410334       3.797703  0.000000       0.000000  ?              ?        
1 1 1 -10 8   12 o 206.8957 29.75910 10.94934       3.847028  9.369224       3.585915  15.95894       61.67331 
1 1 1 -10 8   13 o 221.0213 29.01226 10.92053       3.912691  12.33217       3.851534  -15.82729      61.33804 
1 1 1 -10 8   14 o 142.9728 40.00148 5.335189       3.787591  5.602041       3.592782  -2.971161      69.05112 
1 1 1 -10 8   15 o 81.93060 36.03561 2.574592       3.729103  -1.653726      3.381862  28.91282       59.74038 
1 1 1 -10 8   16 o 202.6853 32.47420 11.69080       4.119908  9.811775       3.790927  16.09496       68.05302 
1 1 1 -10 8   17 o 109.5667 40.90539 6.271502       3.935243  1.319504       3.559851  37.80464       65.25578 
1 1 1 -10 8   18 o 91.08333 37.86558 -0.3100726     3.663720  3.877357       3.407372  -25.34860      59.86913 
1 1 1 -10 8   19 o 74.01900 33.98425 0.1978197      3.741900  -0.1476115     3.394625  3.895966       54.86870 
1 1 1 -10 8   20 o 106.3488 44.76225 0.000000       0.000000  4.448122       3.552258  ?              ?        
1 1 1 -10 9   1  o 332.5597 20.80642 21.40855       4.287735  27.69662       4.253917  -43.97968      42.62119 
1 1 1 -10 9   2  o 712.6591 17.33747 109.0674       7.713095  115.1540       7.616807  -19.71283      34.89682 
1 1 1 -10 9   3  o 250.9966 25.28617 13.37762       4.117082  14.79897       3.685488  -14.91916      52.95673 
1 1 1 -10 9   4  o 380.7528 19.43188 32.11701       4.672931  32.27017       4.481880  -1.338318      39.29945 
1 1 1 -10 9   5  o 142.6448 39.08936 9.533177       3.756149  0.9734938      3.393103  92.47183       62.50415 
1 1 1 -10 9   6  o 386.4917 19.86370 37.33354       5.097485  30.17739       4.458986  40.87152       40.21306 
1 1 1 -10 9   7  o 116.5113 40.53830 6.705173       3.776733  -0.2298421     3.427050  68.19798       64.70925 
1 1 1 -10 9   8  o 289.6500 24.46165 17.06928       4.411842  20.61462       4.298606  -29.28375      50.73100 
1 1 1 -10 9   9  o 104.7645 46.20855 -0.5912005     4.146314  0.000000       0.000000  ?              ?        
1 1 1 -10 9   10 o 224.5492 41.25882 0.000000       0.000000  12.22245       3.914067  ?              ?        
1 1 1 -10 9   11 o 126.6050 44.56131 2.571575       3.790149  5.852414       5.245580  -34.76119      75.01798 
1 1 1 -10 9   12 o 90.95444 37.96973 2.701691       3.719195  -0.7140040     3.436608  27.44712       62.69862 
1 1 1 -10 9   13 o 218.3279 30.43475 10.37274       4.132238  12.56224       3.898006  -26.05025      64.37708 
1 1 1 -10 9   14 o 151.8721 38.30482 7.141870       3.717550  5.377550       3.506882  18.19534       68.29354 
1 1 1 -10 9   15 o 131.5415 41.48227 5.184848       3.869676  4.678355       3.700186  4.527130       68.98660 
1 1 1 -10 9   16 o 187.7466 35.98284 7.412266       4.166527  11.61044       3.921033  -48.02769      69.81464 
1 1 1 -10 9   17 o 150.3255 41.09307 9.046262       4.247969  5.521116       3.691883  28.13814       71.02991 
1 1 1 -10 9   18 o 76.67299 34.93193 1.125316       3.759013  -0.8033547     3.572662  10.47012       56.57577 
1 1 1 -10 9   19 o 80.77715 37.02715 -1.580120      3.685527  4.767827       5.007482  -30.83772      60.89446 
1 1 1 -10 9   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 10  1  f 165.7250 36.04672 8.136881       3.899573  5.190087       3.360283  34.50012       66.67300 
1 1 1 -10 10  2  o 82.43443 35.61687 -1.462372      3.497162  0.9423122      3.187689  -12.49575      59.63199 
1 1 1 -10 10  3  o 600.9506 17.48367 88.07502       6.888926  73.43093       6.188579  54.44812       35.18206 
1 1 1 -10 10  4  o 431.3730 19.15022 42.06031       5.274473  40.74978       4.962988  6.274536       38.71215 
1 1 1 -10 10  5  o 198.0347 32.82538 9.975460       4.135995  8.457221       3.685461  15.54231       65.77035 
1 1 1 -10 10  6  o 427.4271 19.53110 40.84443       5.420777  40.56110       4.942015  0.2750244      39.65699 
1 1 1 -10 10  7  o 118.3513 43.02954 4.839026       4.421614  1.306976       3.816029  34.94255       71.13082 
1 1 1 -10 10  8  o 152.9252 41.04070 7.667005       4.257344  4.048460       3.740784  39.17305       71.28996 
1 1 1 -10 10  9  o 312.6143 24.02828 20.91618       4.800057  23.10374       4.465755  -17.94205      49.80565 
1 1 1 -10 10  10 o 183.5776 48.50585 0.000000       0.000000  8.634039       3.963816  ?              ?        
1 1 1 -10 10  11 o 93.89864 39.34263 -0.9103732     3.997147  2.362538       3.724250  -19.23939      64.55525 
1 1 1 -10 10  12 o 143.8508 40.36069 2.446468       3.815449  8.072441       3.682557  -56.55066      66.92135 
1 1 1 -10 10  13 o 262.5539 26.03198 21.76012       4.447472  12.05079       3.962414  83.92664       56.48957 
1 1 1 -10 10  14 f 84.57046 36.76059 0.9424251      3.673512  0.2866074      3.517083  5.308968       59.99566 
1 1 1 -10 10  15 o 97.90749 39.73618 6.580856       4.084395  -1.236230      3.514075  57.87104       64.30967 
1 1 1 -10 10  16 o 86.27112 37.12908 2.994107       3.864449  -0.2088158     3.372046  22.25238       60.23507 
1 1 1 -10 10  17 f 61.01855 29.60596 -1.703218      3.719887  -3.306637      3.317547  9.595451       50.29408 
1 1 1 -10 10  18 o 64.01980 30.77139 -0.2223367     3.747941  -3.303911      3.416076  14.30008       51.66236 
1 1 1 -10 10  19 o 77.02670 34.96249 -1.702012      3.758749  2.772651       3.506938  -19.27055      55.53042 
1 1 1 -10 11  1  o 407.2464 20.12373 34.09694       5.055793  39.76115       5.080253  -32.07779      40.81601 
1 1 1 -10 11  2  o 359.9735 20.50863 27.87646       4.663570  29.83410       4.464180  -13.15176      41.71277 
1 1 1 -10 11  3  o 375.9411 20.28433 37.31186       4.963264  26.76546       4.496909  63.32593       41.21458 
1 1 1 -10 11  4  o 110.0828 40.17115 2.763054       3.733519  2.080264       3.418186  9.117355       66.38950 
1 1 1 -10 11  5  o 87.32945 38.12925 3.150925       4.237973  -2.859064      3.634947  46.88708       64.94614 
1 1 1 -10 11  6  o 173.5614 40.19112 4.320826       4.368181  9.818855       4.125838  -56.49146      71.13799 
1 1 1 -10 11  7  o 218.4570 33.11986 8.039639       4.546324  13.66880       4.172879  -59.58574      67.59652 
1 1 1 -10 11  8  f 57.64521 28.80872 -10.50761      4.550152  -5.734560      4.023036  -6.181152      52.71413 
1 1 1 -10 11  9  o 87.45090 38.35505 -2.559395      4.181580  1.647379       3.818664  -20.93939      63.88097 
1 1 1 -10 11  10 o 374.9510 25.33344 28.75298       7.785766  33.61133       4.891708  -51.71436      63.41693 
1 1 1 -10 11  11 o 155.0165 40.60525 5.738057       4.081755  6.575059       3.830979  -8.846436      71.49910 
1 1 1 -10 11  12 o 236.9580 29.40987 12.39385       4.349735  14.54865       4.120030  -24.56563      63.25642 
1 1 1 -10 11  13 o 89.14077 38.10826 4.693124       4.093679  -1.845340      3.462030  47.65784       63.27043 
1 1 1 -10 11  14 o 235.9860 29.71611 12.81031       4.456644  15.08076       4.076372  -30.00513      65.59699 
1 1 1 -10 11  15 o 276.4568 26.15741 16.45077       4.536385  21.12795       4.335323  -46.07080      58.66520 
1 1 1 -10 11  16 o 158.3189 39.56961 6.830290       4.033729  8.209998       3.733707  -16.82292      70.42580 
1 1 1 -10 11  17 o 181.7449 35.59524 10.60895       4.047021  8.945035       3.713234  11.54773       70.70165 
1 1 1 -10 11  18 o 80.25049 36.25169 2.433183       3.963272  -0.3419199     3.733305  13.48938       57.42665 
1 1 1 -10 11  19 o 85.67831 37.35878 4.648231       3.955726  -0.4324640E-01 3.547830  24.40432       58.58995 
1 1 1 -10 12  1  o 148.6188 40.60562 7.974746       4.048443  3.065815       3.676410  52.75838       69.13799 
1 1 1 -10 12  2  o 196.2733 35.10674 6.954755       4.084229  11.19116       4.151406  -45.95959      68.25906 
1 1 1 -10 12  3  o 240.0345 31.09046 13.23585       4.613204  13.25822       4.433493  -1.059402      64.59612 
1 1 1 -10 12  4  o 403.8659 21.75380 34.42388       5.476166  38.41238       5.384571  -23.16507      44.25110 
1 1 1 -10 12  5  o 319.2492 23.89778 20.58661       4.750850  25.15174       4.647454  -33.93750      49.37358 
1 1 1 -10 12  6  o 109.5911 42.95470 0.3573490      4.379778  3.286429       4.134820  -19.29906      70.37547 
1 1 1 -10 12  7  o 71.93989 34.45218 -4.915127      4.730434  -3.193835      4.105634  1.237617       60.44207 
1 1 1 -10 12  8  o 172.6342 41.50130 10.31595       4.629741  4.997224       4.182748  53.67690       73.71762 
1 1 1 -10 12  9  o 485.9335 20.39239 52.99156       6.309970  53.48705       5.970702  -3.923859      41.56962 
1 1 1 -10 12  10 o 168.9890 40.28780 6.274138       4.598485  7.997685       3.832323  -19.30765      72.99249 
1 1 1 -10 12  11 o 100.3603 40.42753 0.1639581E-01  4.100059  3.193898       3.669275  -18.83553      65.41080 
1 1 1 -10 12  12 o 205.6933 33.78527 11.14211       4.430045  10.32017       3.936234  3.458923       69.84875 
1 1 1 -10 12  13 o 195.2605 34.89475 5.157455       4.072964  15.00054       4.069964  -102.0477      65.22382 
1 1 1 -10 12  14 o 106.9970 41.42091 4.860783       4.300632  1.769473       3.617416  23.92079       66.78970 
1 1 1 -10 12  15 o 75.36913 34.71582 -0.3396894     4.068596  -0.5673219     3.499630  5.564713       56.99505 
1 1 1 -10 12  16 o 134.5405 41.89419 6.799559       4.132148  5.423099       3.652048  8.511978       68.98145 
1 1 1 -10 12  17 o 163.6351 40.04622 8.331457       4.262053  8.907238       3.834427  -11.69063      71.75292 
1 1 1 -10 12  18 o 110.9504 41.87463 8.235576       4.288769  2.370920       3.656798  34.61991       65.07672 
1 1 1 -10 12  19 o 64.06854 31.02994 -7.026987      3.935650  3.315692       3.680964  -31.48865      51.79960 
1 1 1 -10 13  1  o 203.0221 36.04061 10.67710       4.650030  8.869517       4.139670  17.84869       71.10258 
1 1 1 -10 13  2  o 243.4145 30.56386 14.93749       4.714238  12.45454       4.336413  22.33295       63.49529 
1 1 1 -10 13  3  o 273.8342 27.46625 22.81592       4.902988  12.48865       4.351477  86.30746       58.03209 
1 1 1 -10 13  4  o 155.6340 55.93079 5.465488       4.863157  0.000000       0.000000  ?              ?        
1 1 1 -10 13  5  o 342.7800 26.21252 24.14710       5.649130  28.98153       5.420702  -34.36349      54.58874 
1 1 1 -10 13  6  o 286.8475 28.33737 14.68940       4.924338  23.31607       5.030306  -71.47176      60.78128 
1 1 1 -10 13  7  o 319.1079 25.06089 25.54655       5.191348  21.38956       4.688931  27.85147       51.78702 
1 1 1 -10 13  8  o 261.1847 28.91369 13.54358       4.661454  18.24111       4.552845  -44.29861      61.94933 
1 1 1 -10 13  9  f 201.3953 36.36499 11.01060       4.623029  9.247450       4.164629  15.61404       72.41168 
1 1 1 -10 13  10 o 136.3190 43.99309 2.867500       4.487422  6.588804       4.019866  -30.89687      71.99646 
1 1 1 -10 13  11 o 116.6070 42.84543 3.383492       4.357773  3.469585       3.827085  1.579971       69.59281 
1 1 1 -10 13  12 o 125.8007 43.07436 7.064054       4.349575  2.579058       3.798621  37.27234       70.21999 
1 1 1 -10 13  13 o 161.2772 42.16838 6.617849       4.417139  8.674534       4.128470  -21.40991      73.69717 
1 1 1 -10 13  14 o 88.90192 38.75048 2.690835       4.267632  -0.5878354E-01 3.803480  17.44961       62.54915 
1 1 1 -10 13  15 o 112.1463 42.64894 4.209974       4.370029  4.066899       3.875482  0.7750397      66.97796 
1 1 1 -10 13  16 o 86.66323 38.04404 0.9114985      4.296855  2.281006       3.645728  -4.325577      59.50352 
1 1 1 -10 13  17 f 124.5243 42.71605 8.692535       4.435089  3.839631       3.640767  29.92288       68.05643 
1 1 1 -10 13  18 o 222.5068 33.02406 12.92458       4.578980  16.90940       4.276650  -50.72791      72.85442 
1 1 1 -10 13  19 o 59.96827 29.36585 -1.984993      3.966667  -2.116333      3.440835  3.589165       47.92516 
1 1 1 -10 14  1  o 59.87930 29.68761 -6.075243      4.334020  -7.159392      4.024426  7.675095       54.02412 
1 1 1 -10 14  2  o 123.7777 44.03022 6.944028       4.506255  0.4061688      4.034707  58.39962       71.44568 
1 1 1 -10 14  3  o 172.2863 40.66252 6.151194       4.385880  8.254736       4.172709  -21.89622      73.56065 
1 1 1 -10 14  4  o 382.3997 22.85875 35.33020       5.618047  31.05225       5.201195  24.23880       46.68439 
1 1 1 -10 14  5  o 122.7911 44.72877 6.144028       4.724737  1.083262       4.163372  43.90915       73.24162 
1 1 1 -10 14  6  o 270.6138 29.29391 14.36931       4.916255  19.64827       4.765619  -48.30370      62.95492 
1 1 1 -10 14  7  f 408.5246 22.82684 37.00711       5.861960  39.07831       5.666390  -13.05185      46.95652 
1 1 1 -10 14  8  o 105.0005 42.42827 2.690754       4.604709  1.266889       4.004939  14.20249       69.50484 
1 1 1 -10 14  9  o 187.7916 39.53012 9.323677       4.789258  9.033644       4.188812  -0.9836426     75.43416 
1 1 1 -10 14  10 o 101.5045 41.16383 1.099430       4.316293  2.647719       3.809329  -6.831360      66.52973 
1 1 1 -10 14  11 o 128.6151 43.85233 2.073649       4.505321  6.803863       3.937451  -36.55643      69.97979 
1 1 1 -10 14  12 o 72.35120 34.13651 -0.2775633E-02 4.207461  -2.972750      3.813085  15.73814       57.39136 
1 1 1 -10 14  13 o 100.0079 41.33433 2.656605       4.527592  2.247975       3.886806  4.864586       65.76372 
1 1 1 -10 14  14 o 103.6530 41.90285 0.6300969      4.424304  5.261184       3.955908  -26.23857      65.19981 
1 1 1 -10 14  15 o 174.7511 40.65937 7.833028       4.533522  11.48302       4.141696  -39.56787      73.11671 
1 1 1 -10 14  16 o 115.2105 42.66409 7.173671       4.270500  3.385177       3.853174  22.83150       66.22872 
1 1 1 -10 14  17 o 154.0557 43.07391 11.00533       4.469710  7.352522       4.105221  23.02672       71.84146 
1 1 1 -10 14  18 f 100.6571 40.96659 3.781637       4.214894  4.884429       3.845181  -6.628159      61.23576 
1 1 1 -10 15  1  o 91.27820 39.82238 0.1286165      4.516869  -0.2355888     4.023830  7.575020       66.55978 
1 1 1 -10 15  2  o 417.3347 22.44466 40.97377       5.987253  38.06287       5.609453  14.45499       45.85675 
1 1 1 -10 15  3  o 118.5302 43.71670 0.7587101      4.418721  4.971516       4.082041  -30.51706      70.75033 
1 1 1 -10 15  4  o 182.8037 40.08853 9.556922       4.690080  7.399747       4.192587  20.74648       74.88776 
1 1 1 -10 15  5  o 101.2793 41.37496 1.728079       4.403993  1.278179       3.878796  7.735397       67.98098 
1 1 1 -10 15  6  o 80.45413 36.79927 -3.198736      4.360775  0.3112026      3.908983  -12.41291      61.88153 
1 1 1 -10 15  7  o 98.36359 41.25782 -3.205284      4.448062  4.940409       4.067027  -47.36282      66.32282 
1 1 1 -10 15  8  o 95.67098 41.05097 -1.293463      4.754766  2.538188       4.061675  -15.93779      66.68304 
1 1 1 -10 15  9  o 160.0199 43.47526 11.48788       5.039898  4.462821       3.993939  60.99709       75.22696 
1 1 1 -10 15  10 o 86.80356 38.72136 2.959083       4.705170  -1.598014      3.881830  29.42873       64.41046 
1 1 1 -10 15  11 o 76.03146 35.68848 -1.186448      4.744251  -1.431217      3.912178  7.578934       59.30843 
1 1 1 -10 15  12 o 185.1716 40.83191 12.75145       4.874770  7.997598       4.305762  38.41092       76.55664 
1 1 1 -10 15  13 o 122.9089 44.63147 7.848028       4.630858  2.948156       4.189338  32.31805       70.56373 
1 1 1 -10 15  14 o 92.62614 39.83866 1.330775       4.313029  3.070664       3.971515  -7.789322      62.06415 
1 1 1 -10 15  15 o 108.2776 41.93761 3.751319       4.282036  5.024375       3.792045  -8.704803      64.20547 
1 1 1 -10 15  16 o 81.01258 36.63185 -1.506110      4.113251  3.738576       3.778957  -21.13972      57.19507 
1 1 1 -10 15  17 o 71.62052 33.74876 4.897081       4.194338  -3.142090      3.632064  30.71886       54.76592 
1 1 1 -10 15  18 o 69.22600 33.17025 2.317330       4.292166  -1.872418      3.890784  13.46928       52.14602 
1 1 1 -10 16  1  o 206.0053 37.71452 10.83847       4.695978  10.24969       4.589774  5.391769       74.75715 
1 1 1 -10 16  2  o 114.4607 43.51385 -0.4558468     4.374606  5.769525       4.168141  -44.73846      69.60397 
1 1 1 -10 16  3  f 123.9240 44.01368 2.064051       4.460528  5.131841       4.060221  -22.50339      71.46171 
1 1 1 -10 16  4  o 112.4866 42.85456 2.224349       4.343869  3.235262       3.970804  -5.151230      69.65730 
1 1 1 -10 16  5  o 114.3117 43.47712 1.252298       4.413913  4.500814       4.124110  -21.98367      70.10725 
1 1 1 -10 16  6  o 81.42967 37.13199 -1.450999      4.391041  -0.4605294     3.944463  -0.3620911     61.98201 
1 1 1 -10 16  7  f 74.28168 35.06234 -1.264908      4.605201  -2.952053      3.923606  14.02932       59.93390 
1 1 1 -10 16  8  o 104.0122 42.47052 3.952124       4.774111  1.097309       3.997928  21.84310       68.92349 
1 1 1 -10 16  9  o 118.0367 43.78945 3.215695       4.669892  4.624265       3.950771  -8.586716      69.85384 
1 1 1 -10 16  10 o 93.39124 40.68169 -0.2653539     5.021048  2.533274       3.993204  -8.304352      64.73860 
1 1 1 -10 16  11 o 60.60165 30.07580 -8.504384      4.679616  -3.013155      4.034609  -8.173393      52.05207 
1 1 1 -10 16  12 o 82.21970 39.05280 -0.5367894     4.916718  -1.841813      6.056445  -1.745941      62.96171 
1 1 1 -10 16  13 o 107.0475 43.37239 4.933409       4.816999  3.344077       4.204313  8.237648       66.96755 
1 1 1 -10 16  14 o 72.01453 34.43643 0.2052842      4.754807  -1.726804      4.026638  9.593208       55.56578 
1 1 1 -10 16  15 o 107.0971 43.47740 4.674916       4.706984  4.993880       4.338346  -2.459846      65.27483 
1 1 1 -10 16  16 o 82.96875 37.48907 2.495555       4.532530  2.016802       3.791881  2.549416       56.94421 
1 1 1 -10 16  17 o 75.54225 35.22972 3.876937       4.299261  -0.8033938     3.837582  16.67632       54.55359 
1 1 1 -10 16  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -10 17  1  o 120.4940 45.00148 3.216329       4.499972  3.894395       4.539158  -5.072746      72.90836 
1 1 1 -10 17  2  o 103.8168 43.04206 1.061983       4.582351  2.455317       4.502388  -7.895020      69.77666 
1 1 1 -10 17  3  o 80.92856 37.33930 -2.248812      4.352575  -0.3894370     4.381065  -8.781471      62.56700 
1 1 1 -10 17  4  o 96.46891 41.03259 2.194339       4.544442  0.3698306      4.083427  14.15978       66.99349 
1 1 1 -10 17  5  o 145.6970 44.98848 6.278344       4.820096  5.911901       4.192091  2.322769       75.36529 
1 1 1 -10 17  6  o 85.31171 38.19958 3.623875       4.565164  -2.540097      3.850804  38.07597       64.09806 
1 1 1 -10 17  7  o 72.89075 34.51476 -0.7696784     4.488804  -2.848910      3.884081  13.74598       58.32991 
1 1 1 -10 17  8  o 154.6415 44.02266 9.879115       4.835556  5.627657       4.104042  32.02396       75.19730 
1 1 1 -10 17  9  o 143.8643 46.30898 4.940449       5.066463  8.213149       4.393106  -26.84465      74.54517 
1 1 1 -10 17  10 o 86.50459 38.96870 -1.379589      4.632455  2.300999       4.208694  -13.93690      62.37152 
1 1 1 -10 17  11 o 75.15150 35.39380 1.067830       4.793654  -2.185969      3.873196  17.79977       58.50204 
1 1 1 -10 17  12 o 79.59274 38.00378 0.3479572      4.981931  -2.158305      5.568827  4.509605       60.45446 
1 1 1 -10 17  13 o 88.92294 39.80647 2.716585       5.039738  1.917147       4.129417  4.579140       61.27022 
1 1 1 -10 17  14 o 80.70483 37.30965 -0.3323527     4.853730  2.249262       4.039793  -6.613319      57.65374 
1 1 1 -10 17  15 o 60.22289 29.95333 -0.5793155     4.899928  -5.473831      3.996374  15.20503       49.94614 
1 1 1 -10 17  16 o 70.04488 34.23479 -5.271780      6.353724  1.380448       4.163923  -6.749512      52.98000 
1 1 1 -10 17  17 f 71.71387 35.69371 -4.490836      6.800366  2.797510       5.837023  -8.617165      53.87428 
1 1 1 -10 18  1  o 95.93941 44.19742 -2.550629      6.003014  1.919737       6.170140  -16.79116      71.96411 
1 1 1 -10 18  2  o 176.2702 55.54857 8.429610       6.895811  12.61768       6.675611  -27.19116      90.12961 
1 1 1 -10 18  3  o 99.34606 45.08806 0.5799357      6.138613  0.6204537      5.924630  0.8770523      72.32140 
1 1 1 -10 18  4  o 122.0498 50.46705 4.631629       6.552719  4.253515       5.935284  2.626656       78.78205 
1 1 1 -10 18  5  o 80.02623 38.61565 -2.018320      6.069730  -4.159549      5.483220  9.754692       64.34605 
1 1 1 -10 18  6  o 98.44879 44.34633 -1.510875      5.955828  3.577311       5.481659  -17.31507      70.33578 
1 1 1 -10 18  7  o 94.38360 43.38010 0.1142699E-01  5.971011  0.9197578      5.669884  -1.831169      69.10100 
1 1 1 -10 18  8  o 84.64776 40.01222 -2.361707      5.819600  -0.4988698E-01 5.291571  -4.346954      64.69537 
1 1 1 -10 18  9  o 99.25014 45.06580 0.8296132      6.611533  2.958670       5.581523  -4.480476      69.86996 
1 1 1 -10 18  10 f 107.6448 48.18527 5.796395       7.192963  3.126700       6.162298  8.281937       72.73333 
1 1 1 -10 18  11 o 73.50941 36.64529 -1.174429      7.306183  -7.810814      6.242077  14.69924       60.04473 
1 1 1 -10 18  12 o 84.95152 42.70922 -2.536017      7.116414  0.000000       0.000000  ?              ?        
1 1 1 -10 18  13 o 102.5057 46.40244 6.075557       6.906525  5.130601       5.886747  1.065994       67.27016 
1 1 1 -10 18  14 o 81.90868 39.78172 -0.1044951     6.719445  2.599446       6.059929  -4.227020      59.59077 
1 1 1 -10 18  15 o 65.41412 32.96836 4.317077       7.125497  -9.399368      5.559626  21.26633       53.75866 
1 1 1 -10 18  16 o 93.26758 44.11753 10.06928       7.270086  5.335657       6.333088  5.998199       60.92179 
1 1 1 -10 19  1  o 90.21667 42.59166 0.7503058E-01  6.239646  -3.059482      6.235685  9.492668       69.44449 
1 1 1 -10 19  2  o 69.13161 34.64135 -6.961790      6.528472  -10.96873      6.195426  9.779320       60.11648 
1 1 1 -10 19  3  o 89.78877 42.81801 -4.236345      6.646707  0.3849018      6.596819  -12.20394      69.66874 
1 1 1 -10 19  4  o 106.0536 48.01306 0.6359673      6.979120  3.268448       6.606750  -7.524269      75.07375 
1 1 1 -10 19  5  o 91.16160 43.21554 -1.118681      6.588439  -0.7543584     6.507792  -0.6499939     69.20146 
1 1 1 -10 19  6  o 90.56555 43.05393 -6.043118      6.628582  4.447201       6.550692  -27.44793      69.39938 
1 1 1 -10 19  7  o 108.1178 47.87762 7.498640       6.728173  0.7347440      6.038560  23.84882       73.78801 
1 1 1 -10 19  8  o 105.3766 47.33205 -0.8746524     7.299690  6.747255       5.835554  -21.67454      71.42366 
1 1 1 -10 19  9  o 94.88840 44.15243 -0.4032303     7.032443  3.985543       5.761562  -9.551147      67.18905 
1 1 1 -10 19  10 o 72.30495 35.98148 -6.207953      7.564970  -3.085141      5.584055  2.209206       57.93076 
1 1 1 -10 19  11 f 87.75023 42.93518 0.000000       0.000000  1.424134       5.522151  ?              ?        
1 1 1 -10 19  12 o 86.79566 43.73753 -0.4098183E-01 7.697487  0.000000       0.000000  ?              ?        
1 1 1 -10 19  13 o 73.81252 36.49865 4.950543       7.276367  -4.068317      5.426461  17.05033       57.14288 
1 1 1 -10 19  14 o 77.01954 37.80224 -2.962455      6.951891  3.998789       5.648671  -9.732155      56.33629 
1 1 1 -10 19  15 o 72.40984 36.02712 -6.977830      6.940538  5.825501       5.901114  -15.82706      54.23021 
1 1 1 -10 20  1  o 96.71951 42.46418 0.6742697      4.701087  3.430077       5.125312  -13.73125      67.11067 
1 1 1 -10 20  2  f 99.35158 42.47519 3.863319       4.817716  1.307280       4.488957  13.53471       66.79312 
1 1 1 -10 20  3  o 75.66270 36.02435 -0.5893508     4.656038  -2.481587      4.641929  6.378784       58.95270 
1 1 1 -10 20  4  o 73.74444 36.32648 0.000000       0.000000  -4.338274      4.169306  ?              ?        
1 1 1 -10 20  5  o 73.99483 35.35982 -0.1193290     4.865578  -2.573540      4.314855  11.20792       57.94130 
1 1 1 -10 20  6  o 82.93130 38.22626 1.110694       4.775605  0.1592630      4.372655  5.213463       60.49856 
1 1 1 -10 20  7  o 82.80744 37.99197 0.1535057      4.557427  1.618166       4.317878  -4.672127      59.58228 
1 1 1 -10 20  8  o 89.74490 39.73092 4.605365       4.620179  0.6036813      4.163001  17.55539       61.46387 
1 1 1 -10 20  9  o 78.55739 36.48824 -0.7396159E-01 4.432777  1.648124       4.132692  -5.085808      56.79435 
1 1 1 -10 20  10 o 87.59602 39.47022 11.33424       5.199711  -2.920041      4.055873  58.06857       64.41533 
1 1 1 -10 20  11 o 87.17258 40.54966 -4.995474      7.576078  5.327012       4.322784  -19.87392      60.09639 
1 1 1 -10 20  12 o 86.37794 40.79562 4.416383       5.271976  2.841243       6.341422  3.945526       59.15882 
1 1 1 -10 20  13 o 72.39560 34.88708 0.4128805      5.163379  1.073263       4.278713  -0.9336090E-01 52.90761 
1 1 1 -10 20  14 o 72.68609 35.03968 -1.261165      5.172468  3.547868       4.353089  -9.783409      52.21481 
1 1 1 -10 21  1  o 107.1434 45.27966 -1.175652      4.685380  12.37529       5.856686  -62.65167      72.16075 
1 1 1 -10 21  2  o 97.40346 42.92533 0.9058448E-01  4.747354  6.424629       5.419055  -26.43398      66.89989 
1 1 1 -10 21  3  o 70.31804 33.93385 -2.745723      4.366994  -0.8367233     4.528759  -6.674171      55.36179 
1 1 1 -10 21  4  o 64.94269 31.83068 -5.478373      4.344276  -0.4645198     4.353315  -13.64068      52.97923 
1 1 1 -10 21  5  o 64.67166 31.76443 -2.589099      4.414012  -3.446494      4.390688  2.353134       52.31976 
1 1 1 -10 21  6  o 65.35118 32.05174 -1.315590      4.543904  -3.993891      4.327241  8.144569       52.62413 
1 1 1 -10 21  7  o 69.00792 33.53232 0.7810265      4.714771  -3.881181      4.376888  14.21219       54.48529 
1 1 1 -10 21  8  o 66.55863 32.53489 0.9909103      4.665822  -4.586397      4.265651  16.39284       53.23396 
1 1 1 -10 21  9  o 67.42365 32.76668 -2.539249      4.442881  0.2489122E-01  4.235255  -5.805252      52.07516 
1 1 1 -10 21  10 o 64.16016 31.56420 2.385073       4.715178  -4.848700      4.147320  18.78198       51.19239 
1 1 1 -10 21  11 o 69.91866 34.79738 0.000000       0.000000  -1.280843      4.206041  ?              ?        
1 1 1 -10 21  12 o 67.84843 33.83958 -0.7506661E-01 5.252846  -2.895897      6.429383  1.879761       51.64957 
1 1 1 -10 21  13 o 70.57635 34.16613 1.201079       5.061966  1.375539       4.238533  0.3498688      50.94375 
1 1 1 -10 22  1  o 68.30704 33.80875 3.613219       4.990255  -13.40247      5.736495  32.05967       56.92045 
1 1 1 -10 22  2  o 63.63700 31.81419 -4.036573      5.012686  -6.597291      5.451552  2.357910       52.63144 
1 1 1 -10 22  3  o 91.63452 42.05994 4.344391       5.196593  0.7372214      5.723205  10.39041       63.46617 
1 1 1 -10 22  4  o 110.7369 45.93237 4.841210       4.780119  7.390939       5.689015  -7.436729      67.83284 
1 1 1 -10 22  5  o 81.98742 37.98917 1.246591       4.508024  1.937716       4.679302  -2.577110      58.13102 
1 1 1 -10 22  6  o 71.36175 34.59378 -1.036986      4.940858  -0.3504159     4.585416  -0.5051193     54.17099 
1 1 1 -10 22  7  f 82.66187 38.44246 6.415178       4.932768  -1.319424      4.618592  23.53666       58.67989 
1 1 1 -10 22  8  o 71.41178 34.35986 0.6455690      4.643336  -0.2409233     4.330069  3.103401       53.07329 
1 1 1 -10 22  9  o 82.48363 38.20852 6.696304       4.904802  -0.3289790     4.413272  20.85876       57.49610 
1 1 1 -10 22  10 o 76.59540 36.26641 1.592650       4.678747  2.544138       4.495851  -2.374992      53.84815 
1 1 1 -10 22  11 o 73.46782 36.44266 0.000000       0.000000  1.599451       4.464681  ?              ?        
1 1 1 -10 23  1  o 78.61606 37.89948 4.350270       5.053122  -6.097796      6.122229  20.90469       58.97168 
1 1 1 -10 23  2  o 87.58516 41.10089 7.692252       5.127199  -5.531263      6.388778  31.87621       62.32240 
1 1 1 -10 23  3  o 73.71420 35.89352 -2.397807      4.860621  1.745928       5.808361  -11.54665      56.41607 
1 1 1 -10 23  4  o 63.32140 31.52388 -3.566229      4.587616  -3.214438      5.279764  -3.669395      50.93225 
1 1 1 -10 23  5  o 78.34998 37.41504 0.3667367      4.920864  2.399917       5.284234  -5.435158      56.67156 
1 1 1 -10 23  6  o 72.13224 34.90317 1.495571       4.601137  -1.215004      4.986499  5.446640       53.51936 
1 1 1 -10 23  7  o 81.52334 38.07854 7.897890       5.097795  -1.063962      4.481785  24.79972       57.55099 
1 1 1 -10 23  8  o 79.76194 37.38694 3.245588       4.941416  2.504716       4.415671  1.798103       54.87208 
1 1 1 -10 23  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  -23 1  o 105.1561 51.00064 2.475922       9.447581  -11.33083      11.60988  16.95030       81.39422 
1 1 1 -9  -23 2  o 145.6206 63.09552 12.99915       9.950867  3.868662       11.18740  24.84724       94.00166 
1 1 1 -9  -22 1  o 124.8738 57.24344 3.810187       9.092918  0.6494180E-01  11.34638  3.973770       89.53380 
1 1 1 -9  -22 2  o 119.8484 55.66403 1.024988       9.087322  3.091235       11.10713  -8.942177      87.17574 
1 1 1 -9  -22 3  o 146.9097 62.99250 0.4496023      9.435060  19.44323       11.37652  -55.96937      97.96873 
1 1 1 -9  -22 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  -21 1  o 151.2225 64.95174 22.66594       11.39198  -5.634588      10.56306  89.07533       102.1798 
1 1 1 -9  -21 2  o 179.9496 70.15493 18.65269       11.77779  8.673077       10.86198  32.45192       106.9123 
1 1 1 -9  -21 3  o 118.3912 56.16223 -0.4604220     11.42032  -1.013557      10.79658  2.810120       89.03193 
1 1 1 -9  -21 4  o 121.7066 56.43774 -1.656894      10.34854  4.618742       9.988051  -13.93582      88.55019 
1 1 1 -9  -21 5  o 149.7657 59.94107 10.74059       8.678727  5.621388       8.225106  20.21194       92.40907 
1 1 1 -9  -20 1  o 136.9320 61.53894 9.412064       10.97208  -4.013646      10.85454  37.93336       98.13444 
1 1 1 -9  -20 2  o 157.5873 66.00449 8.307255       11.11020  7.344642       10.58915  3.538879       102.1494 
1 1 1 -9  -20 3  o 126.1904 57.81252 -5.731449      10.14062  9.327005       10.29039  -40.04089      92.36369 
1 1 1 -9  -20 4  o 106.6376 49.67150 -5.645589      8.271085  2.803908       7.772392  -22.07745      80.95660 
1 1 1 -9  -20 5  o 138.0270 56.39709 7.153192       7.974049  4.527168       7.362358  11.84846       88.25369 
1 1 1 -9  -20 6  o 97.56347 45.06911 -0.2469256E-01 6.048062  -1.453687      6.797004  0.6091843      73.37816 
1 1 1 -9  -19 1  o 213.2668 81.39756 23.44588       15.33696  11.88542       14.62913  36.00098       125.3494 
1 1 1 -9  -19 2  o 115.1575 52.52673 2.351496       8.342797  -3.555998      8.280889  19.77763       86.16687 
1 1 1 -9  -19 3  o 142.4451 58.51925 8.548437       8.679223  2.150043       7.954154  29.09460       93.18748 
1 1 1 -9  -19 4  o 109.8562 49.87233 0.2041376      7.930456  0.2712546E-02  6.934435  5.864021       81.10889 
1 1 1 -9  -19 5  o 114.6042 50.23467 0.5398939      6.574450  2.960370       7.121483  -12.42200      80.97059 
1 1 1 -9  -19 6  o 97.78816 45.28856 -3.484987      6.073008  2.310357       7.065782  -25.78197      75.18321 
1 1 1 -9  -19 7  o 127.1469 51.74960 -0.1609824     6.176482  9.370425       6.673947  -48.79052      82.34235 
1 1 1 -9  -18 1  o 125.2716 54.14464 -2.567134      7.896752  4.960982       7.526571  -29.57401      88.24702 
1 1 1 -9  -18 2  o 115.2947 50.43166 12.17881       7.449245  -7.387739      6.380917  98.30614       84.10519 
1 1 1 -9  -18 3  o 128.6468 61.39354 -6.755970      14.27215  -3.200524      13.12994  -2.441483      100.4225 
1 1 1 -9  -18 4  o 129.3768 57.86308 4.421086       7.727215  -7.857691      13.71912  8.513535       93.25530 
1 1 1 -9  -18 5  o 103.7473 48.19149 -5.021164      7.652996  1.357413       7.278486  -18.05527      79.48635 
1 1 1 -9  -18 6  o 96.82767 45.58147 -1.510531      6.940053  -3.606755      7.168980  4.941666       75.60676 
1 1 1 -9  -18 7  o 110.3985 47.82114 3.508523       6.402446  0.3188384      5.727509  17.82432       77.32894 
1 1 1 -9  -18 8  o 102.6295 46.26252 1.651961       6.213041  -1.074190      6.227561  10.56362       75.11301 
1 1 1 -9  -17 1  o 298.9342 36.74056 20.79749       6.882567  21.42130       6.475723  -7.859253      78.00221 
1 1 1 -9  -17 2  o 183.5264 52.32214 11.51513       6.499210  6.472977       6.020831  39.86633       89.36218 
1 1 1 -9  -17 3  o 85.94116 40.92432 -3.333201      6.038948  -4.998773      5.970261  6.319016       70.28938 
1 1 1 -9  -17 4  o 79.64732 38.71412 -10.20520      6.077047  -1.874336      6.041675  -24.41500      68.03605 
1 1 1 -9  -17 5  o 179.5255 70.59777 12.02241       11.20472  7.889483       11.85934  15.06744       110.5258 
1 1 1 -9  -17 6  o 172.8962 70.31322 9.942446       11.40345  9.683261       12.29430  0.5557251      108.9419 
1 1 1 -9  -17 7  o 163.4545 56.94121 11.59294       7.513181  5.405058       6.718315  36.20418       91.97556 
1 1 1 -9  -17 8  o 152.5907 56.02576 11.27825       6.993485  2.978041       6.910264  46.26114       88.72118 
1 1 1 -9  -17 9  o 191.3733 52.10524 8.775544       6.494097  12.97915       6.216360  -33.03526      89.45975 
1 1 1 -9  -16 1  o 328.7016 34.69038 30.27012       7.181839  20.25437       6.770023  70.70810       73.51544 
1 1 1 -9  -16 2  o 190.6102 50.98752 6.009042       6.143381  12.34621       6.149097  -52.08972      87.62825 
1 1 1 -9  -16 3  o 239.2717 45.61796 16.92461       6.692689  11.75955       6.367058  43.23000       88.52978 
1 1 1 -9  -16 4  o 148.5803 53.09238 4.290787       5.961195  6.758932       6.442182  -18.17711      86.85682 
1 1 1 -9  -16 5  f 96.22904 43.92688 -0.9122555     5.550344  -1.983238      6.150448  -0.7734604     73.50083 
1 1 1 -9  -16 6  o 396.4289 52.31873 0.000000       0.000000  41.93034       8.875667  ?              ?        
1 1 1 -9  -16 7  f 170.2346 78.54187 7.810691       13.66074  0.000000       0.000000  ?              ?        
1 1 1 -9  -16 8  o 186.1671 81.58015 15.36530       12.73203  0.000000       0.000000  ?              ?        
1 1 1 -9  -16 9  o 193.5312 59.61224 12.74861       8.027440  11.30877       7.702578  7.552490       98.66093 
1 1 1 -9  -16 10 o 94.21085 44.80259 -0.2029168     7.337883  -5.854156      6.972068  18.50726       74.90724 
1 1 1 -9  -15 1  o 127.3769 51.51006 0.6032722      6.571918  3.335625       6.067075  -11.50833      84.79227 
1 1 1 -9  -15 2  o 129.4206 51.41384 8.219638       6.363786  -2.402136      5.985237  67.67682       83.45757 
1 1 1 -9  -15 3  o 122.9063 49.76408 8.622849       6.052197  -3.759694      5.744857  77.19582       80.32611 
1 1 1 -9  -15 4  o 304.0147 34.98468 20.28577       6.211541  23.33732       6.780846  -20.32294      73.99168 
1 1 1 -9  -15 5  o 146.2826 52.54572 9.655966       5.727056  -0.6880481     6.481643  63.51749       82.83895 
1 1 1 -9  -15 6  f 155.2484 53.62747 12.08142       6.093458  -0.1439625     6.476087  79.36691       83.85996 
1 1 1 -9  -15 7  o 111.6400 52.61566 0.000000       0.000000  -3.788645      6.678875  ?              ?        
1 1 1 -9  -15 8  o 110.3395 51.62102 -2.454728      6.226881  0.000000       0.000000  ?              ?        
1 1 1 -9  -15 9  o 219.1212 90.26727 25.12286       14.00294  0.000000       0.000000  ?              ?        
1 1 1 -9  -15 10 o 146.9649 61.56899 6.150609       6.671896  0.000000       0.000000  ?              ?        
1 1 1 -9  -15 11 o 115.2120 50.73867 -3.894902      6.807358  8.240562       7.308155  -50.84071      82.45813 
1 1 1 -9  -14 1  o 153.5435 51.53052 3.822789       5.941606  6.516144       5.646990  -18.65067      85.41833 
1 1 1 -9  -14 2  o 439.7141 40.35948 44.43817       7.697508  0.000000       0.000000  ?              ?        
1 1 1 -9  -14 3  o 128.8089 50.86658 0.8942734      6.078599  4.198154       5.927864  -19.11852      83.46716 
1 1 1 -9  -14 4  o 95.40227 43.55961 -9.627292      5.591984  6.304785       5.888771  -78.95959      74.99992 
1 1 1 -9  -14 5  o 368.8104 29.08641 30.70631       6.348224  31.66732       6.885647  -3.366974      60.37384 
1 1 1 -9  -14 6  f 129.4995 50.28910 0.8220878      5.511464  6.350112       6.102729  -38.50665      82.17805 
1 1 1 -9  -14 7  o 244.5477 46.98721 14.59442       7.239337  16.10453       6.550088  -17.36816      92.30468 
1 1 1 -9  -14 8  o 74.31308 36.36998 -7.186589      5.294217  -5.518150      6.001435  -12.11507      64.32603 
1 1 1 -9  -14 9  o 106.9647 46.41610 5.474026       5.563234  -4.136397      5.864550  44.80319       75.53674 
1 1 1 -9  -14 10 o 267.4718 38.27971 18.02042       6.007576  18.27429       6.347286  1.925034       82.12637 
1 1 1 -9  -14 11 o 126.7225 61.11085 -3.090338      10.15242  0.000000       0.000000  ?              ?        
1 1 1 -9  -14 12 o 86.90781 42.46484 -6.412943      5.347539  0.000000       0.000000  ?              ?        
1 1 1 -9  -13 1  o 612.7159 29.91397 0.000000       0.000000  84.17978       8.015302  ?              ?        
1 1 1 -9  -13 2  o 299.2564 34.08669 18.91570       6.391635  21.63489       6.052264  -22.79111      71.29420 
1 1 1 -9  -13 3  o 509.5848 36.53519 0.000000       0.000000  58.98347       8.112180  ?              ?        
1 1 1 -9  -13 4  o 260.7431 40.84455 13.37125       6.455817  18.41403       6.325435  -44.22473      82.83690 
1 1 1 -9  -13 5  o 221.3055 44.92153 8.065795       5.814124  16.02736       6.108644  -70.66991      83.51577 
1 1 1 -9  -13 6  o 259.6404 37.29865 16.47990       5.725266  15.38147       5.951534  11.20898       77.53107 
1 1 1 -9  -13 7  o 255.1751 37.84992 15.34640       5.831121  15.93011       5.789019  -5.606705      78.62339 
1 1 1 -9  -13 8  o 259.0454 36.01285 13.96249       5.388010  18.97968       5.909386  -41.21330      75.73024 
1 1 1 -9  -13 9  o 132.3266 47.43081 1.008185       4.758142  8.065997       5.149893  -54.36256      76.60728 
1 1 1 -9  -13 10 o 157.9138 48.19188 7.090982       5.098042  6.517529       5.207550  4.690552       81.02996 
1 1 1 -9  -13 11 o 106.5753 44.92149 -0.6985168     5.088860  3.898727       5.053231  -25.24467      72.88365 
1 1 1 -9  -13 12 o 105.5695 47.46669 2.653313       10.16971  -0.2309409     5.153576  33.31306       82.01768 
1 1 1 -9  -13 13 o 173.4276 70.06123 16.91314       10.70533  4.667958       12.89847  39.86911       105.4569 
1 1 1 -9  -12 1  o 159.3485 48.92354 10.86720       5.553128  1.750800       5.077417  79.23380       79.58976 
1 1 1 -9  -12 2  f 459.8033 23.12288 48.30718       6.645566  45.81382       6.504832  12.22998       46.75237 
1 1 1 -9  -12 3  o 317.3261 32.86359 22.87350       6.496624  22.71148       6.260855  0.4223022      68.10948 
1 1 1 -9  -12 4  o 590.9596 31.43230 78.48475       8.118398  0.000000       0.000000  ?              ?        
1 1 1 -9  -12 5  o 656.7371 20.79467 97.37236       8.444914  94.29587       8.476802  10.84039       41.93283 
1 1 1 -9  -12 6  o 166.0439 46.11870 5.705573       4.844162  7.774912       4.998137  -19.49025      79.70911 
1 1 1 -9  -12 7  o 299.6080 29.59900 16.91427       5.361105  24.54090       5.500100  -60.14673      62.84392 
1 1 1 -9  -12 8  o 151.3249 47.36139 5.717499       4.888933  5.760599       4.991150  -0.6816864     79.52718 
1 1 1 -9  -12 9  o 122.2015 46.51743 3.691855       4.875868  2.659199       4.886313  7.128143       75.80283 
1 1 1 -9  -12 10 o 133.3928 48.24929 12.00418       5.926728  -0.2172297     4.584269  94.81435       77.83562 
1 1 1 -9  -12 11 o 132.2498 47.76730 9.945401       5.089334  -0.7191945     4.960948  76.84880       74.84666 
1 1 1 -9  -12 12 o 132.6215 52.96852 4.252829       4.651956  0.000000       0.000000  ?              ?        
1 1 1 -9  -12 13 o 134.2452 48.50475 5.406313       4.867192  4.393515       5.564023  5.350952       78.29846 
1 1 1 -9  -12 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  -11 1  o 468.3128 19.96036 51.24546       5.824983  45.87934       5.746352  26.22632       40.23788 
1 1 1 -9  -11 2  o 158.6062 45.69684 3.215606       4.705378  8.654587       4.776341  -50.59515      76.71091 
1 1 1 -9  -11 3  o 129.1773 44.52156 7.492829       4.315730  -0.4533262     4.333850  67.83324       70.70648 
1 1 1 -9  -11 4  o 444.3656 21.62353 42.22873       5.676372  45.72775       6.250216  -17.10120      43.71905 
1 1 1 -9  -11 5  o 847.7668 28.13307 160.5507       10.44703  0.000000       0.000000  ?              ?        
1 1 1 -9  -11 6  o 424.5288 22.54729 46.26355       6.078424  34.75389       5.766676  61.87927       45.90741 
1 1 1 -9  -11 7  o 76.75571 36.08176 -3.126611      4.262912  -2.820135      4.532009  -4.922195      62.65986 
1 1 1 -9  -11 8  o 284.2622 29.93897 16.40015       5.211466  20.83066       5.188747  -37.52286      63.26522 
1 1 1 -9  -11 9  o 155.5953 46.54375 10.54524       4.611562  0.7576355      5.105615  80.55227       73.60754 
1 1 1 -9  -11 10 o 94.64569 40.98779 -4.227634      4.394323  4.943531       4.472180  -55.54853      67.65768 
1 1 1 -9  -11 11 o 71.49551 34.21925 -3.240886      4.196027  -3.702609      4.438266  -1.053810      59.26430 
1 1 1 -9  -11 12 o 268.6917 32.55452 18.61061       5.252916  16.57657       5.380361  20.00313       70.43518 
1 1 1 -9  -11 13 o 112.6058 45.28709 1.706984       4.838909  3.497108       4.848741  -11.13395      73.11278 
1 1 1 -9  -11 14 o 143.4759 47.66568 3.859500       4.876750  8.004727       5.037034  -31.76417      77.77361 
1 1 1 -9  -10 1  o 422.9315 17.64773 32.84248       4.458084  47.19995       4.800418  -77.31689      35.72686 
1 1 1 -9  -10 2  o 672.2598 23.99948 100.2194       7.065500  0.000000       0.000000  ?              ?        
1 1 1 -9  -10 3  o 646.3820 17.03550 85.12113       6.544218  100.6939       7.144577  -54.28778      34.21319 
1 1 1 -9  -10 4  o 295.0349 22.56332 17.78910       3.974736  21.24857       4.233765  -26.62271      45.97602 
1 1 1 -9  -10 5  o 422.7894 19.91665 41.05611       5.239308  38.16780       5.178733  15.62650       40.17249 
1 1 1 -9  -10 6  o 154.3682 44.76265 3.600804       4.411996  7.824043       4.669144  -41.19687      75.77991 
1 1 1 -9  -10 7  o 85.89344 37.85099 -2.289211      3.940915  1.074803       3.911556  -20.41854      63.82103 
1 1 1 -9  -10 8  o 145.8167 42.05443 5.008103       4.078361  5.201146       3.950633  -1.431839      72.14232 
1 1 1 -9  -10 9  o 224.5504 44.91755 12.45016       4.269529  0.000000       0.000000  ?              ?        
1 1 1 -9  -10 10 o 333.9096 24.54165 23.37816       4.786350  28.20922       5.357440  -30.57202      50.70005 
1 1 1 -9  -10 11 o 312.4792 26.29860 22.32523       4.986726  22.85440       5.116546  -3.110229      54.88583 
1 1 1 -9  -10 12 o 108.8824 43.36655 2.660052       4.269193  1.743746       4.538569  4.274788       70.51646 
1 1 1 -9  -10 13 o 106.3212 43.38325 1.619414       4.333730  2.522717       4.730807  -8.364548      70.48459 
1 1 1 -9  -10 14 o 88.03705 39.42564 4.108306       4.538809  -4.116980      4.339773  44.45144       65.74881 
1 1 1 -9  -10 15 o 311.1162 43.32818 26.24512       5.752612  0.000000       0.000000  ?              ?        
1 1 1 -9  -9  1  o 274.5788 22.25984 18.84033       3.854607  14.90425       3.670103  32.97858       45.50024 
1 1 1 -9  -9  2  o 263.5421 23.34313 18.16168       3.850976  12.99405       3.706606  45.58546       48.27359 
1 1 1 -9  -9  3  o 510.3002 16.77497 56.88351       5.193368  58.05819       5.419657  -5.017029      33.71500 
1 1 1 -9  -9  4  o 268.0486 23.38082 18.05679       3.754495  13.82178       3.950593  37.80133       48.90554 
1 1 1 -9  -9  5  f 206.3424 28.96288 8.713061       3.550768  10.70913       3.662386  -22.07816      59.22239 
1 1 1 -9  -9  6  f 307.1462 22.72122 22.68555       4.359878  19.42695       4.239457  24.39951       46.28456 
1 1 1 -9  -9  7  o 372.6822 20.19447 32.39997       4.694468  29.34700       4.609040  18.73584       40.84300 
1 1 1 -9  -9  8  o 117.5009 44.14796 2.340060       5.786651  2.624678       3.646855  16.88208       75.00626 
1 1 1 -9  -9  9  o 107.1512 43.15413 2.120941       3.648794  -0.6808287E-02 5.980155  -9.051376      72.89211 
1 1 1 -9  -9  10 f 544.7140 18.37680 63.74915       6.129831  68.92935       6.273842  -21.45697      37.16362 
1 1 1 -9  -9  11 o 144.8091 41.75430 9.178473       4.005879  1.630949       3.908558  73.72096       67.67202 
1 1 1 -9  -9  12 o 218.9231 31.59816 12.91390       4.177860  10.05331       4.156364  30.33575       65.81006 
1 1 1 -9  -9  13 o 101.2255 43.87584 5.795072       6.793005  -1.176977      4.242028  53.13429       76.52938 
1 1 1 -9  -9  14 o 148.3093 44.98378 6.816641       4.472158  5.170966       4.524523  14.47476       75.61947 
1 1 1 -9  -9  15 o 113.1237 44.45054 4.630875       4.622322  1.388021       4.506033  21.92833       71.51818 
1 1 1 -9  -9  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  -8  1  o 478.2254 16.84783 52.18789       5.046984  48.89222       4.935201  15.65359       33.87049 
1 1 1 -9  -8  2  o 387.3958 18.08479 32.87295       4.304698  33.45449       4.363817  -3.370728      36.41495 
1 1 1 -9  -8  3  o 165.6610 34.83941 3.956708       3.280651  9.382905       3.687959  -64.02673      63.23251 
1 1 1 -9  -8  4  o 693.9100 16.52261 106.5813       6.970523  105.5835       7.262679  3.596008       33.22653 
1 1 1 -9  -8  5  o 338.8940 19.57139 26.53762       4.126137  24.43250       4.068186  14.23419       39.57315 
1 1 1 -9  -8  6  o 61.52384 29.76508 -7.319287      3.418104  -0.2689399     3.533269  -34.17936      54.37048 
1 1 1 -9  -8  7  o 1288.160 22.39027 383.0862       18.44669  353.8557       17.38350  50.78467       45.04213 
1 1 1 -9  -8  8  o 263.9991 35.45895 0.000000       0.000000  16.03825       4.002367  ?              ?        
1 1 1 -9  -8  9  o 264.7881 29.49666 19.63077       4.168591  9.196609       5.714659  100.2740       69.10676 
1 1 1 -9  -8  10 o 79.39863 35.26101 0.9798787      3.525704  -2.137961      3.420370  21.38795       59.60852 
1 1 1 -9  -8  11 o 118.8242 41.14295 4.805856       3.875320  1.911836       3.537602  28.77759       67.82818 
1 1 1 -9  -8  12 o 452.3107 19.27112 45.99859       5.480783  46.22903       5.312467  -1.985321      39.22215 
1 1 1 -9  -8  13 o 159.0234 39.09018 4.262982       3.754890  8.853150       3.906365  -48.74849      68.74816 
1 1 1 -9  -8  14 o 137.4338 42.68091 8.195979       4.032738  1.942851       4.006600  57.15746       69.21349 
1 1 1 -9  -8  15 o 127.4079 44.42841 4.103301       4.349327  4.557681       4.276311  -3.418533      72.47158 
1 1 1 -9  -8  16 o 390.2011 23.34102 36.73825       5.730482  34.82923       5.522993  9.532227       48.76206 
1 1 1 -9  -7  1  o 884.1741 24.47983 175.3257       13.64960  173.3091       13.18937  4.238403       49.44244 
1 1 1 -9  -7  2  o 164.5961 34.71240 3.611308       3.381069  9.154449       3.486293  -64.90947      62.54022 
1 1 1 -9  -7  3  o 942.6229 25.36855 0.000000       0.000000  197.0036       10.47949  ?              ?        
1 1 1 -9  -7  4  o 568.4504 16.39155 68.66390       5.697283  73.93443       5.853856  -21.06366      32.90390 
1 1 1 -9  -7  5  o 366.0130 18.42930 30.18462       4.151012  29.07409       4.190926  7.047607       37.16707 
1 1 1 -9  -7  6  o 507.3704 16.78343 54.35606       5.156766  59.60783       5.401796  -23.37851      33.73637 
1 1 1 -9  -7  7  o 592.0152 17.31316 78.85300       6.364952  75.95860       6.337621  11.16919       34.79012 
1 1 1 -9  -7  8  o 652.4748 20.92420 92.32173       10.36465  95.36855       7.322792  -16.03375      45.12275 
1 1 1 -9  -7  9  o 429.2795 26.42478 41.38671       4.951570  0.000000       0.000000  ?              ?        
1 1 1 -9  -7  10 o 349.8089 20.33086 26.97998       4.393505  27.72065       4.391810  -4.916229      41.27195 
1 1 1 -9  -7  11 o 139.2284 40.13608 7.552175       3.749698  2.154642       3.568972  56.70462       66.63790 
1 1 1 -9  -7  12 o 172.8272 37.27431 8.549070       4.037968  6.404707       3.736539  22.91597       69.73577 
1 1 1 -9  -7  13 o 186.2020 35.22676 10.52034       4.025321  6.701149       3.822297  41.56638       68.08796 
1 1 1 -9  -7  14 o 234.3364 28.97875 15.31872       4.177414  11.04726       4.070249  42.80533       61.84578 
1 1 1 -9  -7  15 o 97.34216 39.42594 2.500671       3.774771  0.8747670      3.629350  12.83976       64.18366 
1 1 1 -9  -7  16 o 74.28761 34.30587 -1.777705      3.680395  -0.6050627     3.715781  -6.216888      57.58611 
1 1 1 -9  -7  17 o 112.4086 42.09936 4.777710       4.093758  1.884519       3.840308  22.96144       67.94307 
1 1 1 -9  -6  1  o 243.6869 33.00930 15.23563       4.995465  12.31801       4.738009  26.90866       68.25109 
1 1 1 -9  -6  2  o 161.6612 42.59508 6.377170       4.402683  6.043214       4.261836  3.821259       74.84995 
1 1 1 -9  -6  3  o 391.9659 17.08051 31.09498       3.992446  37.25679       4.312120  -35.58060      34.37846 
1 1 1 -9  -6  4  o 317.8429 18.78289 21.27260       3.653571  23.47546       3.720969  -15.88351      37.94820 
1 1 1 -9  -6  5  o 910.3093 17.40540 186.8783       9.915514  178.5454       9.743823  20.77185       34.94322 
1 1 1 -9  -6  6  o 151.8989 34.92955 6.686223       3.218062  4.065332       3.226927  31.76447       63.00605 
1 1 1 -9  -6  7  o 720.4991 16.52069 113.5448       7.313415  115.5671       7.456182  -6.244873      33.20548 
1 1 1 -9  -6  8  o 475.7655 17.76981 44.84422       5.099733  55.80148       5.381936  -52.38626      35.80665 
1 1 1 -9  -6  9  o 73.09980 33.83453 -2.316634      3.540475  -1.675493      3.720848  -6.189743      58.52219 
1 1 1 -9  -6  10 o 374.9427 19.78215 31.43647       4.512945  31.18607       4.660087  1.929657       40.06950 
1 1 1 -9  -6  11 f 162.6682 37.02902 4.766885       3.556625  8.165693       3.756156  -38.59865      67.15395 
1 1 1 -9  -6  12 o 592.9989 17.59383 78.00810       6.356265  79.14597       6.578937  -3.653625      35.57772 
1 1 1 -9  -6  13 o 59.31893 28.93604 -2.557582      3.450843  -5.604497      3.488449  11.51833       51.46315 
1 1 1 -9  -6  14 o 117.6529 40.48575 4.004464       3.530353  2.706808       3.622970  11.39526       66.55868 
1 1 1 -9  -6  15 o 85.29130 37.03280 0.2916754      3.593562  0.4019948      3.683670  -1.594772      60.99738 
1 1 1 -9  -6  16 o 134.1743 41.46869 3.395319       3.726476  6.479652       3.877514  -29.32320      69.08057 
1 1 1 -9  -6  17 o 81.16188 36.25405 0.2129145      3.644152  -0.4865078     3.812429  2.245399       59.77909 
1 1 1 -9  -5  1  o 210.3062 36.45473 11.76059       4.660260  9.119591       4.510454  26.94286       72.12452 
1 1 1 -9  -5  2  o 448.0433 22.43778 41.91186       6.027877  48.13564       6.423567  -31.02686      45.45712 
1 1 1 -9  -5  3  o 374.2634 23.85344 31.45508       5.379105  30.99784       5.648936  3.473114       48.50269 
1 1 1 -9  -5  4  o 105.3036 37.57854 2.563276       2.948275  1.654833       3.275146  5.398384       62.21749 
1 1 1 -9  -5  5  o 424.6955 22.46276 39.98027       4.169605  0.000000       0.000000  ?              ?        
1 1 1 -9  -5  6  o 451.7023 16.27646 41.40267       4.323423  49.51048       4.824028  -40.39810      32.71273 
1 1 1 -9  -5  7  o 479.3018 16.23342 48.25608       4.644644  53.60583       5.015873  -25.04535      32.63696 
1 1 1 -9  -5  8  o 484.1311 24.69522 0.000000       0.000000  52.20682       5.226850  ?              ?        
1 1 1 -9  -5  9  o 117.0108 40.10905 -0.2940259     3.411117  6.452387       3.614838  -66.97945      63.77837 
1 1 1 -9  -5  10 o 572.2340 16.82870 80.37678       6.139772  65.39872       5.808355  59.37817       33.89340 
1 1 1 -9  -5  11 o 291.7730 22.13897 18.49254       3.906797  19.81424       4.051313  -10.04965      45.27289 
1 1 1 -9  -5  12 o 142.1248 38.66735 5.073366       3.450990  4.782991       3.548954  2.945862       67.36026 
1 1 1 -9  -5  13 o 92.90654 38.15488 0.8031994      3.472849  1.372286       3.577300  -5.307785      62.75619 
1 1 1 -9  -5  14 o 136.0837 40.74950 2.449796       3.575612  7.349451       3.856968  -49.68997      67.72433 
1 1 1 -9  -5  15 o 117.2439 39.96276 6.337533       3.487669  0.5645335      3.476311  53.47587       63.79206 
1 1 1 -9  -5  16 o 107.8998 41.54850 3.198900       3.820461  2.019540       4.036302  7.502350       67.20234 
1 1 1 -9  -5  17 o 156.7385 39.42289 7.413329       3.770950  5.948248       3.889521  15.89180       70.23562 
1 1 1 -9  -5  18 o 103.9596 42.53849 1.383965       5.252409  2.838653       3.807910  -1.078392      68.48425 
1 1 1 -9  -4  1  o 172.8720 40.52551 12.81152       4.413150  2.216718       4.139486  106.1374       67.34806 
1 1 1 -9  -4  2  o 109.7990 43.07623 4.776347       4.313348  -0.9563970     4.246401  43.46296       70.17293 
1 1 1 -9  -4  3  o 203.7422 38.24303 6.652211       4.492412  13.34395       4.838636  -67.50117      72.47679 
1 1 1 -9  -4  4  o 831.3849 23.46657 157.1547       12.14187  149.6702       12.03918  20.51166       47.26981 
1 1 1 -9  -4  5  o 271.8136 20.59665 18.71836       3.516189  14.26783       3.381716  37.77867       42.11076 
1 1 1 -9  -4  6  o 185.3598 28.86307 8.218137       3.164984  7.381352       3.258534  10.39610       58.09242 
1 1 1 -9  -4  7  o 176.7846 31.01636 3.771932       3.215912  10.85497       3.342487  -83.72621      58.40661 
1 1 1 -9  -4  8  o 464.2005 17.04460 45.77916       4.852281  49.56543       4.948564  -18.57205      34.29568 
1 1 1 -9  -4  9  o 130.9625 40.70393 2.443791       3.521568  5.583625       3.804930  -34.04215      68.16802 
1 1 1 -9  -4  10 o 201.4106 31.36369 12.10424       3.598941  5.852393       4.017532  69.49303       63.08946 
1 1 1 -9  -4  11 o 416.6742 18.41017 35.17794       4.567011  42.61608       4.949549  -40.10480      37.18342 
1 1 1 -9  -4  12 o 168.3259 34.61340 5.702957       3.400002  7.964020       3.595000  -26.45056      65.24533 
1 1 1 -9  -4  13 o 247.1519 25.24947 14.68787       3.853217  13.42892       3.781303  11.70679       52.81525 
1 1 1 -9  -4  14 o 139.1561 39.58429 6.411773       3.488258  3.264024       3.677506  32.45893       67.04081 
1 1 1 -9  -4  15 o 134.1075 46.95559 4.701280       3.408113  0.000000       0.000000  ?              ?        
1 1 1 -9  -4  16 o 212.9618 30.66081 11.19014       3.867114  11.13466       4.004191  2.218689       64.80334 
1 1 1 -9  -4  17 o 153.1773 40.67166 5.179329       3.772287  7.951667       4.106894  -26.70341      71.14666 
1 1 1 -9  -4  18 f 112.4541 40.77433 4.426455       3.567830  2.179637       3.770870  17.62367       65.69176 
1 1 1 -9  -3  1  o 429.6958 18.17358 42.37592       5.786229  40.26708       4.235299  7.645569       38.29778 
1 1 1 -9  -3  2  o 500.3908 20.83385 56.97291       6.537658  54.79531       6.371041  9.592804       42.13411 
1 1 1 -9  -3  3  o 91.58820 39.41858 1.496427       4.149030  -1.345515      3.958127  20.72947       66.04417 
1 1 1 -9  -3  4  o 350.6698 24.98005 28.39351       5.345953  26.57325       5.452157  12.38370       50.96613 
1 1 1 -9  -3  5  o 93.57245 40.51106 -4.057279      4.213153  3.947911       4.452033  -54.19656      67.98808 
1 1 1 -9  -3  6  o 449.1444 15.98159 43.95847       4.387093  45.03511       4.506495  -5.361572      32.10753 
1 1 1 -9  -3  7  o 421.0656 16.60004 38.54460       4.263607  39.77330       4.394066  -6.525665      33.38343 
1 1 1 -9  -3  8  o 776.1941 16.60339 126.3511       7.777280  140.3514       8.230685  -40.66913      33.36530 
1 1 1 -9  -3  9  o 831.4230 17.47902 145.3332       8.801602  160.6901       9.244253  -41.67798      35.13288 
1 1 1 -9  -3  10 o 690.8433 20.85231 112.3234       7.642170  91.88910       11.19400  76.10901       47.32961 
1 1 1 -9  -3  11 o 92.86452 38.11531 1.111728       3.463391  0.4848350      3.566827  3.514961       63.19958 
1 1 1 -9  -3  12 o 110.7809 39.39121 2.996382       3.366557  2.149439       3.438789  7.318924       64.99509 
1 1 1 -9  -3  13 o 204.4702 29.74911 7.391498       3.464199  12.83466       3.899777  -58.38292      60.71799 
1 1 1 -9  -3  14 o 96.51017 38.34516 2.805521       3.373419  0.2415133      3.489789  19.14010       62.51841 
1 1 1 -9  -3  15 o 99.33153 39.22807 1.528872       3.454151  2.104604       3.697685  -6.557281      64.12453 
1 1 1 -9  -3  16 o 149.0343 39.23003 5.457410       3.558583  6.378017       3.805053  -9.210846      69.10182 
1 1 1 -9  -3  17 o 118.4602 41.31264 4.511005       3.680470  2.824883       3.779020  14.15769       67.30376 
1 1 1 -9  -3  18 o 87.45512 37.48710 1.134988       3.578393  0.6373685      3.694672  2.146416       60.93599 
1 1 1 -9  -2  1  o 157.3058 30.07242 3.759789       2.805970  7.809142       2.849621  -52.66241      56.45066 
1 1 1 -9  -2  2  o 103.2496 40.90788 1.410434       3.875531  1.647638       3.911882  -2.213570      67.48602 
1 1 1 -9  -2  3  o 325.0404 24.22891 20.89278       4.780944  26.81636       4.922380  -42.15909      49.88997 
1 1 1 -9  -2  4  o 357.9771 17.18163 28.21248       3.771584  28.59368       3.837727  -2.319611      34.65887 
1 1 1 -9  -2  5  o 496.6675 21.78708 52.40977       6.579268  57.18999       6.819426  -21.73602      43.94271 
1 1 1 -9  -2  6  o 393.8337 23.86466 37.59237       5.963102  31.64293       5.654863  34.34033       48.34249 
1 1 1 -9  -2  7  o 269.7279 21.00750 15.58342       3.472269  16.77620       3.502384  -10.22766      42.75005 
1 1 1 -9  -2  8  f 523.6663 15.93170 60.00339       5.106298  61.07093       5.234591  -4.504822      32.00827 
1 1 1 -9  -2  9  o 482.7325 19.18932 49.86385       7.170573  52.47142       4.916844  -16.74762      42.07562 
1 1 1 -9  -2  10 o 260.2094 35.44937 15.52088       3.940956  0.000000       0.000000  ?              ?        
1 1 1 -9  -2  11 o 343.5014 20.11677 25.71055       4.185671  26.87558       4.354835  -7.424316      40.75563 
1 1 1 -9  -2  12 f 103.4627 39.15041 2.015613       3.429726  1.831869       3.460524  1.284294       64.49152 
1 1 1 -9  -2  13 o 355.0063 19.43793 32.92511       4.380308  24.08725       4.156939  56.87988       39.78227 
1 1 1 -9  -2  14 f 248.1764 25.80358 17.01580       3.880722  11.44643       3.949188  54.68102       55.63055 
1 1 1 -9  -2  15 o 186.2268 31.63209 8.525242       3.321326  8.280463       3.767909  6.054016       64.01271 
1 1 1 -9  -2  16 o 193.4624 31.33319 7.682695       3.438771  11.13727       3.861362  -36.05420      63.91590 
1 1 1 -9  -2  17 o 135.0747 40.87761 5.951084       3.573148  3.930823       3.880455  19.43663       68.40102 
1 1 1 -9  -2  18 o 84.02808 36.39502 0.4451276      3.417175  0.8600252      3.580626  -3.990021      59.37022 
1 1 1 -9  -2  19 o 118.9047 41.10904 6.225187       3.640278  1.739763       3.738221  37.70437       65.77030 
1 1 1 -9  -1  1  o 205.5205 23.31866 10.06627       2.955169  9.017470       2.886794  11.79128       48.23634 
1 1 1 -9  -1  2  o 294.1617 21.55271 15.67426       4.506992  21.61156       3.494473  -52.14941      48.85592 
1 1 1 -9  -1  3  o 101.9152 41.23958 1.612247       4.063169  0.9162199      4.024825  5.478500       68.12432 
1 1 1 -9  -1  4  o 473.9925 21.60613 47.78665       6.267903  52.50548       6.406544  -22.63403      43.72349 
1 1 1 -9  -1  5  o 596.6495 21.24298 86.89491       8.156630  72.11163       7.575141  55.81573       42.81197 
1 1 1 -9  -1  6  o 988.7320 25.42332 205.8031       15.06233  229.8295       16.15493  -54.04645      51.20589 
1 1 1 -9  -1  7  f 154.4819 33.98616 4.420742       3.156476  6.675373       3.180075  -27.89676      62.28116 
1 1 1 -9  -1  8  o 741.2498 16.17305 113.3840       7.176810  130.1542       7.726751  -51.04773      32.48883 
1 1 1 -9  -1  9  o 361.9816 25.59769 0.000000       0.000000  29.33780       4.038113  ?              ?        
1 1 1 -9  -1  10 o 311.4424 24.85737 23.22188       4.126879  18.68170       5.825881  40.13599       57.35519 
1 1 1 -9  -1  11 o 64.44054 31.10425 -2.715011      3.556849  -5.601389      3.954924  6.179466       55.22207 
1 1 1 -9  -1  12 o 112.0746 39.83811 3.654242       3.435090  1.513529       3.525612  19.10346       65.50281 
1 1 1 -9  -1  13 o 277.5095 22.79799 17.35946       3.800764  17.52459       3.985795  -0.4968872     46.98203 
1 1 1 -9  -1  14 o 74.23012 33.65099 -0.4385446     3.318797  -1.567680      3.375060  5.946091       56.96099 
1 1 1 -9  -1  15 o 105.3295 39.03275 1.231317       3.321234  3.748111       3.457830  -23.02282      63.65662 
1 1 1 -9  -1  16 o 73.31907 33.34591 -0.9454225     3.230628  -0.7395823     3.415212  -3.457603      56.06726 
1 1 1 -9  -1  17 o 158.5574 37.19790 5.190264       3.456950  8.426206       3.751380  -34.30392      67.55787 
1 1 1 -9  -1  18 o 93.17539 38.07796 -0.8659834     3.350618  4.560675       3.644027  -41.45259      61.72528 
1 1 1 -9  -1  19 o 72.87702 33.42743 -1.881246      3.254701  0.7588205      3.633930  -17.62818      55.98534 
1 1 1 -9  0   1  o 84.28168 33.37901 3.588355       2.604136  -1.669222      2.578626  50.92269       53.61500 
1 1 1 -9  0   2  o 214.0674 23.16972 12.46415       3.084928  8.385631       2.973607  44.60860       48.54215 
1 1 1 -9  0   3  o 470.2997 21.07521 45.75938       6.008613  53.36919       6.265005  -36.62521      42.70109 
1 1 1 -9  0   4  o 269.0622 28.55914 16.18688       4.740830  16.76345       4.648421  -5.521881      59.42564 
1 1 1 -9  0   5  o 251.6499 25.36031 19.41172       3.517352  5.941870       4.457292  132.0613       60.45535 
1 1 1 -9  0   6  o 674.3197 21.94943 111.1828       9.576255  91.87560       8.809810  64.42218       44.18799 
1 1 1 -9  0   7  o 632.5562 21.98609 92.35946       8.708892  85.00941       8.522054  26.41223       44.26870 
1 1 1 -9  0   8  o 162.0158 32.99132 6.541850       3.130005  5.583258       3.281111  11.81052       62.29268 
1 1 1 -9  0   9  o 490.0027 22.74385 0.000000       0.000000  53.44213       4.875031  ?              ?        
1 1 1 -9  0   10 o 269.6187 32.43312 16.56302       3.758728  0.000000       0.000000  ?              ?        
1 1 1 -9  0   11 o 317.2033 23.03954 23.28194       4.445810  21.64330       4.561490  12.36642       47.03502 
1 1 1 -9  0   12 o 211.5435 28.54255 9.770976       3.611005  10.77813       3.690317  -10.80527      58.92387 
1 1 1 -9  0   13 o 245.6138 36.47517 0.000000       0.000000  14.31545       3.810470  ?              ?        
1 1 1 -9  0   14 o 375.6690 18.84583 32.85849       4.307385  30.51194       4.451610  15.14896       38.42720 
1 1 1 -9  0   15 o 105.9664 39.58910 2.833391       3.352881  2.003498       3.664412  4.723534       64.60849 
1 1 1 -9  0   16 o 206.5325 30.30038 9.873953       3.619087  10.92377       3.933740  -8.738174      63.42944 
1 1 1 -9  0   17 o 227.2612 27.85428 12.27152       3.811285  12.83636       3.879107  -5.177002      59.91513 
1 1 1 -9  0   18 o 211.1130 30.82480 13.34094       3.923239  9.076085       3.912229  47.05411       64.99310 
1 1 1 -9  0   19 o 69.58882 32.71584 0.4227355      3.568923  -3.630282      3.656115  17.39353       55.10189 
1 1 1 -9  1   1  o 449.8858 14.59956 41.71074       3.961354  48.10032       4.185827  -32.14804      29.35741 
1 1 1 -9  1   2  o 90.28470 36.19573 5.513851       3.817170  -1.163625      2.656921  73.17899       61.31394 
1 1 1 -9  1   3  o 318.0069 24.28739 23.94045       4.840329  21.73568       4.673716  15.59512       49.77797 
1 1 1 -9  1   4  o 390.4938 22.50170 35.41636       5.466021  32.90374       5.389853  14.69901       45.72791 
1 1 1 -9  1   5  o 170.8605 30.70055 7.959743       3.133989  5.528151       3.134614  30.44577       59.67968 
1 1 1 -9  1   6  o 279.1492 28.05826 19.06980       4.906636  16.10657       4.686536  24.36017       57.90466 
1 1 1 -9  1   7  o 549.2736 21.72346 62.28701       7.171021  71.96313       7.624073  -39.75232      43.76266 
1 1 1 -9  1   8  o 227.3904 24.20199 12.65632       3.362545  10.54046       3.360299  21.96930       50.10391 
1 1 1 -9  1   9  f 502.3546 16.61716 53.63390       5.241881  57.82189       5.103165  -19.35385      33.48874 
1 1 1 -9  1   10 o 453.6291 16.79232 42.34209       4.627875  48.95415       4.811754  -33.13721      33.81414 
1 1 1 -9  1   11 o 76.50639 34.46910 -4.249074      3.355485  2.388551       3.548620  -45.49861      59.20719 
1 1 1 -9  1   12 o 111.3000 39.66993 3.231709       3.452724  1.861207       3.451967  12.83286       65.45087 
1 1 1 -9  1   13 o 130.1371 38.33606 2.823773       3.313312  5.278740       3.293835  -26.69878      64.79141 
1 1 1 -9  1   14 o 115.1485 39.11974 0.5824215      3.295284  5.693162       3.378780  -50.38949      63.03207 
1 1 1 -9  1   15 o 113.7967 39.79505 1.203567       3.363399  5.231092       3.568118  -38.32809      64.76115 
1 1 1 -9  1   16 f 224.1675 28.24928 12.20958       3.644447  11.79227       4.073647  8.976456       60.53408 
1 1 1 -9  1   17 o 147.7474 38.85291 2.299485       3.450124  10.20093       3.788831  -81.38754      64.16759 
1 1 1 -9  1   18 o 130.1117 40.71294 5.525695       3.660807  4.059875       3.639444  13.77721       67.71986 
1 1 1 -9  1   19 o 79.55681 35.33896 -1.697994      3.494461  2.204193       3.483799  -22.17067      57.80673 
1 1 1 -9  1   20 o 113.0399 40.64238 -1.084992      3.588693  8.866619       3.676930  -80.63599      61.81153 
1 1 1 -9  2   1  o 413.8675 14.72424 40.68121       3.894904  35.41128       3.663952  28.75153       29.62633 
1 1 1 -9  2   2  o 349.2293 22.59338 31.85054       5.261452  23.99920       4.551761  49.53629       46.01866 
1 1 1 -9  2   3  o 380.5468 22.23550 30.53711       5.284970  34.32385       5.169092  -23.54022      45.39440 
1 1 1 -9  2   4  o 220.3833 32.97572 10.52747       4.312828  12.06504       4.428894  -15.54695      67.35976 
1 1 1 -9  2   5  f 527.4394 30.93862 0.000000       0.000000  62.76415       7.126289  ?              ?        
1 1 1 -9  2   6  o 153.9284 42.38954 5.263545       4.133452  5.863203       4.219373  -6.465210      73.56615 
1 1 1 -9  2   7  o 273.3170 27.84058 15.41216       4.557777  18.27134       4.757402  -24.07574      57.44855 
1 1 1 -9  2   8  o 434.5313 16.23635 41.18496       4.375865  42.19270       4.361750  -5.339996      32.64811 
1 1 1 -9  2   9  o 155.5659 33.81344 8.004252       3.273110  3.586004       3.075475  54.23128       61.01585 
1 1 1 -9  2   10 o 198.4272 28.05305 10.67589       3.354433  7.281611       3.359194  39.52209       57.49919 
1 1 1 -9  2   11 o 354.5167 19.31495 28.17657       4.191525  27.63458       4.272815  3.705719       39.06072 
1 1 1 -9  2   12 o 366.2812 18.93102 32.38837       4.312767  27.39681       4.261209  31.36517       38.41161 
1 1 1 -9  2   13 o 185.2513 31.57102 8.020958       3.447327  8.098495       3.551027  -0.5267181     62.94393 
1 1 1 -9  2   14 o 359.7803 18.92251 29.18026       4.222077  29.01752       4.194584  0.9303284      38.48947 
1 1 1 -9  2   15 f 152.9883 36.48892 3.899899       3.344349  8.072012       3.488448  -47.48846      64.71181 
1 1 1 -9  2   16 o 95.12765 38.01371 -0.5210877     3.284968  4.039381       3.506266  -37.76099      61.81340 
1 1 1 -9  2   17 o 132.4547 38.66865 4.914945       3.297323  4.519654       3.456559  4.202103       65.87526 
1 1 1 -9  2   18 o 146.5826 38.16563 6.565101       3.411195  5.289398       3.604474  14.59793       67.14949 
1 1 1 -9  2   19 o 174.0719 35.04449 8.875734       3.628020  7.567559       3.678576  15.46878       68.01298 
1 1 1 -9  2   20 o 85.02184 36.53146 2.407854       3.442044  -0.1793048     3.493795  15.43822       58.70958 
1 1 1 -9  3   1  o 102.0459 40.35686 2.361523       3.801552  0.6735565      3.764630  13.62179       66.50542 
1 1 1 -9  3   2  o 243.4509 29.83923 11.31757       4.597553  15.59606       4.247487  -43.56061      63.37748 
1 1 1 -9  3   3  o 265.4562 26.45662 16.76958       4.379472  15.32402       4.222066  12.17834       54.90509 
1 1 1 -9  3   4  o 570.8796 15.31864 74.17911       5.512428  70.18089       5.331809  15.71490       30.80472 
1 1 1 -9  3   5  o 124.9637 43.31654 2.198200       4.084394  4.447825       4.108013  -20.08133      71.55710 
1 1 1 -9  3   6  f 815.9760 23.29632 150.7746       11.96193  144.9620       11.60565  15.76355       46.92968 
1 1 1 -9  3   7  o 603.5219 21.89984 81.27354       8.274890  80.17767       8.098373  3.899109       44.11316 
1 1 1 -9  3   8  o 517.2831 15.49273 60.34050       5.122249  57.87486       4.822729  10.53998       31.13928 
1 1 1 -9  3   9  o 420.2679 16.40807 38.33178       4.351953  39.73959       4.191334  -7.965790      33.07750 
1 1 1 -9  3   10 o 293.0616 20.45107 15.39148       3.660353  23.04735       3.729648  -60.79294      42.49336 
1 1 1 -9  3   11 o 256.7626 24.42644 15.43157       3.974245  14.27290       3.725253  9.757492       50.28934 
1 1 1 -9  3   12 f 514.3375 16.77977 58.74567       5.342174  58.54071       5.350820  0.9335632      33.79060 
1 1 1 -9  3   13 o 292.2948 21.17207 16.92561       3.746631  21.68576       3.882656  -37.52097      43.52532 
1 1 1 -9  3   14 o 213.9689 27.54273 9.064484       3.524997  12.35313       3.618913  -35.76683      57.69219 
1 1 1 -9  3   15 o 163.2668 35.78836 8.162506       3.520195  5.159818       3.528541  34.67686       65.97179 
1 1 1 -9  3   16 o 152.2175 37.11258 9.550098       3.475811  2.484561       3.468547  76.83743       62.47910 
1 1 1 -9  3   17 o 163.1632 34.62783 7.102022       3.342340  6.678869       3.452793  5.791794       65.65084 
1 1 1 -9  3   18 o 132.3318 39.33237 0.8984711      3.302505  9.953254       3.653727  -88.61071      61.61458 
1 1 1 -9  3   19 f 108.2985 39.41419 5.721005       3.544461  1.105578       3.324208  39.09854       63.09252 
1 1 1 -9  3   20 o 135.8264 39.34403 6.414918       3.447992  4.607715       3.565572  18.32381       66.41402 
1 1 1 -9  4   1  o 228.3476 31.43546 11.62289       4.350985  12.50641       4.318722  -9.227371      65.05007 
1 1 1 -9  4   2  o 103.2028 40.50169 1.329019       3.733984  2.005709       3.836671  -6.408829      66.72701 
1 1 1 -9  4   3  o 376.0045 16.80625 35.18723       4.050407  28.10922       3.783323  42.60913       33.96663 
1 1 1 -9  4   4  o 290.3536 27.77893 19.13861       5.011405  19.09821       4.876154  -0.2444153     57.52310 
1 1 1 -9  4   5  o 195.1914 37.22120 13.07327       4.404965  4.972285       4.282340  83.89980       68.84765 
1 1 1 -9  4   6  o 274.9464 27.72297 18.94588       4.998822  15.50892       4.388195  27.42624       57.18523 
1 1 1 -9  4   7  o 355.7432 17.73606 30.92841       4.099205  25.56701       3.729997  33.98157       35.75103 
1 1 1 -9  4   8  o 303.7497 19.53322 22.54474       3.743919  18.60198       3.583328  29.68289       39.63015 
1 1 1 -9  4   9  f 234.7575 24.16938 12.64249       3.481376  12.15853       3.457600  4.785355       49.88061 
1 1 1 -9  4   10 o 256.9009 22.62818 15.87322       3.625166  13.79001       3.515806  18.66357       46.46585 
1 1 1 -9  4   11 o 959.2708 18.52552 219.6321       11.48809  190.1778       10.61145  68.74200       37.27975 
1 1 1 -9  4   12 o 101.2703 39.00914 0.8364294      3.602253  2.429820       3.332997  -10.55234      64.14426 
1 1 1 -9  4   13 o 294.4435 21.62751 17.72683       3.979880  21.24410       3.867897  -28.53708      44.69085 
1 1 1 -9  4   14 o 71.70541 32.89427 -4.216826      3.340832  1.488870       3.302762  -32.75165      56.31648 
1 1 1 -9  4   15 o 215.1451 28.06550 9.870913       3.638005  12.08822       3.675056  -24.24423      59.18568 
1 1 1 -9  4   16 o 230.6490 26.86894 9.942074       3.732460  15.63397       3.813672  -58.86440      58.08339 
1 1 1 -9  4   17 f 297.1401 22.48251 22.36157       4.116066  19.10517       4.110494  26.28940       47.45216 
1 1 1 -9  4   18 o 101.9681 38.97679 4.170511       3.481277  1.166404       3.392404  24.04939       62.55510 
1 1 1 -9  4   19 o 120.9381 39.96416 4.395067       3.624564  4.188812       3.359346  1.710579       65.52154 
1 1 1 -9  4   20 o 168.2719 36.10219 6.739602       3.677840  9.318782       3.633625  -28.91847      68.04196 
1 1 1 -9  5   1  o 247.1164 21.64278 11.33196       3.277997  16.17962       3.290434  -46.32396      45.43391 
1 1 1 -9  5   2  o 191.6568 39.12792 6.337087       4.567411  11.13458       4.424634  -49.70131      72.99889 
1 1 1 -9  5   3  o 122.3759 44.99254 8.148313       4.824558  -0.9158449     4.209314  77.31802       72.14919 
1 1 1 -9  5   4  o 315.4967 27.37659 25.11679       5.501984  20.16937       5.127524  35.48605       56.42014 
1 1 1 -9  5   5  o 400.2954 23.81231 39.97754       6.228461  32.31526       5.594713  42.67154       48.29001 
1 1 1 -9  5   6  o 323.7569 18.88811 22.53317       3.877527  23.86673       3.683689  -9.886078      38.30573 
1 1 1 -9  5   7  o 770.3593 16.31593 130.7532       7.822773  130.9830       7.771264  -0.7437134     32.77519 
1 1 1 -9  5   8  o 461.4264 16.06083 46.58648       4.632411  47.46657       4.548965  -4.498535      32.30406 
1 1 1 -9  5   9  o 229.5824 24.34823 11.15672       3.534611  12.51166       3.306300  -14.87921      50.76271 
1 1 1 -9  5   10 o 194.8395 29.66071 8.148349       3.663864  9.193989       3.307281  -13.38655      60.49141 
1 1 1 -9  5   11 o 229.4252 31.84742 14.94352       3.909016  7.088031       5.172486  80.52983       68.24940 
1 1 1 -9  5   12 o 293.2757 22.46220 19.28181       4.040907  19.36966       4.069921  -0.5934448     45.94269 
1 1 1 -9  5   13 o 143.8714 36.88520 3.734698       3.443250  6.128794       3.185839  -26.94441      64.61978 
1 1 1 -9  5   14 o 260.1897 23.33243 12.49919       3.738088  18.46193       3.713908  -55.02557      49.90358 
1 1 1 -9  5   15 o 211.1236 27.82982 10.50017       3.593713  10.65112       3.519533  -2.384583      58.64382 
1 1 1 -9  5   16 o 194.0809 31.38208 7.333422       3.659529  11.36168       3.639126  -46.63986      63.85038 
1 1 1 -9  5   17 f 128.5751 40.15191 5.415359       3.594955  3.743962       3.510582  16.15711       66.93498 
1 1 1 -9  5   18 o 139.0906 39.73154 5.628234       3.586411  5.539838       3.610461  0.9778900      67.90968 
1 1 1 -9  5   19 o 230.5199 27.37038 14.33144       3.957338  12.53654       3.728030  15.05305       60.30276 
1 1 1 -9  5   20 o 180.7774 34.26625 13.66680       3.875993  5.311743       3.549548  86.15674       64.24316 
1 1 1 -9  6   1  o 126.5902 43.94038 2.208638       4.363781  4.698798       4.081643  -19.26551      72.27467 
1 1 1 -9  6   2  o 890.8926 24.81619 183.8358       14.22521  173.2125       13.23084  24.45807       50.32887 
1 1 1 -9  6   3  o 108.8646 42.21455 -2.439622      4.147649  5.951022       3.999571  -63.31277      67.03757 
1 1 1 -9  6   4  o 205.1434 26.68439 8.735550       3.281124  10.39815       3.350600  -18.75763      55.02288 
1 1 1 -9  6   5  o 295.8693 27.53402 0.000000       0.000000  19.68240       3.532298  ?              ?        
1 1 1 -9  6   6  o 296.0758 20.14972 17.49315       3.781823  21.25138       3.583548  -29.99481      41.42184 
1 1 1 -9  6   7  o 350.9906 18.30380 27.95643       4.084325  26.68933       3.867457  7.924866       36.95257 
1 1 1 -9  6   8  o 220.7787 25.59698 7.951846       3.538116  13.74549       3.350934  -62.91075      54.83578 
1 1 1 -9  6   9  o 473.1736 16.51155 49.84672       4.987873  49.32741       4.702767  1.982605       33.28662 
1 1 1 -9  6   10 o 384.2081 19.03640 30.09389       4.674934  35.20697       4.384719  -31.50949      38.90939 
1 1 1 -9  6   11 o 561.0719 24.95846 70.49726       6.127019  0.000000       0.000000  ?              ?        
1 1 1 -9  6   12 o 555.0834 17.05900 65.73922       5.909857  71.04755       5.824963  -22.20184      34.43321 
1 1 1 -9  6   13 o 281.0485 22.72257 21.13129       4.219503  15.43921       3.689124  44.68153       46.81681 
1 1 1 -9  6   14 o 157.1733 36.50837 8.624875       3.505942  3.683073       3.476719  55.97611       64.54242 
1 1 1 -9  6   15 o 303.4430 20.86145 22.48184       4.066534  19.90964       3.757551  17.72293       43.05570 
1 1 1 -9  6   16 o 164.6948 35.88239 9.412329       3.759588  5.164320       3.392558  45.90662       66.37190 
1 1 1 -9  6   17 o 120.1019 39.80385 2.657716       3.625477  5.043852       3.307861  -21.41858      64.95158 
1 1 1 -9  6   18 o 63.87478 30.58313 -0.5881169     3.598793  -3.702471      3.320583  16.10915       52.44162 
1 1 1 -9  6   19 o 240.7493 26.95463 14.67581       4.060487  14.56234       3.859981  -2.777344      59.84824 
1 1 1 -9  6   20 o 167.4104 37.44872 4.784172       3.883904  11.49187       3.705369  -70.42332      65.98497 
1 1 1 -9  7   1  o 688.3595 16.10926 100.6907       6.855138  108.9933       6.902530  -27.57794      32.43997 
1 1 1 -9  7   2  o 309.7964 20.19678 23.18230       4.034043  19.87975       3.706907  23.79272       40.99514 
1 1 1 -9  7   3  o 597.7084 15.88272 74.20664       5.808995  83.89891       5.961222  -36.91882      31.93387 
1 1 1 -9  7   4  o 134.4556 37.21759 3.579010       3.283523  4.804238       3.140681  -13.37531      64.31026 
1 1 1 -9  7   5  o 471.6124 16.59836 52.32131       5.029795  46.35634       4.685124  28.48181       33.37249 
1 1 1 -9  7   6  o 224.4561 25.29137 12.53696       3.599808  10.30861       3.335679  22.49774       52.21453 
1 1 1 -9  7   7  o 447.8492 16.98596 43.45084       4.768711  45.21532       4.654019  -9.233673      34.21651 
1 1 1 -9  7   8  o 225.9059 26.29143 13.16090       3.846204  10.28276       3.421983  28.30838       54.40249 
1 1 1 -9  7   9  o 333.0026 19.45231 24.90899       4.113566  24.51377       3.896708  2.167389       39.45869 
1 1 1 -9  7   10 o 154.0644 42.63347 2.596485       5.984323  6.690444       3.434344  -22.91220      74.65930 
1 1 1 -9  7   11 o 408.6241 29.20884 37.83902       5.200749  0.000000       0.000000  ?              ?        
1 1 1 -9  7   12 o 297.4088 22.57648 20.36379       4.287481  19.57573       3.995890  4.977600       46.32576 
1 1 1 -9  7   13 o 122.7908 39.76452 3.220658       3.584643  3.907672       3.343282  -5.453964      66.37544 
1 1 1 -9  7   14 o 208.1661 29.48529 10.10283       3.857846  10.45974       3.561841  -6.402573      61.67602 
1 1 1 -9  7   15 o 68.55236 32.10358 -0.9991993     3.498454  -2.570674      3.347091  9.828224       54.91920 
1 1 1 -9  7   16 o 140.4742 39.76143 7.937710       3.716441  3.122383       3.531196  48.56799       66.79964 
1 1 1 -9  7   17 o 114.4049 39.86786 4.396196       3.646136  2.909352       3.320928  13.81113       65.04991 
1 1 1 -9  7   18 o 75.14294 34.22058 -0.2892257     3.642818  -0.3086621     3.390745  2.323578       56.18409 
1 1 1 -9  7   19 o 80.17849 35.76085 0.3614742      3.887755  0.5327414      3.385131  2.680145       57.88585 
1 1 1 -9  7   20 o 145.3453 40.52547 6.596719       3.961940  6.945421       3.639605  -6.227287      69.17758 
1 1 1 -9  7   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  8   1  o 588.4414 16.02539 73.80579       5.901234  79.09610       5.788753  -20.78271      32.25025 
1 1 1 -9  8   2  o 520.5699 16.39749 60.92352       5.541553  59.01002       5.067181  7.712524       33.05531 
1 1 1 -9  8   3  o 399.0971 17.67562 35.69209       4.481943  34.84936       4.256878  4.476135       35.63787 
1 1 1 -9  8   4  o 496.2709 16.74118 55.18078       5.252654  53.68674       5.046239  6.613281       33.66687 
1 1 1 -9  8   5  o 279.1650 22.50115 15.99830       4.057148  18.54490       3.695311  -22.38925      46.71742 
1 1 1 -9  8   6  o 364.9758 18.66214 30.94593       4.426842  28.35848       4.024143  15.54510       37.71796 
1 1 1 -9  8   7  o 590.0125 16.48571 79.83250       6.134658  74.28902       5.926349  21.19977       33.13995 
1 1 1 -9  8   8  o 321.6745 20.74876 22.12172       4.251423  23.95633       3.996679  -13.99664      42.39914 
1 1 1 -9  8   9  o 589.0497 16.69095 78.67402       6.273055  75.27786       5.927090  12.53406       33.61172 
1 1 1 -9  8   10 o 277.4700 32.11932 0.000000       0.000000  17.65124       3.837052  ?              ?        
1 1 1 -9  8   11 o 349.7732 25.42885 27.30718       4.856546  28.15655       6.426966  0.6147156      54.34087 
1 1 1 -9  8   12 f 110.4584 44.84159 0.000000       0.000000  1.678138       3.393344  ?              ?        
1 1 1 -9  8   13 o 109.5235 39.49353 2.660946       3.513453  2.563928       3.356940  2.115799       64.96270 
1 1 1 -9  8   14 o 286.1735 22.86604 13.75655       3.915992  24.56504       4.144572  -88.45108      49.54803 
1 1 1 -9  8   15 o 151.7937 38.05347 4.793292       3.619520  7.257237       3.533913  -27.19157      67.42030 
1 1 1 -9  8   16 o 135.2552 40.16218 4.829882       3.739295  5.295184       3.500465  -4.881195      67.96927 
1 1 1 -9  8   17 o 114.3920 40.22255 6.026309       3.682882  1.643009       3.411051  38.15463       64.84729 
1 1 1 -9  8   18 o 125.1830 39.61164 1.821730       3.600318  7.199405       3.309946  -49.58248      63.07779 
1 1 1 -9  8   19 f 200.0299 31.19095 11.52170       3.956357  10.13179       3.562630  8.015839       66.82724 
1 1 1 -9  8   20 o 116.9156 40.74977 4.074843       3.767333  5.110066       3.502268  -8.883911      64.71025 
1 1 1 -9  8   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  9   1  o 462.4767 17.45839 52.37241       5.250246  43.06980       4.781622  45.31763       35.12694 
1 1 1 -9  9   2  o 129.6619 39.71331 6.347192       3.632745  1.674281       3.370946  50.81922       65.64513 
1 1 1 -9  9   3  o 382.0458 18.63423 35.50297       4.682800  29.81002       4.167722  33.27713       37.59285 
1 1 1 -9  9   4  o 109.7066 39.14441 4.046048       3.527401  1.001545       3.218536  32.32995       64.53276 
1 1 1 -9  9   5  o 629.5747 16.91114 87.25006       6.692418  87.90737       6.508365  -2.660950      34.00121 
1 1 1 -9  9   6  o 467.7029 17.93210 48.91001       5.328572  48.05070       5.067142  3.741211       36.15166 
1 1 1 -9  9   7  o 420.0633 18.66655 35.40065       4.956890  42.67899       4.753255  -40.51627      38.06308 
1 1 1 -9  9   8  o 221.3024 27.35274 10.62074       3.783767  11.66590       3.575286  -12.13226      56.99943 
1 1 1 -9  9   9  o 412.5990 19.12761 38.28267       4.997802  37.50398       4.774396  3.798004       38.67873 
1 1 1 -9  9   10 o 150.7556 49.13802 0.000000       0.000000  5.334962       3.730118  ?              ?        
1 1 1 -9  9   11 o 90.70987 38.09089 6.484502       3.850019  -4.204809      3.434485  85.83484       61.50364 
1 1 1 -9  9   12 o 104.3343 39.89334 1.042757       3.711265  2.883657       3.498524  -13.21449      65.28747 
1 1 1 -9  9   13 o 182.9132 32.63980 7.302057       3.641296  8.811339       3.498197  -18.57329      64.65055 
1 1 1 -9  9   14 o 167.9171 35.28189 7.349154       3.636267  6.853423       3.484669  5.007385       66.92044 
1 1 1 -9  9   15 o 153.5775 37.80060 5.917258       3.683352  6.624454       3.478389  -8.683578      67.99770 
1 1 1 -9  9   16 o 131.6904 40.10827 6.429585       3.759209  3.579532       3.408334  27.39170       67.25516 
1 1 1 -9  9   17 o 91.76414 38.01861 5.298117       3.718163  -1.284172      3.385429  47.04942       61.37497 
1 1 1 -9  9   18 o 75.14529 34.24323 -0.5448353     3.691787  0.2859454      3.373123  -1.606857      55.70470 
1 1 1 -9  9   19 o 153.4520 39.66748 6.889239       3.965458  7.696507       3.659575  -11.17003      69.72495 
1 1 1 -9  9   20 o 75.54166 34.18276 -0.5598487     3.668837  1.306297       3.239524  -6.471451      54.55793 
1 1 1 -9  10  1  o 348.0151 19.74113 27.66502       4.239733  26.07540       4.248795  10.56760       39.92393 
1 1 1 -9  10  2  o 838.8956 17.89486 163.0304       9.651743  148.8585       9.006150  37.76068       35.98820 
1 1 1 -9  10  3  o 421.1913 18.21094 40.41496       4.959005  38.32444       4.559687  10.71097       36.75607 
1 1 1 -9  10  4  o 982.1677 19.21926 209.4901       11.76113  217.5320       11.65856  -18.94861      38.68844 
1 1 1 -9  10  5  o 253.8186 25.23732 15.13577       4.082261  13.98223       3.777458  9.590179       52.12222 
1 1 1 -9  10  6  o 250.2965 39.64793 14.71752       4.207994  0.000000       0.000000  ?              ?        
1 1 1 -9  10  7  o 169.9332 37.20876 9.990348       4.078705  4.455254       3.593849  61.50079       67.31252 
1 1 1 -9  10  8  o 94.35257 39.05486 3.925749       4.037079  -1.604081      3.485355  47.85356       65.12441 
1 1 1 -9  10  9  o 243.3164 27.99805 14.69700       4.448775  12.56851       3.902533  18.16960       58.30444 
1 1 1 -9  10  10 o 352.0998 25.71855 26.05625       7.237986  28.87449       4.704737  -30.69037      60.84390 
1 1 1 -9  10  11 o 367.2023 21.19186 29.02882       4.917495  31.53774       4.702966  -16.80145      43.36198 
1 1 1 -9  10  12 o 85.75092 36.91077 -0.1750151     3.696248  0.5182222      3.423571  -1.386208      61.33638 
1 1 1 -9  10  13 o 123.6607 40.71370 4.046943       3.755077  3.613236       3.493965  5.231842       67.66193 
1 1 1 -9  10  14 o 129.7898 40.30181 5.308570       3.658302  3.627142       3.514249  16.79289       67.51321 
1 1 1 -9  10  15 o 193.5228 33.28650 8.329823       3.819475  11.02730       3.885087  -29.71707      67.57611 
1 1 1 -9  10  16 o 89.89122 37.55608 3.886862       3.684510  -0.6724637     3.334365  33.56316       61.10748 
1 1 1 -9  10  17 o 74.05093 34.20604 -0.3960884E-01 3.906093  -1.150504      3.489391  8.732750       56.48883 
1 1 1 -9  10  18 o 187.4702 34.19318 7.557794       3.845599  12.29374       3.814418  -52.47644      67.78725 
1 1 1 -9  10  19 o 77.47453 35.00807 -2.954736      3.680896  3.623615       3.500118  -31.39446      56.42799 
1 1 1 -9  10  20 o 81.31332 35.82735 1.714759       3.656791  1.080023       3.390933  4.318115       56.35811 
1 1 1 -9  11  1  o 136.3738 39.39186 4.284286       3.608132  4.388435       3.435011  -0.1684570     67.58204 
1 1 1 -9  11  2  o 244.5576 25.39347 11.98707       3.753301  15.03249       3.840775  -29.13377      52.70014 
1 1 1 -9  11  3  o 303.0938 22.76036 20.28883       4.355106  20.78659       4.148499  -4.450195      46.51693 
1 1 1 -9  11  4  o 84.89536 36.53841 -2.706688      3.688017  2.091082       3.303682  -27.77208      60.63048 
1 1 1 -9  11  5  o 235.3002 28.02967 9.427401       4.080319  15.61168       3.944946  -62.94365      59.65309 
1 1 1 -9  11  6  o 94.73231 38.65406 5.646950       3.926592  -2.407289      3.323558  71.21533       63.43602 
1 1 1 -9  11  7  o 400.6276 20.88393 31.22920       5.237293  40.25032       5.109295  -52.71747      42.90495 
1 1 1 -9  11  8  o 442.5193 20.25351 42.59740       5.690887  44.60967       5.409649  -11.26236      41.09171 
1 1 1 -9  11  9  o 67.96469 32.60979 -4.871506      4.141266  -2.826559      3.817981  -4.076202      57.40276 
1 1 1 -9  11  10 o 234.2552 30.51280 11.83565       4.602539  13.47289       4.098466  -19.49338      64.38722 
1 1 1 -9  11  11 o 383.7735 21.17817 32.73672       5.215327  33.71431       4.849025  -7.657562      43.40401 
1 1 1 -9  11  12 o 73.25729 33.97249 -1.277508      3.935789  -2.058457      3.473930  9.890152       58.19075 
1 1 1 -9  11  13 o 170.5390 37.48267 5.570382       3.952404  9.149963       3.767976  -39.85469      68.88029 
1 1 1 -9  11  14 o 77.77711 35.21218 2.181477       3.943247  -2.656613      3.413245  32.49476       59.71867 
1 1 1 -9  11  15 o 184.0176 35.52116 7.911963       4.032124  10.07201       3.794453  -26.60648      69.61288 
1 1 1 -9  11  16 o 103.1402 39.95660 1.924903       3.827686  3.472586       3.486293  -9.937874      63.78038 
1 1 1 -9  11  17 o 87.68199 37.75252 2.307188       3.943583  0.7043805      3.527046  11.30140       60.43884 
1 1 1 -9  11  18 o 87.50933 37.27165 0.4682726E-03  3.666865  3.398423       3.448098  -18.78153      58.68341 
1 1 1 -9  11  19 o 68.88400 32.43580 -0.5803861     3.707602  -0.7325264     3.455915  2.310867       52.58815 
1 1 1 -9  11  20 o 77.75503 35.17645 1.306976       3.752488  0.7466454      3.526743  3.422325       55.23809 
1 1 1 -9  12  1  o 218.7392 29.36455 9.170618       4.056705  12.45547       3.731404  -36.42841      61.33498 
1 1 1 -9  12  2  o 260.2403 24.97394 14.03096       4.104112  16.39879       3.870507  -22.52907      52.17067 
1 1 1 -9  12  3  o 79.04012 35.19608 0.2720536      3.590543  -1.688781      3.384025  15.42499       59.76052 
1 1 1 -9  12  4  o 184.6447 35.39799 8.881341       3.969343  7.252699       3.847408  18.13190       68.20863 
1 1 1 -9  12  5  o 137.2439 41.58663 4.877866       4.004689  4.099333       3.704227  9.346970       70.58545 
1 1 1 -9  12  6  o 279.8354 26.13701 18.94087       4.675077  16.70850       4.315619  17.28616       54.02291 
1 1 1 -9  12  7  o 307.7845 24.61083 20.58249       4.842189  22.01768       4.496413  -12.31207      50.86814 
1 1 1 -9  12  8  o 98.57247 40.74846 0.6280982      4.186820  1.155336       3.933676  -0.8523254     67.46622 
1 1 1 -9  12  9  o 136.8751 43.82984 6.101570       4.432708  3.150581       4.015573  29.10194       73.24025 
1 1 1 -9  12  10 o 188.5472 37.43019 7.639797       4.412801  9.537014       4.056369  -21.61263      71.77392 
1 1 1 -9  12  11 o 280.3763 26.24298 14.29173       4.656339  21.70076       4.378888  -66.33293      57.73931 
1 1 1 -9  12  12 o 134.6111 42.12776 4.993711       4.177999  4.500890       3.684396  5.684174       70.78649 
1 1 1 -9  12  13 o 84.27370 36.95222 2.119033       3.897197  -1.398909      3.528811  24.96320       61.40030 
1 1 1 -9  12  14 o 67.10937 32.00455 -2.702290      3.891900  -2.085088      3.534813  1.378716       54.46177 
1 1 1 -9  12  15 o 105.4855 41.02987 5.146983       4.191176  1.261857       3.589206  29.74064       66.16603 
1 1 1 -9  12  16 o 114.8160 41.97962 0.2116179      4.159036  7.023170       3.678105  -49.06035      64.97493 
1 1 1 -9  12  17 o 87.40830 37.73982 0.6687878      3.950511  2.324374       3.552361  -7.197586      59.64189 
1 1 1 -9  12  18 o 69.31508 32.68039 2.017390       3.879234  -3.124534      3.457322  24.02890       54.33915 
1 1 1 -9  12  19 o 89.89582 37.96656 3.142776       3.791998  2.110586       3.494184  5.959190       58.64034 
1 1 1 -9  12  20 o 75.78007 34.71254 -0.9508656     3.861759  2.520520       3.523059  -13.06393      54.20957 
1 1 1 -9  13  1  o 335.6732 22.55005 24.26577       4.850610  26.09303       4.505010  -13.82220      46.26517 
1 1 1 -9  13  2  o 334.0830 22.52418 24.16452       4.781796  25.77465       4.511209  -12.13303      46.11422 
1 1 1 -9  13  3  o 386.8841 21.53568 31.14194       5.236835  35.62332       5.063540  -27.41602      43.95755 
1 1 1 -9  13  4  o 107.7455 41.62592 1.458812       4.081939  2.337147       3.826272  -4.359589      68.54253 
1 1 1 -9  13  5  o 128.6335 42.98355 3.554612       4.081547  3.903510       3.976878  -2.465515      71.52185 
1 1 1 -9  13  6  o 303.2577 25.57978 17.04172       4.765958  24.55317       4.768372  -58.67285      53.91837 
1 1 1 -9  13  7  o 385.6741 36.50206 34.69468       6.101548  0.000000       0.000000  ?              ?        
1 1 1 -9  13  8  o 347.9422 24.63105 21.96460       5.257465  33.08418       5.306675  -75.26755      51.98023 
1 1 1 -9  13  9  o 121.4523 42.98660 -0.2892771     4.218819  6.448689       3.895292  -53.81481      68.24868 
1 1 1 -9  13  10 o 116.9242 42.72112 4.481274       4.303620  1.951231       3.809966  23.84973       70.16949 
1 1 1 -9  13  11 o 249.1539 29.74635 14.09642       4.707431  15.45258       4.329710  -17.02209      63.99349 
1 1 1 -9  13  12 o 122.1317 43.88059 9.047946       4.440310  -0.4998624     4.052238  77.15027       68.99600 
1 1 1 -9  13  13 o 103.8447 40.85273 2.322818       4.126862  2.554747       3.636087  1.070053       65.93253 
1 1 1 -9  13  14 o 129.4027 43.14524 6.478847       4.325099  3.964141       3.836535  19.91401       70.52395 
1 1 1 -9  13  15 f 81.90194 36.72727 -1.842901      4.136593  1.903297       3.638300  -15.02721      59.46223 
1 1 1 -9  13  16 o 110.6920 41.94772 2.226294       4.124372  5.365074       3.810874  -21.19206      65.69162 
1 1 1 -9  13  17 o 124.9252 42.39753 3.184427       4.103155  7.579559       3.756984  -34.37601      66.38719 
1 1 1 -9  13  18 f 81.13320 36.41817 2.725698       4.176826  0.1361033E-01  3.523921  14.99845       57.87206 
1 1 1 -9  13  19 o 81.13124 36.08921 2.776997       3.917800  0.8296679      3.433611  10.20372       56.16927 
1 1 1 -9  13  20 o 91.65920 38.73780 2.601613       4.051689  3.939842       3.568795  -6.990799      58.24202 
1 1 1 -9  14  1  o 100.1214 41.32851 -1.483526      4.390409  2.867886       3.966535  -24.99521      67.91672 
1 1 1 -9  14  2  o 198.6146 36.89561 10.40616       4.655235  8.435873       4.145756  19.73479       71.94581 
1 1 1 -9  14  3  o 144.1697 43.55241 5.117816       4.373040  4.801298       4.086246  4.375259       73.94652 
1 1 1 -9  14  4  o 144.3600 44.40244 4.969417       4.592630  4.979401       4.164155  1.928116       75.10780 
1 1 1 -9  14  5  f 339.9864 24.43642 20.42104       5.164001  31.60735       5.075698  -78.26465      52.02541 
1 1 1 -9  14  6  o 211.6323 33.92369 9.444324       4.463940  11.54877       4.158479  -23.81639      68.84620 
1 1 1 -9  14  7  f 103.6431 42.27412 -0.7245340     4.498821  3.179761       4.106216  -22.59485      69.05418 
1 1 1 -9  14  8  o 281.9970 28.66515 17.98580       5.268840  18.91640       4.673922  -12.41196      61.21975 
1 1 1 -9  14  9  o 213.8491 36.17297 10.10396       5.012253  12.04426       4.319774  -24.71211      73.45584 
1 1 1 -9  14  10 o 161.6138 43.23619 6.236271       4.683868  7.483460       4.194878  -12.66751      75.53513 
1 1 1 -9  14  11 o 97.98614 40.73122 0.4605564E-01  4.446400  2.504660       3.795117  -10.40549      66.02680 
1 1 1 -9  14  12 o 82.54410 37.14012 -3.443298      4.089921  2.601190       3.893454  -29.78071      61.35975 
1 1 1 -9  14  13 o 79.46678 36.06477 -3.500862      4.071100  2.438672       3.673188  -25.94022      59.07543 
1 1 1 -9  14  14 o 168.0690 41.10465 7.749226       4.446727  8.838918       4.076077  -14.10248      73.97287 
1 1 1 -9  14  15 o 82.78413 36.98846 -2.321695      4.064958  3.152080       3.719277  -24.96438      59.37072 
1 1 1 -9  14  16 o 108.0121 42.04346 5.988968       4.233525  2.301721       3.889428  22.90918       65.65613 
1 1 1 -9  14  17 o 83.66737 37.36402 2.131843       4.160566  0.9877613      3.776273  6.364136       58.43825 
1 1 1 -9  14  18 o 96.62777 40.06645 0.4284782      4.073978  6.233205       3.811598  -30.70062      60.90889 
1 1 1 -9  14  19 o 67.02210 32.10128 1.092029       4.114819  -1.959655      3.563796  12.46210       51.62428 
1 1 1 -9  15  1  o 236.2093 34.35631 16.83307       4.903464  9.402723       4.869942  71.92812       70.47280 
1 1 1 -9  15  2  o 172.1778 43.32311 8.995064       4.765889  5.812207       4.491582  31.42496       76.79150 
1 1 1 -9  15  3  o 183.2460 40.73355 10.25906       4.773662  6.563286       4.286143  37.18260       75.05997 
1 1 1 -9  15  4  o 299.7045 26.93130 20.48839       5.162116  20.66117       4.768363  -3.651825      56.25542 
1 1 1 -9  15  5  o 150.0881 43.60938 8.226971       4.705498  3.768235       3.984805  44.14592       74.33609 
1 1 1 -9  15  6  o 95.25362 40.18253 4.326117       4.228890  -2.350178      3.914973  47.89603       66.40491 
1 1 1 -9  15  7  o 248.1700 30.80191 18.72931       4.960573  11.35897       4.374609  65.62994       64.99640 
1 1 1 -9  15  8  o 105.5546 42.23272 3.755094       4.490427  0.5943003      3.942429  26.37092       69.26945 
1 1 1 -9  15  9  o 172.1734 43.15567 11.09975       5.020565  5.613315       4.269535  49.86327       76.61639 
1 1 1 -9  15  10 o 180.6583 42.13342 11.38503       5.139629  7.076398       4.254160  36.22688       77.57089 
1 1 1 -9  15  11 o 83.11921 37.71420 -0.8767271     4.738921  -0.1992376     3.833422  4.676239       62.50749 
1 1 1 -9  15  12 o 114.4320 46.70467 5.499590       4.765134  0.8191869      5.890737  20.96033       72.91972 
1 1 1 -9  15  13 o 72.21351 34.39827 -3.349889      4.536088  -0.9790180     4.010167  -4.204491      57.27192 
1 1 1 -9  15  14 o 77.97120 36.37820 -3.421469      4.412134  1.782489       4.242118  -19.41971      59.52655 
1 1 1 -9  15  15 o 111.5326 43.08900 2.171061       4.402481  6.175402       4.076880  -24.73731      66.58071 
1 1 1 -9  15  16 o 80.67770 36.61259 1.906971       4.231773  0.3499797      3.758783  8.393616       57.69029 
1 1 1 -9  15  17 o 65.31560 31.57230 -4.214628      4.062409  0.4715617      3.734206  -12.62182      51.62801 
1 1 1 -9  15  18 o 106.9541 41.84842 3.082229       4.152038  6.931571       3.918054  -21.94283      62.46386 
1 1 1 -9  15  19 o 72.86646 34.15306 1.620587       4.050796  0.2872363      3.737815  5.280899       52.67552 
1 1 1 -9  16  1  o 164.0060 44.00026 6.074661       4.560068  7.563647       4.577661  -14.29288      76.85160 
1 1 1 -9  16  2  o 259.6566 30.96790 16.02173       4.952689  15.66648       4.829273  2.347824       65.46461 
1 1 1 -9  16  3  o 193.1276 39.30347 5.832405       4.511197  12.76523       4.586235  -69.95071      72.53876 
1 1 1 -9  16  4  o 244.6599 33.60598 9.077538       4.957821  19.63979       4.973580  -99.76038      70.06675 
1 1 1 -9  16  5  o 98.01608 41.17137 -1.654243      4.512096  3.098557       4.005837  -24.99386      67.09521 
1 1 1 -9  16  6  o 92.69054 39.71312 -1.275180      4.292751  2.123516       3.889502  -16.80349      65.15075 
1 1 1 -9  16  7  o 222.2618 34.79945 15.80486       4.954234  9.463553       4.379891  58.99442       71.29051 
1 1 1 -9  16  8  o 74.94203 34.99833 -1.676539      4.255122  -1.933053      3.817073  5.981606       59.36196 
1 1 1 -9  16  9  o 170.6349 43.42556 7.749106       4.958700  8.359869       4.321406  -8.919693      77.28235 
1 1 1 -9  16  10 o 81.46459 37.23939 2.590344       4.703157  -2.794463      3.841064  33.19587       63.15314 
1 1 1 -9  16  11 o 103.9179 43.30733 -0.5135912     6.742055  3.559652       3.747232  -6.968369      68.91846 
1 1 1 -9  16  12 f 79.11059 38.92997 -5.110977      4.747863  0.000000       0.000000  ?              ?        
1 1 1 -9  16  13 o 74.11761 35.22293 -5.994570      4.735393  1.704719       4.131841  -22.58900      58.23424 
1 1 1 -9  16  14 o 86.15369 39.02908 0.6738188      4.851252  1.337660       4.202771  -0.7688141E-01 61.57361 
1 1 1 -9  16  15 o 58.14169 28.98016 -5.975580      4.597300  -3.907689      3.876671  0.7077789      49.06303 
1 1 1 -9  16  16 o 93.25576 40.51950 -0.7368608     4.731603  5.919478       4.066381  -28.14498      61.44116 
1 1 1 -9  16  17 o 89.32835 39.46648 8.067509       4.793915  -0.2869458     3.924649  33.86973       61.27347 
1 1 1 -9  16  18 o 63.12024 31.03839 -2.399127      4.353763  -1.488947      4.139678  -1.179703      49.60745 
1 1 1 -9  16  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  17  1  o 142.7191 45.15566 6.854967       4.566597  3.929411       4.394743  25.75864       75.13528 
1 1 1 -9  17  2  o 127.6167 44.86073 2.838636       4.338758  5.355897       4.468591  -20.67735      73.31296 
1 1 1 -9  17  3  o 211.6866 38.40707 10.88057       4.925372  11.74540       4.792724  -9.804260      76.64491 
1 1 1 -9  17  4  o 127.3117 45.39710 9.757226       4.680717  -0.8224937     4.377731  83.13667       70.84348 
1 1 1 -9  17  5  o 120.3475 44.54295 8.673396       4.563081  -0.9099305     4.269413  73.46283       70.18293 
1 1 1 -9  17  6  o 128.3163 44.02325 3.344108       4.413850  5.291984       4.062036  -14.92232      71.78350 
1 1 1 -9  17  7  o 78.85818 36.48685 0.4972655E-01  4.449474  -2.426905      4.010171  15.64899       61.45695 
1 1 1 -9  17  8  f 73.50236 34.85473 -4.593018      4.511266  -0.4793985     4.056068  -11.65729      58.85230 
1 1 1 -9  17  9  o 111.9116 43.64270 5.229253       4.869431  2.158578       3.999850  22.28061       70.25793 
1 1 1 -9  17  10 o 131.3176 45.78716 3.685392       5.142848  6.875823       4.169109  -23.29562      72.40279 
1 1 1 -9  17  11 o 102.8014 44.03467 4.595995       7.150499  1.965925       4.077744  18.15870       71.55959 
1 1 1 -9  17  12 o 109.4121 46.27388 3.714639       4.704660  3.954499       6.574177  -2.897903      71.82568 
1 1 1 -9  17  13 o 96.74791 40.93525 -3.222850      4.558133  7.285129       3.975730  -52.82668      63.02890 
1 1 1 -9  17  14 o 73.02940 34.59722 0.6774520      4.631096  -1.456618      3.844564  11.25338       55.91858 
1 1 1 -9  17  15 o 71.89015 34.35382 0.1564939E-01  4.847356  -0.8899952     3.917987  6.632996       54.75390 
1 1 1 -9  17  16 o 74.03132 35.19809 -4.086314      4.679760  3.506154       4.176572  -21.01650      55.44528 
1 1 1 -9  17  17 o 70.56308 33.92282 0.3584597      4.718665  -0.1143775     4.046384  3.114410       52.60237 
1 1 1 -9  17  18 o 71.43800 34.22171 3.417906       4.811049  -0.9047504     3.974576  12.57169       52.64279 
1 1 1 -9  18  1  o 99.78932 42.31160 2.294487       4.503109  0.3509949      4.583896  10.57322       68.69129 
1 1 1 -9  18  2  o 75.81454 35.91372 -6.132230      4.462654  1.127851       4.550680  -30.27977      61.80828 
1 1 1 -9  18  3  o 121.5189 45.66261 7.094230       4.667145  0.5286667      4.668919  45.51473       72.70036 
1 1 1 -9  18  4  o 155.0903 46.28841 5.138258       4.837804  8.685863       4.745434  -29.94104      77.37374 
1 1 1 -9  18  5  o 84.78766 38.68125 5.749742       4.664768  -6.164905      4.369832  60.72759       65.46049 
1 1 1 -9  18  6  o 217.5973 37.55337 11.83933       5.032347  13.44415       4.751407  -20.04628      77.20389 
1 1 1 -9  18  7  o 97.74066 41.58162 6.145489       4.670931  -1.670989      4.193051  46.47414       67.34319 
1 1 1 -9  18  8  o 113.1439 43.16215 2.637084       4.615213  4.605960       3.892576  -11.80493      68.20350 
1 1 1 -9  18  9  o 72.56715 34.55936 -2.609475      4.647637  -1.443353      3.994434  1.074722       57.45896 
1 1 1 -9  18  10 o 122.0201 45.08317 4.240383       4.746830  5.520437       4.310710  -8.751038      70.91081 
1 1 1 -9  18  11 o 86.27246 40.00924 6.762585       7.354886  -1.698529      4.147558  36.85852       68.10616 
1 1 1 -9  18  12 o 108.6497 47.20924 8.267771       5.488039  -0.2800019     6.474988  30.42577       70.77929 
1 1 1 -9  18  13 o 74.29259 35.23240 -0.8167989     4.761988  -0.1264766     4.045616  1.092323       56.10093 
1 1 1 -9  18  14 o 83.80489 37.97906 4.690741       4.817249  0.1162979      3.857871  18.93232       59.22604 
1 1 1 -9  18  15 o 66.67080 32.33332 -5.574945      4.519432  1.857883       3.880480  -17.33121      52.05317 
1 1 1 -9  18  16 o 58.16541 29.01922 -2.329536      4.656417  -4.072805      3.926004  7.053780       47.37157 
1 1 1 -9  18  17 o 58.72473 29.27414 0.3914669      4.879389  -4.839352      3.860982  14.35194       47.88389 
1 1 1 -9  19  1  o 74.62264 36.36288 -6.695725      4.643321  0.3283028      6.861625  -36.07734      65.37534 
1 1 1 -9  19  2  o 169.8822 57.86992 8.656882       7.278564  12.55404       7.324594  -20.87642      91.39108 
1 1 1 -9  19  3  o 123.1620 53.53050 13.18636       8.552624  -1.354207      6.933617  53.89395       85.48316 
1 1 1 -9  19  4  o 103.4322 46.24226 -2.650899      6.102430  5.896290       6.047992  -32.54816      73.65426 
1 1 1 -9  19  5  o 97.84386 44.64122 0.6859487      6.089200  0.8989990      5.930960  -0.9040833E-01 71.02388 
1 1 1 -9  19  6  o 176.2436 57.17854 7.845584       7.250085  15.78961       7.048761  -45.20863      89.95941 
1 1 1 -9  19  7  o 97.99570 44.68940 0.9853948      6.351386  1.258464       5.722438  1.330414       70.62216 
1 1 1 -9  19  8  o 82.24668 39.36287 -4.362686      5.927312  0.3121879      5.504415  -10.88128      64.03066 
1 1 1 -9  19  9  o 108.4153 47.47123 6.856959       6.639868  1.624133       5.651299  19.82716       73.26987 
1 1 1 -9  19  10 o 97.49503 44.64659 4.979220       6.551907  0.4727810      5.702340  14.97277       68.92226 
1 1 1 -9  19  11 o 99.22832 47.70188 0.000000       0.000000  3.169979       6.072616  ?              ?        
1 1 1 -9  19  12 o 81.26129 39.70718 -6.566239      6.786572  4.808421       6.453690  -20.40845      62.08877 
1 1 1 -9  19  13 o 79.65845 39.00184 2.427109       7.186753  -2.032843      5.942009  9.869675       60.11006 
1 1 1 -9  19  14 o 74.43018 36.87108 -1.914948      6.654177  -1.272357      6.142709  0.9706879E-01  56.99846 
1 1 1 -9  19  15 o 78.12868 38.27792 1.037506       6.713996  2.048159       5.902540  -1.112282      56.65815 
1 1 1 -9  19  16 o 64.58115 32.56001 -4.012354      6.554148  -2.982665      5.689104  0.7100220      50.63721 
1 1 1 -9  19  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  20  1  o 104.3188 46.62827 -1.085496      4.933525  12.96417       9.367293  -55.58008      80.89065 
1 1 1 -9  20  2  o 113.1536 50.72211 1.027507       6.365046  7.523127       9.044096  -23.63919      80.24531 
1 1 1 -9  20  3  f 118.4341 51.81756 5.602200       6.655822  2.637740       8.008800  8.398857       79.28758 
1 1 1 -9  20  4  o 85.41473 41.11375 1.181299       6.815105  -5.138157      6.098610  19.48824       67.54031 
1 1 1 -9  20  5  o 74.99471 36.91082 -6.166228      6.199854  -3.480619      5.900210  -4.154396      61.35239 
1 1 1 -9  20  6  o 113.6085 49.31821 1.863923       6.702872  6.817564       6.222216  -17.56091      74.94462 
1 1 1 -9  20  7  o 93.08947 44.08752 -1.517034      7.093721  2.284758       6.510904  -7.802361      68.64158 
1 1 1 -9  20  8  o 79.40520 38.90617 -7.426436      6.756484  1.151347       6.235442  -15.24252      62.67253 
1 1 1 -9  20  9  f 77.79307 38.24149 -1.021264      6.632332  -4.136005      6.234137  7.312561       61.05157 
1 1 1 -9  20  10 o 81.41046 39.76242 2.051003       7.171196  -2.917808      6.164244  11.46246       62.10283 
1 1 1 -9  20  11 o 74.76907 37.83075 0.000000       0.000000  -6.060358      6.111461  ?              ?        
1 1 1 -9  20  12 o 68.78314 34.75465 -11.59240      7.429960  -1.666505      6.890319  -9.910126      55.70277 
1 1 1 -9  20  13 o 77.81863 38.32554 5.157954       8.103632  -2.008180      5.646620  12.87415       58.62834 
1 1 1 -9  20  14 o 88.08842 42.49848 2.732662       7.994785  7.105289       6.247978  -8.111198      60.02667 
1 1 1 -9  20  15 o 73.78085 36.66713 2.287024       7.763270  0.2966724      5.717291  3.579582       54.31458 
1 1 1 -9  20  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  21  1  o 81.99285 38.77055 -2.845635      4.647632  2.628783       6.032893  -23.66334      63.92633 
1 1 1 -9  21  2  o 84.62732 39.58578 -3.124609      4.659765  4.754598       5.911217  -31.76849      65.27211 
1 1 1 -9  21  3  o 64.39579 32.02541 -1.718246      4.696019  -10.35628      5.375055  14.10508       54.45462 
1 1 1 -9  21  4  o 92.36417 41.69049 5.371656       4.949189  -2.264918      5.202194  28.37020       65.36566 
1 1 1 -9  21  5  o 83.63401 38.33786 -2.151090      4.294436  4.297391       4.739702  -27.30963      61.58723 
1 1 1 -9  21  6  f 66.32307 32.44566 -1.015429      4.536770  -4.675839      4.375907  10.99545       53.83232 
1 1 1 -9  21  7  o 64.59624 31.62618 -4.618599      4.289626  -0.9468857     4.225958  -9.608292      52.26490 
1 1 1 -9  21  8  o 63.20287 31.16390 -5.792126      4.425066  -0.6568657     4.326797  -12.06691      51.56977 
1 1 1 -9  21  9  o 90.10957 40.03818 4.236609       4.689198  1.628981       4.300124  10.42764       60.83758 
1 1 1 -9  21  10 o 69.51759 33.58997 2.809329       4.713677  -3.941665      4.124697  21.54518       54.64251 
1 1 1 -9  21  11 o 111.3131 46.87252 1.508203       7.714931  9.149536       4.516697  -31.22127      65.95998 
1 1 1 -9  21  12 o 72.51437 34.90347 3.815686       4.904002  -1.886405      4.399871  14.97158       53.86082 
1 1 1 -9  21  13 o 64.02130 31.46321 -1.502808      4.602732  -0.8033633     4.116366  0.4928589E-01  49.19065 
1 1 1 -9  21  14 f 70.02892 33.97804 1.183119       5.025557  0.8609147      4.286642  1.531532       50.98713 
1 1 1 -9  21  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  22  1  o 90.61320 41.64500 3.487643       4.890831  -1.694269      5.990483  13.63046       64.64606 
1 1 1 -9  22  2  o 96.45409 43.59296 3.467770       5.046620  1.247392       6.286021  5.347221       66.65804 
1 1 1 -9  22  3  o 77.69115 37.40891 -2.504233      4.857637  0.7859593      5.978664  -12.96941      60.27125 
1 1 1 -9  22  4  o 92.02670 41.62627 2.358541       4.686898  2.298099       5.610586  -1.263016      63.82143 
1 1 1 -9  22  5  o 80.58269 38.14149 -3.681154      4.738463  5.449743       5.464391  -29.63710      61.47821 
1 1 1 -9  22  6  o 88.01822 40.55465 2.283525       4.835288  1.625102       5.476382  1.033195       61.90997 
1 1 1 -9  22  7  o 78.31796 36.91229 0.6454828      4.647879  0.4234155      4.650903  0.6722107      57.43380 
1 1 1 -9  22  8  o 84.55260 38.72158 4.815449       4.686297  -0.3100071     4.473812  17.91521       59.28027 
1 1 1 -9  22  9  o 75.08688 37.10273 0.000000       0.000000  -0.6090702     4.467139  ?              ?        
1 1 1 -9  22  10 o 67.64603 32.93691 0.3075931      4.500754  -1.348308      4.376306  4.311256       51.28419 
1 1 1 -9  22  11 o 82.72412 38.89920 -2.033459      5.497319  7.205863       4.795530  -22.85815      57.48753 
1 1 1 -9  22  12 o 59.34960 29.73960 -3.493373      4.969404  -2.606457      4.442706  0.3710327      47.12400 
1 1 1 -9  22  13 f 65.79822 32.37556 1.150113       4.861083  -0.8424572     4.446224  4.448975       49.11973 
1 1 1 -9  23  1  o 74.16388 36.09465 -5.199432      4.656125  5.195546       6.358804  -30.39135      60.23934 
1 1 1 -9  23  2  o 83.50518 39.73293 1.191694       4.994998  0.4976625      6.614351  -1.487663      61.05244 
1 1 1 -9  23  3  o 69.41872 34.31627 -2.266046      4.784442  -3.841368      6.416675  -3.248650      55.03016 
1 1 1 -9  23  4  f 99.20624 44.19251 2.700878       4.924763  8.220578       6.326939  -14.80598      65.48688 
1 1 1 -9  23  5  o 75.92106 36.70289 -0.8685289     4.770341  1.458412       5.933858  -7.813927      56.94061 
1 1 1 -9  23  6  o 73.50650 35.92542 2.692927       5.327920  -4.003685      5.521883  13.17197       55.87154 
1 1 1 -9  23  7  o 78.08319 37.25554 1.720449       4.669380  0.7766058      5.481072  1.162735       56.32076 
1 1 1 -9  23  8  f 80.29106 38.03903 2.241036       4.890383  2.102038       5.244454  0.1396103      56.63089 
1 1 1 -9  23  9  o 64.75006 31.87558 -1.688380      4.529924  -0.8238987     4.502144  -1.735489      49.85107 
1 1 1 -9  23  10 o 66.20945 32.46266 -2.886400      4.672029  1.996042       4.409566  -9.608093      50.00425 
1 1 1 -9  23  11 o 70.80517 34.64304 -2.945086      6.460638  3.124273       4.325427  -8.012825      51.38587 
1 1 1 -9  24  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -9  24  2  o 80.61087 39.34000 -4.626008      6.839820  4.775066       6.091938  -15.54463      59.91235 
1 1 1 -9  24  3  o 72.90028 35.79548 -3.956841      5.095910  3.638342       6.227763  -17.02710      56.49272 
1 1 1 -9  24  4  o 74.31246 36.33305 1.271766       5.121861  -2.032899      6.138011  4.261505       55.54655 
1 1 1 -9  24  5  o 77.84653 37.64823 2.545079       4.957173  -0.5657589     6.409705  4.512253       56.35980 
1 1 1 -9  24  6  o 61.83707 31.08017 -7.075011      4.742664  1.422736       6.150208  -16.97467      50.76485 
1 1 1 -9  24  7  o 74.81558 37.73493 -0.1155362     6.857889  0.2330646      10.88860  -2.362114      55.81448 
1 1 1 -9  24  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  -24 1  o 138.3347 61.32488 1.153642       10.35260  15.74214       10.55990  -35.84949      91.89077 
1 1 1 -8  -23 1  o 118.3960 57.46515 5.993298       13.35310  -6.525644      13.09442  17.89709       89.16990 
1 1 1 -8  -23 2  o 119.0203 57.41562 -11.85437      11.75268  16.99125       13.91895  -48.55777      92.50978 
1 1 1 -8  -23 3  o 134.7792 65.33520 0.000000       0.000000  5.972962       11.98715  ?              ?        
1 1 1 -8  -22 1  o 127.8854 59.46881 -1.282779      10.11369  9.201402       13.36749  -26.88473      93.95536 
1 1 1 -8  -22 2  f 120.7224 59.14989 -7.487129      18.18969  -2.022539      13.02640  2.989944       93.03455 
1 1 1 -8  -22 3  o 99.56772 48.59140 -2.705281      8.851294  -8.743835      11.18296  1.672981       79.05331 
1 1 1 -8  -22 4  o 135.9986 60.62815 4.596632       9.524907  8.228052       11.47423  -10.26735      92.51756 
1 1 1 -8  -21 1  o 187.1444 71.77995 10.61879       10.43662  19.01296       13.50838  -22.87946      111.1122 
1 1 1 -8  -21 2  o 131.7849 59.76089 -2.194557      9.812706  10.87124       11.52036  -37.20437      94.91195 
1 1 1 -8  -21 3  o 99.77593 48.72740 -4.702246      8.924895  -9.318167      11.34644  -2.463760      80.71438 
1 1 1 -8  -21 4  o 100.8112 49.01814 -4.844801      9.003346  -5.066248      10.68419  -6.321968      80.27103 
1 1 1 -8  -21 5  o 118.1009 55.40297 -6.962925      9.301832  12.11691       11.59540  -49.22090      90.80938 
1 1 1 -8  -21 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  -20 1  o 146.6889 64.35319 3.402459       10.78974  5.242483       11.73519  -7.774033      101.6779 
1 1 1 -8  -20 2  f 145.3328 63.87517 4.303301       10.63148  5.180119       11.66560  -4.652542      100.1620 
1 1 1 -8  -20 3  o 157.2078 65.84937 9.239999       10.79049  6.628888       10.79021  8.472092       101.6726 
1 1 1 -8  -20 4  o 154.9687 66.05263 -0.1822670     11.04245  16.80562       11.30537  -51.44308      102.0079 
1 1 1 -8  -20 5  o 121.3932 56.92785 -0.2433438     10.96272  0.1322823      10.67852  -0.8651733E-02 90.35802 
1 1 1 -8  -20 6  o 112.0912 50.84466 -2.161482      6.471703  8.366597       9.869837  -44.94962      85.47649 
1 1 1 -8  -20 7  o 102.4818 45.63970 3.217671       6.087216  -1.022344      5.652622  19.93958       73.88631 
1 1 1 -8  -19 1  o 159.9655 68.49597 3.012717       11.68547  9.512952       12.59075  -21.90495      108.2042 
1 1 1 -8  -19 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  -19 3  o 171.1197 75.93859 8.523989       11.36533  0.000000       0.000000  ?              ?        
1 1 1 -8  -19 4  o 155.7463 65.46076 7.264053       11.13862  6.731633       10.34497  2.805069       102.0595 
1 1 1 -8  -19 5  o 211.1906 69.43710 20.56970       10.81432  12.39678       10.25506  35.80518       110.8212 
1 1 1 -8  -19 6  o 211.9835 53.79628 10.04675       5.957500  21.43454       9.256714  -55.84518      99.21910 
1 1 1 -8  -19 7  o 122.5029 48.21077 3.278917       5.422482  4.423023       5.328730  -6.385712      76.93952 
1 1 1 -8  -19 8  o 148.2557 50.06281 7.194324       5.453083  6.132081       5.473629  7.411957       81.26923 
1 1 1 -8  -18 1  o 134.5988 58.67348 1.199144       8.010621  1.670468       11.17589  -18.39824      97.27058 
1 1 1 -8  -18 2  o 116.7365 55.11602 -6.665561      10.23205  -2.160178      10.68072  -13.96509      92.30241 
1 1 1 -8  -18 3  o 232.8441 71.99151 11.48916       11.22668  24.39222       11.68847  -63.05991      117.6414 
1 1 1 -8  -18 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  -18 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  -18 6  o 294.5135 48.33176 28.71725       8.867401  19.49845       8.217359  60.99356       100.9025 
1 1 1 -8  -18 7  o 108.0396 48.47101 4.821059       7.239472  -2.971509      6.328208  35.63524       79.97537 
1 1 1 -8  -18 8  o 105.0005 48.14638 9.791454       7.392787  -8.867680      6.848738  70.08168       80.77950 
1 1 1 -8  -18 9  o 110.2688 48.03373 -3.141515      6.272689  6.416385       6.056592  -40.72696      77.07328 
1 1 1 -8  -17 1  o 191.8147 61.30975 13.28785       8.171689  5.609890       8.305865  48.46683       100.9536 
1 1 1 -8  -17 2  o 210.1174 59.21991 9.295593       8.042468  14.26695       8.054228  -34.40855      101.3822 
1 1 1 -8  -17 3  o 188.2394 59.71345 14.64075       7.993937  4.999584       7.669403  62.50525       97.85856 
1 1 1 -8  -17 4  f 131.2357 53.41904 6.647742       6.863427  0.4725859E-02  6.800766  34.40472       86.22707 
1 1 1 -8  -17 5  o 220.0361 49.69881 10.85543       6.539625  15.05302       6.709186  -33.84317      91.78204 
1 1 1 -8  -17 6  o 130.8848 61.45462 -0.2847537E-01 12.92430  -3.517714      12.43680  9.189850       99.39964 
1 1 1 -8  -17 7  o 133.6585 62.69955 -9.619988      13.40848  8.312805       12.88767  -35.16246      100.4776 
1 1 1 -8  -17 8  o 133.0364 58.80293 3.012997       6.748528  0.000000       0.000000  ?              ?        
1 1 1 -8  -17 9  o 112.0678 49.26679 5.106761       6.990192  -1.316448      6.293632  29.71832       79.89469 
1 1 1 -8  -17 10 o 122.3793 50.72074 3.501425       6.148948  3.520665       6.471245  -1.186249      80.60703 
1 1 1 -8  -16 1  o 239.2858 55.48075 13.00840       8.306407  15.35305       7.861353  -18.28827      101.4247 
1 1 1 -8  -16 2  o 161.8894 58.87212 4.171326       7.857018  7.449882       7.455507  -17.52887      96.19417 
1 1 1 -8  -16 3  o 139.5700 52.53872 5.082356       6.372252  3.151174       6.014695  14.43022       86.00398 
1 1 1 -8  -16 4  f 259.0512 41.73951 9.885073       6.338482  23.41487       6.630252  -112.5303      82.32194 
1 1 1 -8  -16 5  o 194.9494 50.41348 12.87452       5.940144  6.819899       6.364911  50.00330       87.37905 
1 1 1 -8  -16 6  f 151.7262 51.70741 7.270692       5.929335  4.846313       5.734189  17.70273       84.85847 
1 1 1 -8  -16 7  o 134.8978 57.02108 0.000000       0.000000  3.291952       5.804149  ?              ?        
1 1 1 -8  -16 8  o 126.2405 59.58151 -6.372381      12.39822  1.951667       11.99291  -16.10968      96.28146 
1 1 1 -8  -16 9  o 146.7291 66.26935 -1.934935      12.97142  10.26599       12.70351  -28.55449      103.6392 
1 1 1 -8  -16 10 o 103.8433 47.02519 -1.395876      6.842062  1.253437       6.229438  -6.338348      76.42609 
1 1 1 -8  -16 11 o 94.09673 44.48422 -5.815977      6.895981  0.6563028      6.800211  -18.92337      73.90407 
1 1 1 -8  -15 1  o 118.3013 55.73565 -6.921048      7.482675  0.000000       0.000000  ?              ?        
1 1 1 -8  -15 2  o 374.5391 30.88801 33.55673       7.375701  30.24342       6.875805  18.98431       63.61958 
1 1 1 -8  -15 3  o 206.7170 48.78086 15.37535       6.372920  6.197319       5.955612  78.49222       85.78985 
1 1 1 -8  -15 4  o 176.3776 52.00243 9.999921       6.095770  5.590500       6.057443  35.11421       87.88788 
1 1 1 -8  -15 5  o 194.5573 48.53251 13.52384       5.894081  5.795790       5.782634  66.34761       84.31762 
1 1 1 -8  -15 6  o 158.3767 51.86438 7.487877       5.733323  5.330168       6.024536  15.16226       85.80315 
1 1 1 -8  -15 7  o 105.1352 46.55264 -2.137433      6.541795  1.463515       5.585435  -8.504433      76.79870 
1 1 1 -8  -15 8  o 339.7249 31.36238 24.16920       6.421129  30.93697       6.654497  -46.32037      67.24878 
1 1 1 -8  -15 9  o 242.0337 46.59879 17.85719       6.662210  13.33035       6.825621  39.52905       91.24983 
1 1 1 -8  -15 10 o 134.7331 65.72321 -5.749559      12.65617  0.000000       0.000000  ?              ?        
1 1 1 -8  -15 11 o 145.1785 65.01409 -1.932072      12.27727  12.15909       11.85778  -34.37169      100.8358 
1 1 1 -8  -15 12 o 267.8831 49.51291 22.90010       8.129124  18.31561       7.735023  30.01517       100.1708 
1 1 1 -8  -14 1  o 603.0924 33.63223 81.98674       8.861703  0.000000       0.000000  ?              ?        
1 1 1 -8  -14 2  o 246.3070 42.86020 15.09253       6.569721  13.39480       6.080377  13.94319       84.87946 
1 1 1 -8  -14 3  o 837.0776 22.37234 161.5279       12.03051  150.6876       11.22450  28.16522       45.11925 
1 1 1 -8  -14 4  o 448.1414 26.84665 46.43177       7.429010  43.93994       7.428837  12.95016       54.73731 
1 1 1 -8  -14 5  o 149.6339 51.76272 5.659552       5.679320  4.588350       6.032678  5.889893       85.43405 
1 1 1 -8  -14 6  o 162.7727 51.50837 6.637908       5.657295  6.601069       6.012208  -0.7926636     86.31235 
1 1 1 -8  -14 7  o 275.7689 40.59261 20.91446       6.271123  15.34394       7.323549  54.33028       85.67953 
1 1 1 -8  -14 8  o 227.3796 47.89955 18.99689       6.432650  7.503971       6.658178  95.31871       86.26973 
1 1 1 -8  -14 9  o 442.1428 30.44419 44.74358       7.559526  48.21461       9.308825  -3.597443      65.33685 
1 1 1 -8  -14 10 o 208.0110 52.53563 8.117522       6.210479  18.33626       7.540482  -71.57710      92.83873 
1 1 1 -8  -14 11 o 106.7980 47.70847 2.479860       6.041902  -2.614634      6.960155  14.57602       77.67587 
1 1 1 -8  -14 12 o 215.5132 87.69753 25.24647       13.01525  0.000000       0.000000  ?              ?        
1 1 1 -8  -14 13 o 205.2184 87.09293 25.19779       13.63119  0.000000       0.000000  ?              ?        
1 1 1 -8  -13 1  o 246.6543 36.85754 12.28385       5.698281  15.50392       5.261190  -31.19705      75.46688 
1 1 1 -8  -13 2  o 246.9365 40.03108 17.14376       6.071537  11.45552       5.783337  50.56418       79.92142 
1 1 1 -8  -13 3  o 884.8386 21.27723 175.3525       12.02246  171.4771       11.36289  9.053040       42.88834 
1 1 1 -8  -13 4  o 603.2147 32.42686 82.01125       8.548284  0.000000       0.000000  ?              ?        
1 1 1 -8  -13 5  o 319.5921 30.99023 29.58022       6.135085  17.16998       6.000705  92.11636       66.70940 
1 1 1 -8  -13 6  o 425.6207 37.76107 0.000000       0.000000  42.10408       6.976577  ?              ?        
1 1 1 -8  -13 7  o 110.8947 47.14463 -2.589696      5.464050  4.776556       5.891041  -44.40963      78.19350 
1 1 1 -8  -13 8  o 111.8780 47.53057 -0.3788706     5.557142  2.791093       5.968858  -20.12344      78.36736 
1 1 1 -8  -13 9  o 118.4199 48.64764 3.984826       5.577553  0.2053439      5.897559  18.95483       79.03809 
1 1 1 -8  -13 10 o 223.4531 44.59267 8.738358       5.632397  18.28390       6.362996  -79.72743      84.02776 
1 1 1 -8  -13 11 o 119.0524 49.07920 0.4341796      5.493504  5.633520       6.310749  -32.07518      79.85307 
1 1 1 -8  -13 12 o 165.2895 50.32265 8.740142       5.484081  6.690327       5.770903  16.10628       84.20589 
1 1 1 -8  -13 13 o 129.7848 49.63031 10.17441       5.602164  -1.160489      5.543330  69.85696       77.91940 
1 1 1 -8  -13 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  -12 1  o 281.5760 30.79895 16.91397       5.326624  18.84615       5.257903  -16.47443      63.86416 
1 1 1 -8  -12 2  o 173.7348 45.64344 9.884476       5.025529  4.529023       4.939410  50.36517       78.65501 
1 1 1 -8  -12 3  o 450.3751 32.60200 0.000000       0.000000  45.74836       6.396906  ?              ?        
1 1 1 -8  -12 4  o 675.1873 20.65692 100.0372       8.675300  101.8064       8.608317  -6.114014      41.56910 
1 1 1 -8  -12 5  o 455.6262 26.78420 50.02198       7.687184  43.10601       7.394808  34.47910       54.43852 
1 1 1 -8  -12 6  o 107.6571 46.05897 1.034913       5.510010  -0.4510769     5.428038  9.123581       76.79063 
1 1 1 -8  -12 7  o 128.7334 49.07484 6.897744       5.344793  -0.9634284     5.535193  51.59691       79.03892 
1 1 1 -8  -12 8  o 147.0468 50.04375 3.766847       5.275892  6.738144       5.664740  -24.36708      82.69664 
1 1 1 -8  -12 9  o 269.9604 38.93298 15.46833       5.594789  21.67521       7.465682  -38.01680      82.66920 
1 1 1 -8  -12 10 o 98.45535 42.65393 2.400961       4.773050  -1.740525      4.835873  22.41690       70.45792 
1 1 1 -8  -12 11 o 204.0022 41.63969 13.14784       5.122580  8.220828       5.059694  47.20331       78.75189 
1 1 1 -8  -12 12 o 106.6379 44.56702 0.6519085      4.954577  2.783649       4.897804  -11.82978      72.32805 
1 1 1 -8  -12 13 o 328.6867 30.09722 31.80420       6.298033  21.06265       5.862389  75.01508       65.69592 
1 1 1 -8  -12 14 o 215.1391 40.39680 12.10712       5.193723  12.35326       5.192751  -2.397293      80.42401 
1 1 1 -8  -11 1  o 368.8633 23.86317 30.49692       5.527508  29.99207       5.339212  2.819885       48.36968 
1 1 1 -8  -11 2  o 653.7919 26.69591 0.000000       0.000000  95.06625       7.639608  ?              ?        
1 1 1 -8  -11 3  o 263.1154 33.34167 15.14269       5.367885  16.34461       5.273146  -11.09334      69.04089 
1 1 1 -8  -11 4  o 419.0167 23.32830 41.80375       6.006276  36.29168       6.073619  30.59909       47.40809 
1 1 1 -8  -11 5  o 469.0846 23.26755 44.43552       6.606106  53.75389       6.902286  -45.23822      47.08234 
1 1 1 -8  -11 6  o 558.6599 23.03366 70.40644       7.920492  68.35612       8.010580  8.633728       46.51630 
1 1 1 -8  -11 7  o 587.2211 20.87437 72.11594       7.405223  81.76111       7.793050  -36.91577      42.12333 
1 1 1 -8  -11 8  o 118.5569 46.02078 2.745694       4.995717  2.102597       4.703044  7.036560       75.71012 
1 1 1 -8  -11 9  o 372.5920 36.86233 32.67130       5.945582  0.000000       0.000000  ?              ?        
1 1 1 -8  -11 10 o 98.66296 42.38307 -0.9503995     4.539536  2.134474       4.802573  -20.42626      70.21375 
1 1 1 -8  -11 11 o 134.9657 47.24483 6.188910       5.072281  2.965491       4.706576  26.40332       77.48431 
1 1 1 -8  -11 12 o 132.0468 45.23275 1.959852       4.320997  7.266150       4.617798  -44.39258      73.61009 
1 1 1 -8  -11 13 o 94.84026 41.19580 -2.482311      4.224485  4.589362       4.851126  -45.51945      68.63413 
1 1 1 -8  -11 14 o 162.5497 45.92743 8.550635       4.692707  6.153574       4.990153  21.62199       78.41807 
1 1 1 -8  -11 15 o 133.9997 46.79648 4.562722       4.766519  5.532583       4.804345  -7.227203      75.96830 
1 1 1 -8  -10 1  o 205.1162 35.49801 9.515506       4.368939  9.826172       4.337707  -3.352615      70.01575 
1 1 1 -8  -10 2  o 199.0176 38.16051 7.225166       4.501645  11.17201       4.578794  -41.03612      72.65373 
1 1 1 -8  -10 3  o 296.8519 25.91033 17.28167       4.479696  22.70447       5.011874  -41.23901      53.04929 
1 1 1 -8  -10 4  o 264.7391 28.13280 14.46237       4.281283  17.48848       4.875149  -24.98717      58.12149 
1 1 1 -8  -10 5  o 463.0898 19.41794 43.87082       5.366896  51.71196       5.788373  -38.15039      39.12430 
1 1 1 -8  -10 6  o 180.5377 42.73061 10.02767       4.715657  5.353471       4.705569  46.39508       76.06268 
1 1 1 -8  -10 7  o 288.0922 43.88220 0.000000       0.000000  19.39267       5.370356  ?              ?        
1 1 1 -8  -10 8  o 379.0335 29.77192 23.67366       9.556893  35.72571       5.723195  -96.01822      80.51738 
1 1 1 -8  -10 9  o 130.2711 50.15487 4.066722       4.772413  0.8336459      7.607207  -1.541718      83.55222 
1 1 1 -8  -10 10 o 238.7614 32.81526 15.26140       4.810146  11.61763       4.657155  34.90063       68.28764 
1 1 1 -8  -10 11 o 276.8050 29.73637 16.36684       4.850567  19.83875       5.221959  -27.25079      62.96766 
1 1 1 -8  -10 12 o 135.0632 45.32191 0.8781946      4.363045  8.689245       4.602199  -66.08181      72.57514 
1 1 1 -8  -10 13 o 245.3188 34.56087 15.36050       4.993077  14.17379       5.243650  14.10123       73.40162 
1 1 1 -8  -10 14 o 214.1131 39.50943 9.052910       5.007982  14.67151       5.101964  -54.04359      77.35446 
1 1 1 -8  -10 15 o 93.39182 41.66040 1.291275       4.589136  -1.494770      5.288734  7.660507       68.19060 
1 1 1 -8  -10 16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  -9  1  o 695.2522 16.33463 105.2132       7.061772  107.9757       7.027923  -9.140686      32.83044 
1 1 1 -8  -9  2  o 208.4659 27.18571 6.427315       3.402749  13.29936       3.461749  -76.14781      56.48810 
1 1 1 -8  -9  3  o 430.9201 17.12759 41.03424       4.518493  40.91142       4.621722  0.7742920      34.44387 
1 1 1 -8  -9  4  o 463.3359 17.04904 46.42538       4.808716  48.39810       4.979396  -9.557373      34.27056 
1 1 1 -8  -9  5  o 222.8918 26.80528 11.24718       3.567358  11.15871       3.700126  1.373886       55.38205 
1 1 1 -8  -9  6  o 299.9962 22.47003 20.63554       4.123901  19.46360       4.178951  9.234222       45.77518 
1 1 1 -8  -9  7  o 161.2532 40.47166 3.775370       3.909897  8.788998       4.187361  -53.78990      70.36703 
1 1 1 -8  -9  8  o 186.6371 48.64606 0.000000       0.000000  8.382388       4.022309  ?              ?        
1 1 1 -8  -9  9  o 111.2165 42.66389 3.908807       3.954264  -0.4338434E-01 4.323631  26.94990       69.55651 
1 1 1 -8  -9  10 o 262.2053 27.83087 14.39841       4.339028  17.23082       4.586621  -24.40514      58.07642 
1 1 1 -8  -9  11 o 265.2861 29.03239 16.15833       4.573363  16.48769       4.837151  -1.206573      61.10751 
1 1 1 -8  -9  12 o 210.7285 36.04199 13.89554       4.470937  7.553650       4.616929  65.82755       71.05238 
1 1 1 -8  -9  13 o 99.91957 41.56637 -0.5291497     4.133923  3.297147       4.389627  -27.03430      68.19430 
1 1 1 -8  -9  14 o 289.7066 28.38344 19.23504       4.930104  20.82868       5.147814  -11.08649      60.66771 
1 1 1 -8  -9  15 o 129.5625 45.80914 4.059499       4.525573  4.861830       4.668490  -6.502594      74.58369 
1 1 1 -8  -9  16 o 147.8341 54.09210 13.49381       10.70850  5.130672       5.061177  37.63300       93.28532 
1 1 1 -8  -8  1  o 390.9906 24.95031 32.96648       6.156895  35.43982       5.891591  -15.51062      50.97517 
1 1 1 -8  -8  2  o 339.7271 19.07277 27.24535       4.075425  24.03352       3.934782  21.54373       38.54488 
1 1 1 -8  -8  3  o 436.3512 22.99076 42.23367       4.384859  0.000000       0.000000  ?              ?        
1 1 1 -8  -8  4  f 205.8239 27.47300 8.723631       3.357775  10.46015       3.486129  -19.32396      56.31540 
1 1 1 -8  -8  5  o 375.9729 17.77522 29.11552       3.982461  33.72020       4.303961  -27.64474      35.79805 
1 1 1 -8  -8  6  o 429.2008 17.23382 36.78727       4.401713  45.34571       4.779679  -45.10077      34.68862 
1 1 1 -8  -8  7  f 378.0204 19.22685 32.08865       4.461338  31.21545       4.526923  5.437439       38.80928 
1 1 1 -8  -8  8  o 626.8117 20.16838 84.13834       9.484149  88.44558       6.821572  -20.09503      43.30944 
1 1 1 -8  -8  9  o 328.6320 21.32207 23.91525       4.308299  24.24089       4.338244  -2.221924      43.28048 
1 1 1 -8  -8  10 o 523.1127 17.70537 62.03073       5.802168  59.53823       5.674117  10.66327       35.68746 
1 1 1 -8  -8  11 o 408.2956 19.38943 36.69358       4.904115  37.87957       4.889540  -6.771851      39.30815 
1 1 1 -8  -8  12 f 187.9521 35.46180 9.469968       3.938595  7.649558       4.028855  20.68478       69.05296 
1 1 1 -8  -8  13 o 140.8073 47.29338 1.939112       6.203260  6.401370       4.147246  -23.71854      77.36029 
1 1 1 -8  -8  14 o 115.6862 42.74289 1.249546       3.923342  5.215724       4.204547  -33.14380      69.48535 
1 1 1 -8  -8  15 o 238.7693 32.62725 12.74578       4.610766  15.45477       4.807936  -24.82034      69.55727 
1 1 1 -8  -8  16 o 88.24014 39.35612 -0.2062584     4.372933  0.1805482      4.372716  -1.968124      64.70914 
1 1 1 -8  -8  17 o 108.1337 43.51773 1.526468       4.406996  3.729097       4.548230  -14.63442      69.95023 
1 1 1 -8  -7  1  o 104.1898 39.31749 1.344462       3.416212  2.564184       3.524306  -11.83533      64.80451 
1 1 1 -8  -7  2  o 627.8538 22.39914 95.19546       9.188145  81.74817       8.299199  47.18335       45.24321 
1 1 1 -8  -7  3  o 463.6016 22.54687 48.09446       6.432092  47.35699       6.497653  3.788635       45.54061 
1 1 1 -8  -7  4  o 536.4269 15.97660 61.14575       5.086314  66.14861       5.566968  -20.83563      32.11218 
1 1 1 -8  -7  5  o 107.8840 38.05185 2.145097       3.113358  2.479569       3.228315  -4.578407      63.13063 
1 1 1 -8  -7  6  o 736.2753 16.25655 117.2890       7.289432  121.8030       7.568011  -13.73438      32.65372 
1 1 1 -8  -7  7  o 359.3674 18.64984 29.44852       4.110639  27.74539       4.176658  11.04523       37.67757 
1 1 1 -8  -7  8  f 365.3044 20.25690 32.11975       4.677470  27.28622       4.474028  30.13583       40.95999 
1 1 1 -8  -7  9  o 712.1575 17.55649 114.9383       7.848300  109.2124       7.666614  18.16968       35.31345 
1 1 1 -8  -7  10 o 417.8893 18.79531 38.37440       4.835436  39.20881       4.884440  -4.492004      37.94005 
1 1 1 -8  -7  11 o 137.9718 39.90822 6.038776       3.753019  3.288759       3.480260  30.29833       67.98911 
1 1 1 -8  -7  12 o 214.2054 29.20267 8.789867       3.817891  12.48941       3.742037  -40.91730      60.86051 
1 1 1 -8  -7  13 o 451.3773 18.95273 47.81054       5.410691  44.15318       5.186299  17.72418       38.53554 
1 1 1 -8  -7  14 o 83.96128 36.34979 0.7721287      3.499424  -0.4091190     3.469185  8.142365       60.29480 
1 1 1 -8  -7  15 o 125.5519 43.31770 5.343383       4.124456  2.795102       4.065045  21.60390       70.80698 
1 1 1 -8  -7  16 o 102.8630 41.47318 -0.4105745     4.047338  4.474557       4.100002  -33.90978      66.99770 
1 1 1 -8  -7  17 o 97.76360 40.80493 4.704802       4.085856  -1.702956      4.157928  39.78600       65.74844 
1 1 1 -8  -6  1  o 217.5659 34.58365 13.94179       4.518303  8.141103       4.504524  59.44463       69.24104 
1 1 1 -8  -6  2  o 524.3475 21.69993 63.22218       7.078649  59.51321       7.007777  16.14120       43.90011 
1 1 1 -8  -6  3  o 879.3203 34.29684 0.000000       0.000000  175.1360       13.20289  ?              ?        
1 1 1 -8  -6  4  o 393.5376 23.03135 34.29772       5.503812  34.55009       5.696829  -1.110962      46.63250 
1 1 1 -8  -6  5  o 300.4309 27.11697 20.17745       3.535018  0.000000       0.000000  ?              ?        
1 1 1 -8  -6  6  o 254.8485 22.47309 13.94766       3.397413  15.07134       3.648746  -9.691467      45.93917 
1 1 1 -8  -6  7  o 325.7010 19.54143 23.21737       3.862766  23.84764       4.000820  -4.211365      39.51758 
1 1 1 -8  -6  8  o 489.1014 16.66735 55.39166       5.097087  50.38955       5.003187  23.32080       33.52279 
1 1 1 -8  -6  9  o 619.4099 16.84992 84.75294       6.494266  84.62725       6.442600  0.4003906      33.84327 
1 1 1 -8  -6  10 o 95.43688 38.74943 1.252971       3.579276  0.6577390      3.589091  4.506966       64.23596 
1 1 1 -8  -6  11 o 171.6373 35.63790 6.097749       3.647944  7.861624       3.692689  -20.36961      66.97196 
1 1 1 -8  -6  12 o 189.8530 32.79857 9.416299       3.757471  7.620325       3.689547  20.43758       65.07867 
1 1 1 -8  -6  13 o 282.7068 23.69868 18.00695       4.087180  18.50547       4.149114  -3.806366      49.06306 
1 1 1 -8  -6  14 o 229.3073 27.63935 15.39173       3.991210  9.646022       3.727019  57.60567       58.50578 
1 1 1 -8  -6  15 o 163.6695 37.04710 8.736382       3.656739  4.839921       3.690210  43.49883       67.12624 
1 1 1 -8  -6  16 o 222.1010 28.92546 12.79276       3.876260  11.07832       3.905060  18.90561       61.71643 
1 1 1 -8  -6  17 o 96.36901 39.10243 1.141179       3.594712  2.365570       3.701671  -9.469322      63.38661 
1 1 1 -8  -6  18 o 90.00466 38.29375 0.6072035      3.679187  1.527507       3.810280  -6.807602      62.24892 
1 1 1 -8  -5  1  o 566.2764 14.35707 68.19348       4.932973  73.69782       5.152563  -21.90247      28.84098 
1 1 1 -8  -5  2  o 269.6523 27.44316 17.90413       4.489503  15.07936       4.564525  25.26126       57.31554 
1 1 1 -8  -5  3  o 341.6232 24.98697 28.17665       5.192929  24.21305       5.326649  27.65247       51.42793 
1 1 1 -8  -5  4  o 560.7749 21.34318 72.28505       7.392723  67.31894       7.429198  20.45074       43.07537 
1 1 1 -8  -5  5  o 829.3346 23.09859 152.4021       11.84740  152.3130       11.89590  0.3151855      46.47924 
1 1 1 -8  -5  6  o 769.5577 16.03240 127.2953       7.488734  133.8052       7.829495  -19.03436      32.18530 
1 1 1 -8  -5  7  o 195.4176 38.38925 8.869967       3.173156  0.000000       0.000000  ?              ?        
1 1 1 -8  -5  8  o 508.6190 15.86506 58.24733       5.007815  55.95733       4.991054  10.29645       31.87780 
1 1 1 -8  -5  9  o 403.7101 18.75871 37.98556       4.694299  34.19945       4.675548  21.55637       37.86060 
1 1 1 -8  -5  10 o 120.8353 45.16625 4.842430       3.985755  -1.488213      5.466129  31.17709       73.01556 
1 1 1 -8  -5  11 o 167.1419 35.80304 7.879809       3.535498  5.199814       3.668849  30.95042       66.21120 
1 1 1 -8  -5  12 o 212.5950 28.56969 10.23363       3.586235  10.59904       3.765098  -3.143707      59.16530 
1 1 1 -8  -5  13 o 176.9827 34.10991 8.353298       3.546872  6.592924       3.674539  20.96838       65.75726 
1 1 1 -8  -5  14 o 188.6935 32.46372 7.962759       3.566294  9.317369       3.767771  -14.49850      65.05499 
1 1 1 -8  -5  15 o 231.6718 26.83687 12.55145       3.665594  12.67309       3.917988  0.9964600      56.92536 
1 1 1 -8  -5  16 o 302.6832 23.31265 24.93483       4.346008  17.72254       4.340987  57.21234       49.86649 
1 1 1 -8  -5  17 o 96.59082 38.81820 0.4953828      3.479741  3.083294       3.637723  -20.44582      63.09146 
1 1 1 -8  -5  18 o 186.5211 34.39687 9.070639       3.784815  8.886971       3.883548  3.123749       68.61734 
1 1 1 -8  -4  1  o 203.1014 22.64283 12.20419       2.828756  6.453682       2.780400  66.71913       48.27168 
1 1 1 -8  -4  2  o 493.8171 14.58481 53.39729       4.384359  54.43207       4.545597  -4.525116      29.32787 
1 1 1 -8  -4  3  o 324.5686 26.18648 25.39883       5.257695  22.23006       5.197963  22.73172       53.92253 
1 1 1 -8  -4  4  o 448.0506 22.24788 49.92582       6.352739  40.21877       5.991374  49.08252       45.11575 
1 1 1 -8  -4  5  o 188.8594 31.75842 8.609282       3.174496  7.447274       4.223431  14.64578       64.51978 
1 1 1 -8  -4  6  o 633.1323 21.45710 87.18754       8.253941  90.27752       8.585858  -10.76392      43.17757 
1 1 1 -8  -4  7  o 316.8412 19.17186 19.35903       3.632157  25.50520       3.881145  -44.28290      38.86442 
1 1 1 -8  -4  8  o 298.5935 19.22866 20.95676       3.491463  18.52348       3.596198  19.09558       39.11181 
1 1 1 -8  -4  9  o 404.5559 17.11041 32.59950       4.144631  40.32292       4.438972  -43.30130      34.47886 
1 1 1 -8  -4  10 o 241.2188 35.45398 13.35157       3.639424  0.000000       0.000000  ?              ?        
1 1 1 -8  -4  11 o 231.5999 25.96799 11.24694       3.613294  13.04215       3.722229  -17.92502      53.78714 
1 1 1 -8  -4  12 o 422.5033 17.61240 41.19829       4.607598  38.11852       4.604141  16.78384       35.57023 
1 1 1 -8  -4  13 o 505.0552 17.13194 56.26585       5.288723  57.39859       5.433412  -4.734375      34.59518 
1 1 1 -8  -4  14 o 207.7565 30.14383 10.05260       3.692758  10.36686       3.855481  -2.379913      62.47818 
1 1 1 -8  -4  15 o 283.9031 23.90571 18.80961       4.029651  18.31643       4.328309  6.362213       50.03778 
1 1 1 -8  -4  16 o 154.0278 38.26952 5.907120       3.444434  6.446900       3.873919  -4.816986      68.81983 
1 1 1 -8  -4  17 o 141.2217 40.17588 6.916979       3.584067  3.667452       3.798757  32.79408       67.90105 
1 1 1 -8  -4  18 o 156.6897 39.57037 7.805914       3.711696  5.498646       3.997004  25.19461       69.97569 
1 1 1 -8  -4  19 o 83.87823 36.49700 -0.3735885E-01 3.504596  1.220441       3.595107  -8.419487      59.57364 
1 1 1 -8  -3  1  o 285.7036 17.05158 17.90010       3.011992  18.27671       3.004555  -3.059814      34.46481 
1 1 1 -8  -3  2  o 503.8378 14.09212 53.85551       4.332995  58.37521       4.470294  -20.33310      28.30902 
1 1 1 -8  -3  3  o 408.4945 15.32257 37.62061       3.863066  36.25772       3.888698  7.717804       30.86082 
1 1 1 -8  -3  4  o 341.3914 24.48950 25.30552       5.046057  27.18274       5.264353  -12.08456      50.03498 
1 1 1 -8  -3  5  f 300.2103 26.66073 24.71264       4.991622  16.09754       4.838665  67.23422       56.08146 
1 1 1 -8  -3  6  o 403.5345 19.15572 33.43001       4.062686  41.88642       6.097492  -44.09808      40.35157 
1 1 1 -8  -3  7  o 343.4782 24.85960 28.60643       5.317215  24.01995       5.206353  30.82089       50.66986 
1 1 1 -8  -3  8  o 660.5208 16.25898 96.62215       6.861077  95.72524       6.479064  2.693420       32.71405 
1 1 1 -8  -3  9  o 263.0962 26.00076 14.50472       5.681275  15.94728       3.470067  -20.40192      62.22742 
1 1 1 -8  -3  10 o 810.1956 23.84168 145.8750       8.463603  0.000000       0.000000  ?              ?        
1 1 1 -8  -3  11 o 399.3542 19.18776 36.40915       4.646490  34.23524       4.838188  12.91766       38.82415 
1 1 1 -8  -3  12 o 111.4650 38.83647 5.305154       3.179480  -0.4884279     3.423552  53.12199       61.63945 
1 1 1 -8  -3  13 o 459.4930 17.23433 49.75645       4.860283  44.11335       4.948196  28.56726       34.91023 
1 1 1 -8  -3  14 o 105.6815 38.14791 2.541522       3.167756  2.189411       3.240728  2.692070       62.79518 
1 1 1 -8  -3  15 f 349.8350 19.71141 28.15953       4.225841  27.34883       4.295550  5.821442       40.34666 
1 1 1 -8  -3  16 o 208.3537 30.44060 11.36471       3.679942  9.467918       3.973322  23.92209       63.77877 
1 1 1 -8  -3  17 o 93.55514 38.61245 2.392771       3.485552  0.1663057      3.799865  12.71334       62.64368 
1 1 1 -8  -3  18 o 187.8447 34.41012 9.801988       3.779252  8.244928       3.950193  19.27318       68.51672 
1 1 1 -8  -3  19 o 133.6778 40.72557 0.9548017      3.462973  10.37792       3.946944  -88.94446      64.11287 
1 1 1 -8  -2  1  o 236.4049 19.18687 10.90355       2.742532  14.07157       2.839026  -31.00203      39.32121 
1 1 1 -8  -2  2  o 93.30286 34.47061 2.084086       2.678810  1.115754       2.599592  11.06747       56.93972 
1 1 1 -8  -2  3  o 350.3936 15.79131 28.03885       3.490252  26.42903       3.360477  10.29199       31.83686 
1 1 1 -8  -2  4  o 290.0995 18.67153 18.14025       3.391224  19.34639       3.295218  -9.936859      37.97848 
1 1 1 -8  -2  5  o 351.5577 23.17027 27.66130       5.102663  27.65542       4.950334  -0.4104309     47.16703 
1 1 1 -8  -2  6  o 132.2959 43.01789 2.237338       3.888646  5.835380       4.220144  -36.32343      71.48883 
1 1 1 -8  -2  7  o 542.3556 21.71356 62.92509       7.179669  67.45324       7.406462  -18.86011      43.72900 
1 1 1 -8  -2  8  o 1169.258 28.33265 315.6089       21.04779  293.5039       20.08612  41.84253       57.19145 
1 1 1 -8  -2  9  o 538.7285 22.36524 0.000000       0.000000  64.44062       5.273504  ?              ?        
1 1 1 -8  -2  10 o 125.2693 41.42241 3.952923       3.290343  2.538666       4.455388  3.662094       69.60069 
1 1 1 -8  -2  11 o 631.5690 16.43130 87.40689       6.378462  88.75954       6.486727  -4.761353      33.00492 
1 1 1 -8  -2  12 o 262.8799 23.63252 18.89145       3.876797  12.38235       3.751611  57.96764       49.63618 
1 1 1 -8  -2  13 o 164.1056 34.89342 7.254298       3.413966  5.535830       3.472048  20.45865       65.10435 
1 1 1 -8  -2  14 o 114.1171 38.62493 2.955168       3.198224  2.996712       3.308890  -1.224274      64.09225 
1 1 1 -8  -2  15 o 374.5716 18.78022 32.06639       4.292076  31.28047       4.409810  5.502258       38.31444 
1 1 1 -8  -2  16 o 159.4042 36.53195 7.562972       3.445222  5.143790       3.631848  28.05806       66.57737 
1 1 1 -8  -2  17 o 80.83585 35.35245 -1.388088      3.274914  1.857690       3.466025  -23.02307      58.66373 
1 1 1 -8  -2  18 f 85.88840 36.91804 2.168079       3.470214  -0.9654248     3.622680  18.58010       60.26031 
1 1 1 -8  -2  19 o 96.69604 38.99078 2.123369       3.512499  1.809028       3.696080  1.079315       62.81289 
1 1 1 -8  -2  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  -1  1  o 79.41502 32.15295 0.8298790      2.504635  0.4332914      2.417122  5.148712       53.44973 
1 1 1 -8  -1  2  o 282.5335 17.27437 18.77621       3.023657  16.64826       3.002573  17.37006       34.99805 
1 1 1 -8  -1  3  o 135.5772 32.76158 4.739316       2.774384  3.951146       2.676885  10.61105       58.92376 
1 1 1 -8  -1  4  o 301.7672 17.45157 20.81004       3.289861  19.73045       3.217091  8.075500       35.33097 
1 1 1 -8  -1  5  o 115.7133 42.49406 -0.5435352     3.983109  5.842322       4.015870  -53.81134      68.28279 
1 1 1 -8  -1  6  o 655.9781 21.06425 91.31271       8.379272  100.0004       8.753562  -29.74194      42.43421 
1 1 1 -8  -1  7  o 697.6511 17.90695 103.4371       6.665957  115.6977       9.599028  -36.37579      37.74249 
1 1 1 -8  -1  8  o 544.5890 21.49641 66.52954       7.260934  64.80017       7.234437  7.259766       43.29257 
1 1 1 -8  -1  9  f 171.8670 53.56737 0.000000       0.000000  6.883506       4.472724  ?              ?        
1 1 1 -8  -1  10 o 221.3582 25.02565 10.00719       3.327021  12.14250       3.427538  -22.42801      51.81148 
1 1 1 -8  -1  11 f 701.3713 16.39971 117.7759       7.351095  100.3305       6.937099  56.34320       32.97363 
1 1 1 -8  -1  12 o 378.2510 18.56284 34.06054       4.316867  29.39475       4.368034  28.58292       37.63354 
1 1 1 -8  -1  13 o 344.1939 19.28951 25.59376       4.023031  27.33929       4.185891  -11.25357      39.10027 
1 1 1 -8  -1  14 o 259.5942 23.20440 14.92898       3.615331  15.72229       3.785074  -6.327393      47.98923 
1 1 1 -8  -1  15 o 437.6342 17.46919 46.02914       4.768674  39.99312       4.697907  31.62009       35.49095 
1 1 1 -8  -1  16 o 207.9757 27.95745 9.651341       3.403097  10.98208       3.639976  -13.04257      58.75119 
1 1 1 -8  -1  17 o 109.0003 38.63772 3.349611       3.139099  2.352296       3.420888  7.574379       63.16740 
1 1 1 -8  -1  18 f 127.1623 40.65846 3.147843       3.396278  6.152757       3.901473  -28.58282      67.64468 
1 1 1 -8  -1  19 o 100.8299 38.89151 0.8161699      3.303623  4.392622       3.599925  -29.67130      62.75840 
1 1 1 -8  -1  20 o 82.44243 35.72058 -1.167293      3.264535  2.855031       3.486439  -27.29109      58.40428 
1 1 1 -8  0   1  o 650.6866 13.84037 95.69671       5.656523  90.84311       5.518913  16.92041       27.77819 
1 1 1 -8  0   2  o 938.0498 16.60591 198.7114       9.832623  190.2295       9.501563  20.23053       33.36770 
1 1 1 -8  0   3  o 93.08369 34.48343 1.763430       2.668594  1.410415       2.619031  4.257202       56.96445 
1 1 1 -8  0   4  o 244.4048 20.23842 11.70182       3.052588  15.03838       3.029247  -32.16776      41.92370 
1 1 1 -8  0   5  o 316.6304 17.59969 23.23540       3.478554  21.39405       3.408895  13.25583       35.61961 
1 1 1 -8  0   6  o 321.1104 25.45595 24.76507       5.111295  21.61573       4.950833  22.45285       52.12894 
1 1 1 -8  0   7  o 324.2632 24.78052 23.80759       4.988268  23.13088       4.906292  4.668030       50.48328 
1 1 1 -8  0   8  o 226.9480 27.45077 13.27947       3.292161  8.331117       4.600042  54.33296       62.11009 
1 1 1 -8  0   9  o 278.2436 28.41770 17.49427       4.859899  17.35026       4.812656  1.074127       58.64240 
1 1 1 -8  0   10 o 400.3933 23.40891 38.29350       5.835737  33.28865       5.742909  28.73962       47.54543 
1 1 1 -8  0   11 o 251.3020 23.81219 12.17092       3.642969  16.20108       3.693039  -37.65668      49.48573 
1 1 1 -8  0   12 o 305.1028 22.03020 20.37089       4.083663  21.21636       4.201647  -6.125671      44.83703 
1 1 1 -8  0   13 o 471.5826 16.87536 45.67056       4.676586  53.93129       5.226381  -38.88528      34.02229 
1 1 1 -8  0   14 o 179.5950 31.40947 6.216607       3.271523  9.178904       3.482038  -34.95660      61.78271 
1 1 1 -8  0   15 o 208.8659 27.54854 10.79710       3.449398  9.561554       3.516270  14.49696       57.64009 
1 1 1 -8  0   16 o 167.2022 34.08394 7.771989       3.408241  6.142650       3.422022  19.50514       64.95789 
1 1 1 -8  0   17 o 107.9825 38.92627 3.627330       3.280271  1.878455       3.391149  15.00370       63.40891 
1 1 1 -8  0   18 o 80.72575 35.80096 0.2092567      3.383357  -0.2112791     3.783482  -1.501640      59.04108 
1 1 1 -8  0   19 o 132.6346 39.97501 5.252088       3.434449  4.553388       3.700744  7.159523       67.27743 
1 1 1 -8  0   20 o 255.8383 25.59211 13.37584       3.818469  19.29860       4.226665  -50.49088      55.95107 
1 1 1 -8  1   1  o 195.4804 22.16988 8.820774       2.680625  8.333938       2.602920  5.613754       45.68721 
1 1 1 -8  1   2  o 484.4585 13.73480 52.90525       4.164982  50.66695       4.083063  10.46960       27.57648 
1 1 1 -8  1   3  o 393.2786 14.79590 34.97170       3.620516  33.45214       3.586041  8.808105       29.77580 
1 1 1 -8  1   4  o 448.1144 14.48459 42.88976       4.004488  45.98808       4.037838  -15.80130      29.14886 
1 1 1 -8  1   5  o 278.6297 19.12545 14.87452       3.219015  20.00843       3.356475  -42.40990      39.19099 
1 1 1 -8  1   6  o 373.6272 22.99349 35.22706       5.581891  27.87734       5.062747  44.05637       46.71521 
1 1 1 -8  1   7  o 329.2539 25.14964 23.99793       5.086189  24.44433       5.109423  -3.104218      51.26991 
1 1 1 -8  1   8  o 301.2467 19.32076 21.21364       3.524089  18.92887       3.662782  17.83066       39.29845 
1 1 1 -8  1   9  o 129.5630 44.80615 4.607379       4.368104  2.422101       4.395283  18.56279       74.11202 
1 1 1 -8  1   10 o 322.4404 26.30915 28.22536       5.330916  18.84011       5.109262  67.65472       54.86877 
1 1 1 -8  1   11 o 319.1446 19.87982 22.11261       3.867471  23.21235       3.966620  -7.746216      40.27319 
1 1 1 -8  1   12 o 525.5178 16.36633 62.27411       5.364098  59.84893       5.294086  10.47333       32.90570 
1 1 1 -8  1   13 o 77.44659 34.34027 -1.158898      3.269572  -0.9407640E-01 3.290665  -7.362396      58.06374 
1 1 1 -8  1   14 o 420.1776 17.17727 38.14975       4.429857  40.55951       4.506585  -12.99292      34.71568 
1 1 1 -8  1   15 o 74.99709 33.56889 -1.439906      3.127785  0.2004250      3.302309  -12.86694      56.72744 
1 1 1 -8  1   16 o 338.2974 20.00516 28.59064       4.136486  23.49710       4.223672  36.00256       41.45828 
1 1 1 -8  1   17 o 88.07346 36.66074 1.007923       3.228189  0.9296121      3.406219  -1.205299      60.06890 
1 1 1 -8  1   18 o 117.9613 39.93136 3.948631       3.446201  3.467567       3.506316  4.254181       65.55443 
1 1 1 -8  1   19 f 105.1738 39.37711 3.990802       3.486545  1.617060       3.443257  19.53297       63.47068 
1 1 1 -8  1   20 o 131.6625 39.95817 4.968359       3.598555  5.139509       3.500426  -1.905876      66.99251 
1 1 1 -8  2   1  o 371.8480 14.16460 31.32968       3.297765  29.71642       3.226027  9.850098       28.46937 
1 1 1 -8  2   2  o 933.1594 16.49891 195.7500       9.712070  189.2452       9.396782  15.48492       33.16195 
1 1 1 -8  2   3  o 767.1942 15.13993 135.5999       7.441866  125.1972       6.989748  30.25861       30.44664 
1 1 1 -8  2   4  o 378.3202 15.46272 31.53554       3.677105  31.90506       3.567656  -2.494934      31.18562 
1 1 1 -8  2   5  o 138.8157 33.99155 1.331532       2.870049  7.977897       2.937575  -80.27242      56.09878 
1 1 1 -8  2   6  o 294.4665 25.74472 22.22080       4.735609  17.02197       4.579090  41.00681       53.32582 
1 1 1 -8  2   7  o 227.3732 29.72340 14.29694       4.268653  9.563282       3.935675  47.43404       61.18908 
1 1 1 -8  2   8  o 493.6495 22.40379 0.000000       0.000000  54.04392       4.838469  ?              ?        
1 1 1 -8  2   9  o 372.6706 23.50630 29.50991       5.250199  32.49647       5.577406  -17.85739      47.65594 
1 1 1 -8  2   10 o 174.7792 40.56528 6.278685       4.263882  8.228451       4.364073  -20.60275      73.70346 
1 1 1 -8  2   11 o 488.6066 16.30330 51.15037       4.898091  54.48521       4.971718  -15.53757      32.79652 
1 1 1 -8  2   12 o 459.8725 16.75625 48.78898       4.796584  44.81224       4.747863  19.77362       33.73709 
1 1 1 -8  2   13 o 585.4714 16.18135 73.06467       5.725238  79.08843       6.028727  -22.98712      32.55972 
1 1 1 -8  2   14 o 372.1884 17.67809 30.29956       4.035143  31.51197       4.105333  -7.304474      35.77614 
1 1 1 -8  2   15 o 133.0291 37.54583 6.245540       3.292882  2.616107       3.175905  40.87840       63.51433 
1 1 1 -8  2   16 o 213.4489 27.45931 9.905986       3.465374  11.78673       3.644744  -19.38313      57.93118 
1 1 1 -8  2   17 o 157.1249 35.93250 5.580433       3.333593  7.142789       3.526371  -17.36235      66.15382 
1 1 1 -8  2   18 o 71.38186 32.74436 -1.681901      3.206105  -0.7344306E-01 3.382850  -10.86835      55.03931 
1 1 1 -8  2   19 o 79.17587 34.99205 -1.366136      3.297277  1.940947       3.466306  -21.51656      57.64531 
1 1 1 -8  2   20 o 81.98357 35.71712 1.432309       3.328688  -0.8092820E-01 3.493046  7.798752       57.82064 
1 1 1 -8  2   21 o 99.35153 38.70436 1.122519       3.460903  4.128973       3.409600  -22.08282      61.50253 
1 1 1 -8  3   1  o 102.0151 33.77792 2.636508       2.512832  1.883516       2.465430  9.435875       56.35345 
1 1 1 -8  3   2  o 411.7410 14.48488 40.69487       3.840166  34.67393       3.563060  33.00894       29.12774 
1 1 1 -8  3   3  o 234.3671 19.84893 11.91170       2.878274  12.67654       2.839286  -7.794281      40.68116 
1 1 1 -8  3   4  o 206.8719 22.43295 9.973901       2.878189  9.397562       2.789363  6.186142       46.45572 
1 1 1 -8  3   5  o 140.9915 42.55915 4.679176       4.162011  4.794345       3.915433  0.5064392E-01  72.23936 
1 1 1 -8  3   6  o 269.8900 26.90286 14.95380       4.489410  17.93392       4.400136  -26.56941      56.09016 
1 1 1 -8  3   7  o 288.8017 26.41090 18.78632       4.702712  18.65873       4.656009  0.8956604      54.26133 
1 1 1 -8  3   8  o 110.5817 37.45028 4.479455       3.123100  0.8297836      2.995624  39.66228       61.29459 
1 1 1 -8  3   9  o 623.2174 21.79683 84.87427       8.430327  87.34213       8.396900  -9.155945      43.91480 
1 1 1 -8  3   10 o 347.5703 24.98694 27.79823       5.475122  26.35031       5.235631  9.038300       50.93348 
1 1 1 -8  3   11 o 102.2059 40.14764 1.349748       3.312518  1.800249       4.332113  -14.86395      67.19942 
1 1 1 -8  3   12 o 88.76398 36.80298 -1.876535      3.318191  3.012020       3.323386  -38.38862      60.64987 
1 1 1 -8  3   13 o 202.9561 28.68478 9.378727       3.419343  9.549028       3.610010  -1.148392      58.96064 
1 1 1 -8  3   14 o 260.1428 22.14115 18.69113       3.637612  12.22934       3.448070  57.66805       46.41906 
1 1 1 -8  3   15 o 94.00599 36.99157 2.999396       3.203249  -0.2977873E-01 3.126362  26.64503       60.50273 
1 1 1 -8  3   16 o 136.4126 37.77959 4.271076       3.181809  5.303743       3.446887  -11.67525      65.53471 
1 1 1 -8  3   17 o 187.0241 30.12489 8.587980       3.304410  8.512727       3.452968  2.292435       61.80466 
1 1 1 -8  3   18 o 149.3577 36.57412 7.168409       3.305582  4.616365       3.419422  29.31846       65.18203 
1 1 1 -8  3   19 o 109.2912 38.69376 2.232117       3.216948  4.349909       3.346011  -19.20744      62.72857 
1 1 1 -8  3   20 o 125.3290 46.76173 5.121465       3.448948  0.000000       0.000000  ?              ?        
1 1 1 -8  3   21 o 97.81799 38.25969 2.624215       3.361228  2.528008       3.373599  0.6688843      60.91820 
1 1 1 -8  4   1  o 396.4523 15.02667 38.17594       3.772044  31.61088       3.610803  37.70105       30.27767 
1 1 1 -8  4   2  o 174.0939 26.50693 7.508127       2.825106  6.429527       2.722466  13.76973       53.67986 
1 1 1 -8  4   3  o 560.5403 14.40094 68.81552       5.028258  70.17154       4.978653  -5.642578      28.95710 
1 1 1 -8  4   4  o 296.1183 25.17897 21.83706       4.805513  18.20913       4.385736  26.94302       51.88654 
1 1 1 -8  4   5  o 125.2719 42.85683 3.978137       4.244496  3.093093       3.802415  11.11920       71.24111 
1 1 1 -8  4   6  o 331.6579 23.85082 22.83976       4.897747  26.41241       4.850916  -25.30194      48.85215 
1 1 1 -8  4   7  o 938.9703 24.85701 196.1400       10.22869  0.000000       0.000000  ?              ?        
1 1 1 -8  4   8  o 235.6613 31.33017 12.08983       4.643676  13.06919       4.308454  -10.77116      64.77585 
1 1 1 -8  4   9  o 313.1448 26.17992 23.06579       5.062091  20.88446       5.016142  16.19589       53.63994 
1 1 1 -8  4   10 o 609.2155 22.14972 76.97596       8.189175  88.59532       8.534831  -43.15863      44.71854 
1 1 1 -8  4   11 o 165.7943 43.12823 6.588005       3.165719  0.000000       0.000000  ?              ?        
1 1 1 -8  4   12 o 317.4470 20.48214 25.61774       4.173936  19.72464       3.867190  42.15173       41.64101 
1 1 1 -8  4   13 o 251.0084 23.98035 13.95160       3.730488  14.47900       3.647978  -5.317261      49.54816 
1 1 1 -8  4   14 o 261.9676 23.72811 12.14054       3.786793  19.11189       3.842082  -63.05969      50.59148 
1 1 1 -8  4   15 o 84.83375 35.82574 1.551516       3.305072  -0.4897381     3.169732  16.75031       59.38871 
1 1 1 -8  4   16 o 85.71236 36.24046 0.2572944      3.305737  1.000791       3.328708  -5.548386      59.71348 
1 1 1 -8  4   17 o 216.5877 27.64753 12.76446       3.669194  9.867122       3.591996  31.30208       58.91499 
1 1 1 -8  4   18 o 119.3536 39.44226 -0.8219109     3.337017  8.853464       3.453972  -90.45291      59.41573 
1 1 1 -8  4   19 o 73.31564 33.18791 1.538916       3.310113  -2.042392      3.175749  21.71133       55.15275 
1 1 1 -8  4   20 o 157.3962 36.65085 8.920136       3.635832  5.302082       3.398960  37.53413       66.64499 
1 1 1 -8  4   21 o 81.21548 35.30326 -0.2665974     3.430614  1.956015       3.208026  -11.74004      56.67265 
1 1 1 -8  5   1  o 390.4097 15.71562 34.34532       3.884149  33.25085       3.717750  6.085907       31.67813 
1 1 1 -8  5   2  o 624.5408 20.96469 91.47163       8.425882  83.27855       7.828135  28.53961       42.39202 
1 1 1 -8  5   3  o 583.5806 20.91501 75.55813       7.549911  76.69862       7.568402  -4.455566      42.31546 
1 1 1 -8  5   4  o 105.6257 41.32774 0.7656476      3.963603  2.768026       3.897689  -14.86595      67.88988 
1 1 1 -8  5   5  o 309.1968 25.60670 23.81099       5.102561  19.74943       4.662002  29.04599       52.65244 
1 1 1 -8  5   6  o 577.1790 15.51663 76.14883       5.635915  71.19161       5.468805  19.41913       31.17712 
1 1 1 -8  5   7  f 317.2960 26.22338 19.00574       5.138313  26.04334       5.092747  -52.33728      54.69065 
1 1 1 -8  5   8  o 642.1277 22.20164 98.69074       9.219023  85.29408       8.486698  46.63763       44.72773 
1 1 1 -8  5   9  o 236.1551 32.15820 8.844429       4.557080  16.72110       4.620864  -76.84023      66.38455 
1 1 1 -8  5   10 o 383.9931 20.90331 16.82532       6.304802  39.99037       4.221004  -161.9406      61.04074 
1 1 1 -8  5   11 o 178.0842 43.06340 7.619901       3.326566  0.000000       0.000000  ?              ?        
1 1 1 -8  5   12 o 405.7747 17.58838 38.30864       4.583983  34.93347       4.266426  18.47809       35.47157 
1 1 1 -8  5   13 o 596.9416 16.16754 78.35511       6.084897  79.54311       5.882728  -4.994812      32.56688 
1 1 1 -8  5   14 o 233.8175 24.69446 12.85607       3.617807  12.14083       3.443978  6.296204       51.43718 
1 1 1 -8  5   15 o 234.1022 24.85814 12.44234       3.676455  12.82893       3.444373  -5.648224      52.32265 
1 1 1 -8  5   16 o 208.9970 28.03034 11.83433       3.679287  9.156668       3.419840  27.95581       58.88898 
1 1 1 -8  5   17 o 329.4162 20.31552 25.31367       4.115266  24.72272       4.147225  4.511688       42.01198 
1 1 1 -8  5   18 o 83.07126 35.93168 -0.7393506     3.337656  1.980133       3.462368  -18.60738      58.88006 
1 1 1 -8  5   19 o 96.41207 38.06773 2.730829       3.386892  1.736668       3.335809  7.716713       61.08039 
1 1 1 -8  5   20 o 65.30499 30.81709 -1.674465      3.289204  -1.295771      3.229432  -1.100647      51.67080 
1 1 1 -8  5   21 o 77.40726 34.40882 1.157967       3.390119  -0.1215448     3.242514  8.258438       55.65395 
1 1 1 -8  6   1  o 287.0135 27.86028 20.54081       5.022320  17.18928       4.782348  26.55804       57.94893 
1 1 1 -8  6   2  o 501.0249 22.20315 52.57196       6.820350  60.15486       6.948463  -34.62082      45.10820 
1 1 1 -8  6   3  o 137.5867 43.57351 4.777972       4.269025  4.221964       4.075687  6.190430       73.17545 
1 1 1 -8  6   4  o 484.8352 16.14251 49.81581       4.789125  54.57451       4.909399  -22.27490      32.52582 
1 1 1 -8  6   5  o 343.8093 24.71113 26.15833       5.347266  26.92095       5.129592  -5.910431      50.56372 
1 1 1 -8  6   6  o 349.4355 25.15756 26.51532       5.471823  28.12994       5.363218  -11.08508      51.36144 
1 1 1 -8  6   7  o 158.2895 43.22695 6.046073       4.595736  5.783961       4.162766  4.318527       75.33233 
1 1 1 -8  6   8  o 343.6607 25.91054 25.66378       5.554062  27.12778       5.414442  -10.30899      52.93182 
1 1 1 -8  6   9  o 339.3298 18.61202 22.96017       3.979231  27.93077       3.830428  -34.22491      38.00032 
1 1 1 -8  6   10 o 285.1306 27.74645 0.000000       0.000000  18.39660       3.426348  ?              ?        
1 1 1 -8  6   11 o 384.5086 21.23447 33.77742       4.423075  31.49312       6.034715  18.38168       45.98677 
1 1 1 -8  6   12 o 364.7794 18.86808 24.49792       4.214862  34.85079       4.296232  -65.50061      38.69422 
1 1 1 -8  6   13 o 275.4382 22.78943 16.39960       3.913832  17.74534       3.806378  -11.93399      46.92331 
1 1 1 -8  6   14 o 226.0741 26.09636 13.06451       3.745277  10.63084       3.457225  23.84430       54.51169 
1 1 1 -8  6   15 o 246.9542 23.31492 13.97957       3.635756  14.03187       3.431779  -1.946304      48.73487 
1 1 1 -8  6   16 o 168.2220 33.28723 4.484229       3.374978  9.507627       3.326637  -59.53439      62.07574 
1 1 1 -8  6   17 o 84.60771 35.79884 2.270291       3.468297  -0.3465714     3.052585  22.51851       59.02758 
1 1 1 -8  6   18 o 135.8465 38.95568 5.044834       3.571718  5.200917       3.344868  -2.120087      66.65419 
1 1 1 -8  6   19 o 83.32731 35.81254 1.628449       3.489992  0.3581461      3.197398  10.25512       58.06313 
1 1 1 -8  6   20 o 86.64888 36.54887 1.636541       3.441093  1.212590       3.285742  3.703041       58.60518 
1 1 1 -8  6   21 o 93.44463 37.52885 5.220508       3.530212  0.5667647E-01  3.145827  38.17093       59.93278 
1 1 1 -8  7   1  o 319.5433 26.57518 20.54937       5.189024  25.90794       5.251698  -39.37274      55.28031 
1 1 1 -8  7   2  o 231.6416 31.96440 12.66867       4.651906  12.28154       4.309205  2.142334       66.32897 
1 1 1 -8  7   3  o 130.2038 43.66575 -0.9402421     4.147555  8.701078       4.165733  -84.43942      67.61919 
1 1 1 -8  7   4  o 765.9161 22.83599 128.5691       10.82068  133.4550       10.85454  -14.61743      46.15781 
1 1 1 -8  7   5  o 389.5572 23.39611 34.40332       5.619828  33.38823       5.635453  6.086090       47.49970 
1 1 1 -8  7   6  o 280.9508 29.76783 17.91423       5.546896  17.80283       4.760888  -1.875671      62.43887 
1 1 1 -8  7   7  o 238.1636 23.47463 14.86793       3.614031  10.94219       3.259467  37.51669       48.34227 
1 1 1 -8  7   8  o 510.0144 16.04205 55.99221       5.135201  58.80810       5.005201  -12.84122      32.27889 
1 1 1 -8  7   9  f 682.8114 16.26804 107.4125       7.148685  99.12382       6.658456  27.04144       32.73404 
1 1 1 -8  7   10 o 276.4888 29.96257 0.000000       0.000000  17.42931       3.575767  ?              ?        
1 1 1 -8  7   11 o 184.8889 43.58160 0.000000       0.000000  8.238151       3.476264  ?              ?        
1 1 1 -8  7   12 o 701.6528 16.83696 105.3738       7.338576  112.5531       7.318030  -23.52081      33.92420 
1 1 1 -8  7   13 o 99.83353 38.42127 -0.1696494     3.456266  3.358560       3.260628  -28.10747      62.55806 
1 1 1 -8  7   14 o 86.08095 36.34767 -1.917187      3.393847  2.668694       3.268720  -32.00684      59.82800 
1 1 1 -8  7   15 o 222.4602 26.95755 9.908516       3.722258  13.15378       3.570940  -36.26622      57.46295 
1 1 1 -8  7   16 o 356.9296 19.64029 27.62800       4.316472  30.61647       4.347315  -19.42419      40.38665 
1 1 1 -8  7   17 o 131.0312 38.44152 4.380198       3.484355  4.859829       3.190087  -5.138016      65.38024 
1 1 1 -8  7   18 f 151.2136 38.44683 10.98280       3.863082  2.759298       3.407281  83.32635       64.36715 
1 1 1 -8  7   19 o 90.20957 37.44917 0.6458765      3.574804  2.602205       3.327411  -11.47340      59.81955 
1 1 1 -8  7   20 o 224.3437 28.81814 14.37146       4.138821  12.02835       3.729062  16.98177       63.97897 
1 1 1 -8  7   21 o 95.57558 38.54702 1.826453       3.623887  3.313440       3.424741  -9.259224      60.57113 
1 1 1 -8  8   1  o 114.8500 42.94793 4.828451       4.274471  0.4939896      3.979366  37.81731       70.32060 
1 1 1 -8  8   2  o 370.5523 18.75148 32.55592       4.416676  28.76565       4.185125  22.99466       37.92498 
1 1 1 -8  8   3  o 143.8058 35.42681 4.830880       3.295109  4.941683       3.003710  -0.5448151     63.51445 
1 1 1 -8  8   4  o 397.6407 25.43516 35.42583       4.413098  0.000000       0.000000  ?              ?        
1 1 1 -8  8   5  o 1157.269 20.28128 305.2977       14.91587  288.7202       14.22748  32.07703       40.79398 
1 1 1 -8  8   6  o 540.1726 16.42129 68.55920       5.789473  61.04816       5.243166  31.05023       33.02434 
1 1 1 -8  8   7  o 340.1934 18.79737 23.38688       4.011592  27.80181       3.893781  -30.25058      38.26421 
1 1 1 -8  8   8  o 670.7986 16.24698 97.04061       6.770905  101.6279       6.750216  -15.70221      32.68271 
1 1 1 -8  8   9  o 150.7581 35.42561 4.157573       3.250435  6.585823       3.262532  -29.17603      63.68500 
1 1 1 -8  8   10 o 180.1835 36.17460 4.632206       5.221393  8.850544       3.250723  -41.02019      69.78534 
1 1 1 -8  8   11 o 108.0511 39.93193 2.168542       3.778016  2.243937       3.343672  3.686722       66.02145 
1 1 1 -8  8   12 o 264.5678 26.46419 16.40060       4.425538  15.42602       4.157038  7.521210       54.88968 
1 1 1 -8  8   13 o 161.0061 36.11531 2.927674       3.601011  9.286772       3.440441  -71.15544      63.02855 
1 1 1 -8  8   14 o 88.49137 36.77400 -0.2370913     3.423044  1.651633       3.237251  -11.97918      60.58909 
1 1 1 -8  8   15 o 90.36263 37.17241 2.455020       3.420559  -0.2273302     3.287484  21.63701       61.01651 
1 1 1 -8  8   16 o 102.1077 38.67010 2.379141       3.402244  2.277143       3.324440  1.384949       62.90624 
1 1 1 -8  8   17 o 141.0460 38.85624 3.857157       3.592409  6.907725       3.429106  -32.15806      66.32893 
1 1 1 -8  8   18 o 76.03874 35.25793 -1.074955      3.457786  -0.8266788     4.791870  -12.52126      59.28752 
1 1 1 -8  8   19 o 206.6658 28.89001 11.47569       3.761855  10.73591       3.462026  2.705078       63.00444 
1 1 1 -8  8   20 o 197.1569 31.91758 6.943836       3.845325  13.94694       3.699320  -79.62842      64.20399 
1 1 1 -8  8   21 o 117.7655 40.60178 3.504423       3.792759  5.677421       3.428492  -18.30027      64.33360 
1 1 1 -8  9   1  o 442.8477 17.24547 42.14468       4.662386  44.79240       4.797308  -13.48749      34.73247 
1 1 1 -8  9   2  o 167.4989 32.12795 5.536793       3.327721  7.379970       3.116257  -22.90779      61.60347 
1 1 1 -8  9   3  o 204.6248 27.82500 10.30287       3.621512  8.878379       3.284158  15.03407       57.16944 
1 1 1 -8  9   4  o 420.5463 23.78304 0.000000       0.000000  39.42143       4.369269  ?              ?        
1 1 1 -8  9   5  o 432.1578 17.50876 39.44410       4.793638  43.00637       4.581493  -19.29791      35.39342 
1 1 1 -8  9   6  f 327.6117 20.52235 27.67570       4.509008  21.05038       3.864522  45.02792       41.57151 
1 1 1 -8  9   7  o 302.4169 21.51933 17.65040       4.102078  22.89222       3.924893  -41.01370      44.59767 
1 1 1 -8  9   8  o 464.9147 17.34867 48.32637       5.191056  47.49276       4.818732  3.416931       35.01801 
1 1 1 -8  9   9  o 180.8152 32.74704 6.561001       3.779758  8.470717       3.337093  -23.25603      64.15990 
1 1 1 -8  9   10 o 308.3993 21.27569 21.45380       4.226593  21.14398       3.885382  1.232208       43.47036 
1 1 1 -8  9   11 o 298.2091 22.34296 16.85127       4.161928  22.85320       4.046641  -47.71039      46.62491 
1 1 1 -8  9   12 o 198.4008 33.83074 9.800297       4.130501  8.763500       3.907581  10.69138       67.43999 
1 1 1 -8  9   13 o 114.2627 40.32124 3.088450       3.728709  2.697410       3.410372  6.027718       66.61834 
1 1 1 -8  9   14 o 182.6893 32.28227 5.418610       3.521641  10.67270       3.527673  -61.07545      62.57421 
1 1 1 -8  9   15 o 223.2133 26.59522 14.37398       3.750269  9.521920       3.484619  49.57198       56.50060 
1 1 1 -8  9   16 o 233.7768 26.80603 13.15117       3.787304  13.21742       3.847583  0.8148193E-01  57.69145 
1 1 1 -8  9   17 o 93.66613 37.96413 -0.4756632E-01 3.499952  3.387383       3.370574  -23.95614      61.04658 
1 1 1 -8  9   18 o 185.9647 33.00957 9.262786       3.828042  9.123526       3.527275  -2.794312      67.26228 
1 1 1 -8  9   19 o 85.59240 36.38399 2.459321       3.577082  0.5965271      3.201601  13.72689       58.37694 
1 1 1 -8  9   20 o 67.00329 31.43772 -1.189757      3.550445  -0.7572285     3.106598  1.977837       51.85891 
1 1 1 -8  9   21 o 84.02140 38.36665 0.000000       0.000000  1.060127       3.146697  ?              ?        
1 1 1 -8  10  1  o 229.7121 25.60517 12.08598       3.665561  11.69269       3.512637  3.517471       52.91360 
1 1 1 -8  10  2  o 176.5585 31.94645 7.086473       3.336546  7.305171       3.404681  -2.578171      62.36240 
1 1 1 -8  10  3  o 292.8712 23.07813 14.80507       3.984344  24.34308       4.358478  -74.81071      47.93908 
1 1 1 -8  10  4  f 389.9375 18.35570 33.01691       4.582992  34.24452       4.286887  -7.768982      37.14989 
1 1 1 -8  10  5  o 284.2803 22.81993 19.68223       4.154433  16.65452       3.844384  23.96335       46.57532 
1 1 1 -8  10  6  o 363.7739 19.72910 24.45264       4.454445  34.24979       4.416477  -62.57672      40.61870 
1 1 1 -8  10  7  o 498.1243 17.70134 54.59411       5.585663  55.32585       5.344258  -3.832275      35.69549 
1 1 1 -8  10  8  o 348.2354 20.22327 28.64462       4.571681  25.72385       4.157352  18.23590       41.03474 
1 1 1 -8  10  9  o 287.6219 22.82775 16.53391       4.154485  20.44544       3.933548  -32.88434      47.56538 
1 1 1 -8  10  10 o 121.9042 42.01343 0.7701225      4.113503  5.157644       3.633430  -35.17516      68.20454 
1 1 1 -8  10  11 o 678.1605 17.71862 97.93115       7.520223  106.1379       7.376716  -28.14545      35.75928 
1 1 1 -8  10  12 o 349.3059 20.78176 28.79018       4.654176  26.20968       4.328829  15.90067       42.32171 
1 1 1 -8  10  13 o 184.8856 34.42716 7.229943       3.955013  9.127207       3.667521  -22.78299      67.23788 
1 1 1 -8  10  14 o 142.8063 39.55017 5.339396       3.789207  5.104881       3.477951  2.706970       68.63708 
1 1 1 -8  10  15 o 183.7303 33.43642 10.12704       3.701499  6.786672       3.640189  38.08630       65.75529 
1 1 1 -8  10  16 o 107.9511 39.89072 1.296631       3.553529  4.643477       3.513904  -27.25178      64.08855 
1 1 1 -8  10  17 o 180.1550 33.88150 10.38037       3.823456  7.006049       3.493701  34.93628       66.82824 
1 1 1 -8  10  18 o 118.7969 40.11755 5.130327       3.533232  3.386015       3.483870  15.17388       65.09607 
1 1 1 -8  10  19 o 81.10169 35.97444 -1.086532      3.817590  2.381980       3.420987  -15.61115      57.39632 
1 1 1 -8  10  20 o 116.7420 41.37134 5.099546       3.946845  4.447289       3.579820  3.620987       65.43702 
1 1 1 -8  10  21 o 115.6454 40.61737 6.069309       3.753044  3.795990       3.479061  15.79170       64.03697 
1 1 1 -8  11  1  o 161.6002 35.64430 7.337640       3.839440  5.248044       3.201022  25.36530       66.05953 
1 1 1 -8  11  2  o 299.5972 21.45177 20.25092       4.151558  19.76902       3.793340  2.866882       43.74020 
1 1 1 -8  11  3  o 223.4197 27.21915 12.73003       3.776613  9.973319       3.617681  28.50027       56.31602 
1 1 1 -8  11  4  o 209.6103 29.24035 7.706209       3.657155  12.43433       3.741610  -51.80774      59.95961 
1 1 1 -8  11  5  f 664.9061 17.62548 96.12872       7.322632  99.49777       7.205401  -11.81995      35.46599 
1 1 1 -8  11  6  o 345.3609 20.18019 31.02901       4.601756  23.09635       4.058216  51.43344       40.90472 
1 1 1 -8  11  7  o 223.0398 27.87120 8.009275       3.854228  14.43691       3.695229  -68.53583      59.12094 
1 1 1 -8  11  8  o 110.5548 40.65231 3.171431       3.806994  1.716799       3.532658  15.33131       67.07594 
1 1 1 -8  11  9  o 140.0279 42.37675 3.628447       4.090722  5.579542       3.905620  -18.15735      71.51839 
1 1 1 -8  11  10 o 182.7823 37.19675 9.077506       4.232908  6.959925       3.931515  22.86623       70.47643 
1 1 1 -8  11  11 o 76.77174 35.43973 -6.139640      4.106320  1.726636       3.794320  -36.77125      60.76414 
1 1 1 -8  11  12 o 184.4166 37.00991 8.038028       4.406996  8.442558       3.827111  -6.249573      71.11140 
1 1 1 -8  11  13 o 202.9872 32.24928 8.831424       4.107862  10.78811       3.764701  -24.12851      66.03413 
1 1 1 -8  11  14 o 106.1099 40.10012 7.381100       3.897393  -1.258150      3.380456  76.11738       63.64785 
1 1 1 -8  11  15 o 115.5809 40.43110 1.900765       3.676070  4.822112       3.477988  -24.79829      65.50992 
1 1 1 -8  11  16 o 127.2536 40.34014 7.093103       3.748211  2.581110       3.419343  42.14646       66.26406 
1 1 1 -8  11  17 o 137.6941 40.90828 6.971619       4.066420  4.581968       3.495431  20.33769       69.26242 
1 1 1 -8  11  18 o 116.3395 40.75988 0.8399963      3.666759  7.509106       3.598494  -53.87236      63.65916 
1 1 1 -8  11  19 o 65.03367 30.94050 0.5617380      3.624979  -2.985862      3.240149  17.86437       51.90958 
1 1 1 -8  11  20 o 78.99068 35.23828 3.493365       3.637793  -1.056800      3.390430  24.19170       56.26717 
1 1 1 -8  11  21 o 111.2187 40.71048 4.850362       3.854772  4.643515       3.502533  -0.1347733     63.02611 
1 1 1 -8  12  1  o 469.9276 18.61255 48.66536       5.702693  49.16183       5.166756  -3.417908      37.71676 
1 1 1 -8  12  2  o 402.0422 19.20819 37.23242       5.036364  34.76987       4.553238  13.09723       38.86545 
1 1 1 -8  12  3  o 103.5666 39.10046 1.322603       3.620060  2.312181       3.270002  -4.843857      64.49355 
1 1 1 -8  12  4  o 301.9496 22.15746 23.61090       4.401088  17.88495       3.888907  42.38120       45.17828 
1 1 1 -8  12  5  o 109.7914 39.72525 1.672417       3.594650  3.037047       3.369450  -10.30635      65.44756 
1 1 1 -8  12  6  o 372.1881 20.45902 32.51934       4.822232  29.48197       4.596536  18.22537       41.47798 
1 1 1 -8  12  7  o 339.4112 22.18172 26.97627       4.954210  24.94629       4.386672  11.94952       45.35217 
1 1 1 -8  12  8  o 208.3147 33.28948 16.85627       4.504064  5.117752       3.879483  118.7065       63.92559 
1 1 1 -8  12  9  o 179.9534 37.30159 10.46173       4.241732  5.451721       3.842004  54.31894       69.11246 
1 1 1 -8  12  10 o 301.3393 36.74131 0.000000       0.000000  21.32521       4.756083  ?              ?        
1 1 1 -8  12  11 o 502.7611 28.52692 58.04365       6.265161  0.000000       0.000000  ?              ?        
1 1 1 -8  12  12 o 113.0830 42.55801 0.7162458      4.056996  4.612628       4.059491  -30.65474      69.11832 
1 1 1 -8  12  13 o 98.56953 39.48070 -0.7108689     3.838783  3.632204       3.513941  -29.22240      63.77448 
1 1 1 -8  12  14 o 153.1632 38.93583 6.974418       3.919128  5.554957       3.525545  14.03479       69.44618 
1 1 1 -8  12  15 o 157.8350 38.47353 6.875235       3.891722  6.752546       3.590697  -0.5368652     69.62384 
1 1 1 -8  12  16 o 91.05921 38.12086 6.318954       3.998984  -1.802714      3.321156  59.45639       62.54052 
1 1 1 -8  12  17 o 99.19366 42.98455 0.000000       0.000000  2.140607       3.451665  ?              ?        
1 1 1 -8  12  18 o 102.4123 40.24572 2.265432       3.898697  4.048789       3.600897  -11.36681      63.05368 
1 1 1 -8  12  19 o 73.03788 33.62197 1.074776       3.717019  -0.9054974     3.337595  11.53539       54.48941 
1 1 1 -8  12  20 f 102.3784 39.86584 1.461488       3.816246  5.927015       3.491274  -28.68903      60.91426 
1 1 1 -8  12  21 o 82.39570 38.57045 0.000000       0.000000  1.537637       3.484890  ?              ?        
1 1 1 -8  13  1  o 134.3179 41.39125 -2.480680      3.891793  10.23275       3.693711  -115.3802      59.57143 
1 1 1 -8  13  2  o 137.8786 40.71481 5.189019       3.946404  3.930361       3.532801  15.10867       69.58210 
1 1 1 -8  13  3  o 244.1046 26.90143 19.17616       4.386416  9.515221       3.710060  89.21721       56.40439 
1 1 1 -8  13  4  o 251.8534 25.90407 15.16800       4.188131  13.73806       3.816427  11.76320       53.76581 
1 1 1 -8  13  5  o 302.2289 23.42500 23.62753       4.596066  18.05239       4.152482  41.34290       48.02721 
1 1 1 -8  13  6  o 90.29050 38.36097 -3.249603      3.980288  3.106265       3.550434  -37.66005      62.93432 
1 1 1 -8  13  7  o 248.0085 31.55556 13.07542       4.998371  15.08324       4.526420  -21.51181      66.40574 
1 1 1 -8  13  8  o 137.1413 44.15365 3.050543       4.441819  5.553813       4.111380  -20.69905      73.40905 
1 1 1 -8  13  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  13  10 o 212.0341 34.93513 10.79122       4.408348  10.66622       4.462346  1.611603       70.62370 
1 1 1 -8  13  11 o 291.6233 26.48572 15.37506       4.790329  23.75560       4.689401  -70.13647      57.62767 
1 1 1 -8  13  12 o 142.2561 46.29961 7.666925       4.140989  1.100394       5.518866  45.80816       74.09084 
1 1 1 -8  13  13 o 221.4265 31.95690 12.18430       4.502663  11.93517       4.057230  -2.240921      67.66086 
1 1 1 -8  13  14 o 214.7241 32.48854 10.80095       4.438231  12.27246       3.983163  -21.63065      68.67693 
1 1 1 -8  13  15 o 126.7503 42.64028 3.643378       4.207120  5.720808       3.757748  -17.17873      69.00114 
1 1 1 -8  13  16 o 120.0515 42.70562 3.684674       4.138881  4.966844       3.872556  -9.737556      68.40938 
1 1 1 -8  13  17 o 147.1564 42.04221 4.729981       4.171223  8.886950       3.899994  -38.67210      69.82617 
1 1 1 -8  13  18 o 126.5122 41.64497 3.868789       3.901577  7.131471       3.678133  -27.08991      66.25932 
1 1 1 -8  13  19 o 74.61610 34.25493 1.165193       3.840389  -0.3808145     3.418728  9.132698       54.87898 
1 1 1 -8  13  20 o 179.2013 36.87692 12.00173       4.181243  9.244263       3.774920  17.66409       71.70839 
1 1 1 -8  13  21 o 82.53387 36.38954 2.822022       3.928794  1.741434       3.395780  5.492668       55.67863 
1 1 1 -8  14  1  o 100.9238 41.56427 1.883587       4.263536  0.1044058      4.133807  13.78442       68.86803 
1 1 1 -8  14  2  o 381.2637 22.96972 26.68796       5.433327  38.33649       5.381598  -71.58688      47.78058 
1 1 1 -8  14  3  o 247.5072 30.46339 14.82199       4.794976  13.41423       4.389099  11.52759       63.47067 
1 1 1 -8  14  4  o 185.1337 38.45237 7.993604       4.553889  8.301051       4.035770  -3.813614      72.77401 
1 1 1 -8  14  5  o 396.8418 21.98678 38.55110       5.736239  32.62412       5.101953  32.54962       44.65806 
1 1 1 -8  14  6  o 201.3282 34.98247 12.23537       4.501905  7.420818       3.969099  50.00993       68.64444 
1 1 1 -8  14  7  x ?        ?        -44.04428      6.310352  -18.90479      5.043515  ?              ?        
1 1 1 -8  14  8  o 61.80619 30.54694 -4.452816      4.602220  -7.912256      4.034473  18.77750       55.97708 
1 1 1 -8  14  9  o 172.1203 42.42397 8.242752       4.738358  6.736534       4.294583  14.73523       76.29052 
1 1 1 -8  14  10 o 196.9127 38.43194 5.748236       4.670442  12.99558       4.393929  -74.14357      71.55209 
1 1 1 -8  14  11 o 100.8820 41.39287 1.042003       4.567216  1.820935       3.817962  1.231224       67.81189 
1 1 1 -8  14  12 o 89.18619 42.14172 -2.905171      4.335357  0.000000       0.000000  ?              ?        
1 1 1 -8  14  13 o 92.13289 39.83295 -0.8445149     4.344700  2.223432       4.019252  -14.79606      64.76821 
1 1 1 -8  14  14 o 109.2127 41.31583 2.376289       4.154965  3.806203       3.580902  -8.538300      66.11893 
1 1 1 -8  14  15 o 94.97588 39.83394 0.5591987      4.230837  2.928743       3.729244  -11.37557      63.37151 
1 1 1 -8  14  16 o 77.79556 35.80201 0.4656177      4.202722  -0.8767594     3.786365  8.844727       58.39887 
1 1 1 -8  14  17 o 82.38046 36.72345 3.708011       4.004853  -1.219032      3.627484  26.37891       59.10030 
1 1 1 -8  14  18 o 74.83582 34.63610 -0.4712388     3.989190  0.7805638      3.636129  -3.255379      55.08426 
1 1 1 -8  14  19 o 71.58015 33.71114 0.3333950      4.082328  -0.4735782     3.678649  4.806244       53.60106 
1 1 1 -8  14  20 o 141.8239 42.64563 12.05235       4.471905  5.298528       3.736703  40.23650       69.22025 
1 1 1 -8  15  1  o 141.9880 45.59462 6.477996       4.811520  3.282608       4.330651  30.89265       76.23616 
1 1 1 -8  15  2  o 236.5426 32.87703 14.82700       4.800322  11.24733       4.594261  34.33949       67.84712 
1 1 1 -8  15  3  o 82.82146 38.05444 0.1212392E-01  4.566770  -3.803720      4.378900  21.46771       65.40067 
1 1 1 -8  15  4  o 73.54932 35.38747 -8.683981      4.883713  -0.9547047     4.626169  -26.25133      62.70589 
1 1 1 -8  15  5  o 298.4565 27.80986 19.80566       5.365085  20.78312       4.852315  -10.46637      58.36459 
1 1 1 -8  15  6  o 185.3521 38.68196 7.043428       4.504172  9.400757       4.127627  -25.63878      72.74014 
1 1 1 -8  15  7  o 174.8500 41.08301 4.129768       4.683284  10.25164       4.128816  -60.69148      71.97079 
1 1 1 -8  15  8  o 96.74895 40.37315 3.734921       4.359706  -1.150308      3.770933  39.24931       67.13818 
1 1 1 -8  15  9  o 209.0178 35.59871 12.79281       4.700036  8.949387       4.236715  37.21538       71.44130 
1 1 1 -8  15  10 o 188.0266 39.00732 5.498909       4.606172  11.94172       4.219968  -66.82956      71.44740 
1 1 1 -8  15  11 o 172.0983 47.41796 3.464522       7.032380  10.16790       4.340645  -51.68314      78.92798 
1 1 1 -8  15  12 o 133.3691 49.49379 3.902034       4.746435  7.347958       6.601673  -23.60741      80.89170 
1 1 1 -8  15  13 o 125.3664 44.03666 5.374043       4.673878  4.069084       3.910388  10.31379       71.53690 
1 1 1 -8  15  14 o 98.72361 41.28194 2.595652       4.722415  2.043386       3.865152  6.516182       65.81613 
1 1 1 -8  15  15 o 91.00428 39.64645 4.458371       4.549822  -0.7832943     3.918242  30.28190       64.12949 
1 1 1 -8  15  16 o 145.8586 44.52641 8.009073       4.767629  6.983863       4.102173  2.516403       73.25835 
1 1 1 -8  15  17 o 98.14998 40.47940 4.088130       4.296128  2.696170       3.738611  7.671455       62.50703 
1 1 1 -8  15  18 o 80.95597 36.31042 -1.640521      3.959535  3.866852       3.620131  -23.73700      56.82933 
1 1 1 -8  15  19 o 70.58727 33.25786 0.4225881E-01  3.951750  0.3306784      3.609128  0.3562012      52.19536 
1 1 1 -8  15  20 o 75.74074 35.02300 -1.931057      3.985015  4.439098       3.769456  -22.71351      54.06364 
1 1 1 -8  16  1  o 142.4838 44.92459 5.583787       4.533521  4.327038       4.344552  12.11455       75.39493 
1 1 1 -8  16  2  o 174.0594 42.79569 7.907362       4.615260  7.113091       4.560900  7.891663       76.85614 
1 1 1 -8  16  3  o 95.82655 40.73859 -1.351532      4.249850  2.322603       4.211272  -22.94508      67.41930 
1 1 1 -8  16  4  o 71.46677 34.04587 -1.592583      4.165858  -5.108290      4.162880  15.09426       59.48342 
1 1 1 -8  16  5  o 239.0435 33.84259 14.93532       4.992867  12.34661       4.770977  23.82497       70.50483 
1 1 1 -8  16  6  o 80.95326 36.99298 -2.881291      4.324335  -0.1310559     3.990034  -10.03855      62.55998 
1 1 1 -8  16  7  o 186.8608 39.00415 6.942904       4.541818  10.27629       4.224992  -35.89629      73.21481 
1 1 1 -8  16  8  o 228.3807 34.13277 11.12438       5.081535  13.90010       4.372774  -34.12567      71.77731 
1 1 1 -8  16  9  o 288.2398 27.94073 18.20999       5.137756  21.00363       4.751366  -27.73636      60.53150 
1 1 1 -8  16  10 o 109.4720 42.71082 2.945864       4.508380  2.471712       3.927325  6.598846       69.27325 
1 1 1 -8  16  11 o 119.1352 46.85228 -5.710601      7.533635  6.383644       4.079479  -40.67765      72.09842 
1 1 1 -8  16  12 o 88.74342 40.63684 1.239115       4.564503  -2.577818      5.699787  7.561211       65.99295 
1 1 1 -8  16  13 o 116.2943 43.05918 4.744152       4.642426  3.771665       3.742927  7.099724       68.86887 
1 1 1 -8  16  14 o 95.90256 40.77092 2.177930       4.515259  2.001914       4.004818  2.959152       64.58581 
1 1 1 -8  16  15 o 87.80389 39.33486 1.344521       4.945772  1.233483       4.032208  4.073471       62.22863 
1 1 1 -8  16  16 o 87.78216 39.11400 5.160842       4.681092  -0.6181777     4.012482  26.87646       61.92868 
1 1 1 -8  16  17 o 59.00600 29.31408 -2.667436      4.448754  -4.940806      3.898796  9.101250       49.23239 
1 1 1 -8  16  18 o 85.43902 38.32253 -1.312499      4.553344  5.162372       3.932919  -24.38229      58.28099 
1 1 1 -8  16  19 o 65.67824 31.85394 -1.676238      4.438457  -0.3790166     3.736906  -0.5492096     50.39604 
1 1 1 -8  16  20 o 81.40665 40.92679 3.306810       6.534272  0.000000       0.000000  ?              ?        
1 1 1 -8  17  1  f 86.09111 39.06815 -1.613753      4.311866  -0.6226321     4.773012  -9.951096      65.97554 
1 1 1 -8  17  2  o 120.9351 44.89760 4.260027       4.597279  2.275250       4.381798  16.38221       73.37857 
1 1 1 -8  17  3  o 128.3964 45.16075 0.8436523      4.479861  7.008067       4.443897  -49.09468      72.62074 
1 1 1 -8  17  4  o 118.8554 44.30373 2.997402       4.366529  3.270233       4.385900  -2.188721      72.31411 
1 1 1 -8  17  5  o 103.0958 41.98797 3.665704       4.354738  -0.1328378     4.103659  27.85065       68.66007 
1 1 1 -8  17  6  o 67.07793 32.32475 -3.207356      4.053099  -4.007356      3.949102  4.435394       56.31169 
1 1 1 -8  17  7  o 84.53987 37.96956 -5.744117      4.148026  4.729613       4.146354  -57.67584      63.50851 
1 1 1 -8  17  8  o 110.9994 43.60712 4.195817       4.561325  1.443691       4.238058  20.53986       70.59497 
1 1 1 -8  17  9  o 85.83363 38.53955 -4.964780      4.636104  3.279565       3.977613  -35.00993      63.12957 
1 1 1 -8  17  10 o 83.73137 37.99564 1.507124       4.632322  -1.769146      3.996383  20.98176       63.24598 
1 1 1 -8  17  11 o 137.6874 50.73013 0.000000       0.000000  6.464059       4.035890  ?              ?        
1 1 1 -8  17  12 o 91.16333 41.59233 1.520272       4.832439  -0.6570287     5.706832  4.057335       66.27740 
1 1 1 -8  17  13 o 83.29687 37.96253 -1.308923      4.647086  1.419016       4.069962  -8.158157      61.01192 
1 1 1 -8  17  14 o 85.15668 38.12048 0.4002085      4.488620  1.597433       3.866021  -2.547607      60.33403 
1 1 1 -8  17  15 f 89.19187 39.25591 1.218390       4.593607  2.694184       3.910187  -4.868202      60.81605 
1 1 1 -8  17  16 o 70.43674 33.67136 -2.359684      4.607611  0.4324670      3.802662  -4.670670      53.63688 
1 1 1 -8  17  17 o 74.67591 35.17073 -0.1115369     4.690027  0.6877415      3.848707  0.3393097      55.00407 
1 1 1 -8  17  18 o 60.20809 29.92565 -1.472970      4.693515  -4.053491      4.059321  8.299797       48.62783 
1 1 1 -8  17  19 o 70.83317 33.88773 1.234923       4.716369  0.4297867      3.851897  3.776527       51.80137 
1 1 1 -8  18  1  o 97.87753 43.03077 0.8574088      4.667871  -0.4314141     5.535662  -0.6143875     70.80500 
1 1 1 -8  18  2  o 131.4628 47.42169 6.982057       4.704475  1.305009       5.237318  38.09890       75.75391 
1 1 1 -8  18  3  o 113.4402 44.64656 1.031926       4.576567  4.495953       4.643860  -23.50552      72.15981 
1 1 1 -8  18  4  o 105.2173 43.00887 3.366731       4.424590  0.5235775      4.478335  17.65686       69.65999 
1 1 1 -8  18  5  o 142.9051 45.00968 6.410594       4.500376  4.870237       4.408940  13.23839       74.95365 
1 1 1 -8  18  6  o 133.9832 45.40074 7.854451       4.686106  2.498353       4.322529  43.35485       73.78590 
1 1 1 -8  18  7  o 98.26482 41.53857 6.304869       4.429555  -3.065246      4.286668  57.50580       67.10806 
1 1 1 -8  18  8  o 108.4234 42.76758 2.181764       4.270415  3.499848       4.207067  -8.503136      68.52846 
1 1 1 -8  18  9  o 128.0802 44.89705 5.574931       4.594649  4.495625       4.241101  7.880737       72.36642 
1 1 1 -8  18  10 o 136.0914 45.48321 3.532358       4.977840  7.782773       4.153779  -32.81073      72.12280 
1 1 1 -8  18  11 o 141.4572 49.16225 -3.004850      8.164028  9.820426       4.196192  -61.85712      72.29357 
1 1 1 -8  18  12 o 94.47744 41.08364 -2.374574      4.843791  5.195755       4.205972  -33.49267      64.41380 
1 1 1 -8  18  13 o 66.32973 32.39307 -3.092451      4.916492  -2.996075      3.993838  6.216324       54.09981 
1 1 1 -8  18  14 o 73.90561 35.02401 0.7712759E-02  4.816508  -0.9440413     3.911536  7.611732       56.36104 
1 1 1 -8  18  15 f 67.45280 32.93319 -5.555494      4.938551  0.6710548      4.197436  -11.84391      53.11470 
1 1 1 -8  18  16 o 64.51425 31.55040 -1.601431      4.672966  -2.297214      3.848878  6.061066       51.20688 
1 1 1 -8  18  17 o 89.49756 39.47413 3.683208       4.764667  3.735276       3.916830  -1.368431      58.11868 
1 1 1 -8  18  18 o 89.49183 41.59090 0.000000       0.000000  4.932417       3.936035  ?              ?        
1 1 1 -8  18  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  19  1  o 124.6657 51.58568 7.004006       6.333226  0.5985156      6.694518  28.71629       81.24681 
1 1 1 -8  19  2  o 101.3948 46.92817 -3.323427      6.970609  2.079584       6.982279  -17.48673      76.36861 
1 1 1 -8  19  3  o 177.9118 57.54606 12.48411       7.002470  8.585494       7.509482  25.04008       92.80382 
1 1 1 -8  19  4  o 128.4164 50.01883 4.798279       6.522471  4.750443       5.179150  2.533585       79.51423 
1 1 1 -8  19  5  o 92.86845 40.83291 1.372329       4.594603  0.2967452      4.497727  6.037239       66.08916 
1 1 1 -8  19  6  o 129.0424 45.58320 6.984842       4.703452  3.394970       4.409383  25.97281       73.21516 
1 1 1 -8  19  7  o 83.77774 37.93793 -0.5179001E-02 4.248408  0.1362048      4.230927  -0.5327606     61.63451 
1 1 1 -8  19  8  o 85.55022 38.50177 -2.782203      4.289581  3.661675       4.287815  -30.41154      62.54311 
1 1 1 -8  19  9  o 74.20580 35.34217 -0.8544427     4.693161  -2.755936      4.296973  9.630981       58.70443 
1 1 1 -8  19  10 o 83.58491 38.07499 0.3979576      4.535666  0.1947261      4.183277  2.916161       61.24265 
1 1 1 -8  19  11 o 97.54876 43.48602 -1.188058      7.148640  3.702011       4.437391  -9.611908      67.22318 
1 1 1 -8  19  12 o 82.91431 40.26855 -1.346004      4.609776  0.000000       0.000000  ?              ?        
1 1 1 -8  19  13 o 66.50443 32.35458 -8.859344      4.524880  3.219785       4.032894  -32.09608      54.21832 
1 1 1 -8  19  14 o 70.02104 33.87914 -0.8651042     5.046619  -1.193162      4.105087  4.748047       53.98114 
1 1 1 -8  19  15 o 84.94850 38.54125 3.117974       5.022125  1.828917       3.964577  5.476585       58.63847 
1 1 1 -8  19  16 o 70.47955 33.99009 4.539302       4.991358  -2.701936      4.043390  20.67747       53.79671 
1 1 1 -8  19  17 o 61.38418 30.37146 -5.360618      4.925044  0.2328832      3.840496  -7.080688      48.07006 
1 1 1 -8  19  18 o 71.23466 34.35784 0.1823043      5.180360  2.198418       4.094395  -3.434319      51.16259 
1 1 1 -8  20  1  o 96.60139 46.30819 -3.915729      6.358944  2.446544       12.13426  -32.76079      79.38585 
1 1 1 -8  20  2  o 103.4117 48.68720 -0.7983979     6.422520  0.8785654      12.29122  -20.43623      80.21338 
1 1 1 -8  20  3  o 117.1195 51.71761 6.036601       6.561876  -1.019748      8.561660  18.47948       79.96696 
1 1 1 -8  20  4  o 79.61964 37.89148 -0.2336049     4.756874  -4.785665      5.612062  8.615547       62.62112 
1 1 1 -8  20  5  o 70.77559 34.84127 -3.559062      4.765862  -8.062355      6.363181  -1.150879      59.24256 
1 1 1 -8  20  6  o 79.49585 38.20253 -2.624400      5.036562  -2.497017      6.112430  -7.039894      63.25522 
1 1 1 -8  20  7  o 113.5710 49.17289 6.211843       6.634079  2.031209       6.147816  16.48302       75.99323 
1 1 1 -8  20  8  o 80.12143 38.99266 -5.974937      6.346940  -0.5220695     6.060091  -11.32032      63.74939 
1 1 1 -8  20  9  o 118.6754 50.04319 2.651378       6.659671  8.198142       5.988725  -21.64581      75.11007 
1 1 1 -8  20  10 o 67.83044 33.96591 -9.693967      6.873859  -4.521206      5.480875  -1.322273      56.48483 
1 1 1 -8  20  11 o 91.67117 43.45589 3.598462       7.169666  0.4105614      6.179845  8.540009       66.28734 
1 1 1 -8  20  12 o 84.72054 40.96748 -1.103082      6.926771  2.326061       6.248198  -5.606094      62.32470 
1 1 1 -8  20  13 o 87.26986 41.41977 -0.2635865     6.296892  4.904276       5.829511  -11.26101      61.83913 
1 1 1 -8  20  14 o 78.62225 38.30959 6.888928       6.587128  -4.248503      5.600034  22.78944       59.76552 
1 1 1 -8  20  15 o 83.10938 40.33678 3.682354       6.872838  3.296141       6.204270  0.4483414      58.33879 
1 1 1 -8  20  16 o 60.48254 30.73816 0.1790931      6.626442  -10.45263      5.753410  13.72539       49.56688 
1 1 1 -8  20  17 o 67.52842 33.89772 -0.2057503     6.669621  -0.8322093     5.846403  1.581398       50.75457 
1 1 1 -8  21  1  f 106.1532 45.30451 4.872481       4.722576  -0.1971158E-01 6.058910  17.98991       70.30334 
1 1 1 -8  21  2  o 77.28143 37.04357 -3.676102      4.626587  0.8926535E-01  5.741295  -18.49440      61.97462 
1 1 1 -8  21  3  o 88.70932 41.00265 -1.681402      4.717117  3.430490       6.171010  -24.19774      67.02179 
1 1 1 -8  21  4  o 73.35858 35.64819 -5.356675      4.658532  0.2803404      5.777713  -22.71326      60.52931 
1 1 1 -8  21  5  o 93.40284 42.29860 2.422525       4.946646  0.1045554      5.668953  6.073700       66.33904 
1 1 1 -8  21  6  o 87.42879 42.54127 -1.974582      6.661473  -1.745882      8.363688  -5.523064      67.51661 
1 1 1 -8  21  7  o 133.5550 54.73423 14.15572       7.038836  3.131251       7.443137  40.14737       80.36372 
1 1 1 -8  21  8  o 81.84437 39.78906 -0.4999478     6.663037  -2.361655      6.180286  5.457695       62.93497 
1 1 1 -8  21  9  o 70.98460 35.38361 -2.937027      6.386663  -6.499001      6.125165  7.063431       57.53408 
1 1 1 -8  21  10 o 73.98597 36.44022 -1.915966      6.212677  -2.516464      5.675912  2.874847       57.66091 
1 1 1 -8  21  11 o 81.85989 39.86257 -0.6306736     6.555749  1.675943       6.455382  -4.050400      60.53416 
1 1 1 -8  21  12 o 96.09062 45.17813 4.156423       7.247921  5.798341       6.579293  -3.842903      65.10944 
1 1 1 -8  21  13 o 89.35092 43.01354 2.991159       7.218170  5.960568       6.873864  -5.090942      61.77926 
1 1 1 -8  21  14 o 109.4782 49.39753 15.25489       7.908102  8.916265       6.515845  6.016205       65.50767 
1 1 1 -8  21  15 o 67.15005 33.91583 -0.3725453     7.183633  -3.947653      6.409873  4.773018       51.66037 
1 1 1 -8  21  16 o 76.65794 37.98457 4.720433       7.251089  3.462497       6.408602  1.028297       53.89486 
1 1 1 -8  22  1  f 109.7685 46.38120 6.247853       4.902681  1.398862       6.167200  19.65047       70.20963 
1 1 1 -8  22  2  o 86.25024 40.05107 0.9976704      4.613791  0.4589836E-01  5.916458  -1.534256      63.11873 
1 1 1 -8  22  3  o 125.4073 48.77107 7.825315       4.930391  4.764764       6.168963  18.11324       73.20033 
1 1 1 -8  22  4  o 98.66267 44.17265 5.941586       5.020324  -1.428102      6.335514  22.89487       67.01276 
1 1 1 -8  22  5  o 94.69811 42.70859 0.4384336      4.699490  6.572974       6.240078  -22.38850      66.64942 
1 1 1 -8  22  6  o 71.88657 34.96759 -3.609149      4.644749  0.2636619      5.369636  -13.14383      56.85067 
1 1 1 -8  22  7  o 90.39857 41.14646 3.699805       4.684980  0.7028170      5.558630  8.715240       62.45965 
1 1 1 -8  22  8  o 69.68245 33.90208 1.219602       4.476598  -5.064838      4.904794  14.03317       54.54014 
1 1 1 -8  22  9  o 70.67390 34.17565 -2.662379      4.435942  0.7828833      4.709476  -10.39074      54.54280 
1 1 1 -8  22  10 o 78.52891 36.60704 2.539763       4.474120  -0.1078077     4.261933  9.247238       56.53165 
1 1 1 -8  22  11 o 78.20608 36.87551 6.567588       5.104105  -2.092924      4.297668  25.99682       57.57343 
1 1 1 -8  22  12 o 70.41980 34.08772 3.612495       4.822886  -2.329016      4.357479  15.07331       52.79789 
1 1 1 -8  22  13 o 65.81900 32.26797 -2.425900      4.613685  1.072793       4.352517  -6.820244      49.93972 
1 1 1 -8  22  14 o 71.23827 34.37937 1.994600       4.757043  1.114020       4.393282  2.207176       51.10685 
1 1 1 -8  22  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -8  23  1  o 79.24464 37.76086 0.4993137      4.853735  -1.293646      5.458392  2.766907       59.49790 
1 1 1 -8  23  2  o 88.61844 41.22684 0.2372264      4.541479  5.310530       7.485446  -17.74007      65.13540 
1 1 1 -8  23  3  o 72.93595 35.61980 0.2469990      4.799228  -6.022670      6.003381  8.707336       57.17797 
1 1 1 -8  23  4  o 85.86546 39.99110 1.631389       4.774826  1.029996       5.735800  -0.3016968     61.61082 
1 1 1 -8  23  5  o 72.15047 35.37686 -1.332108      4.862609  -3.581553      6.129642  -0.2630234     56.50195 
1 1 1 -8  23  6  o 111.4577 46.83484 6.219658       4.813408  6.440021       6.549929  4.331421       68.27475 
1 1 1 -8  23  7  o 77.19982 37.19377 -1.188944      4.881662  2.179550       5.817717  -9.925140      57.74571 
1 1 1 -8  23  8  o 68.89851 33.86281 -3.416561      4.786998  0.8904874      5.313232  -10.60229      53.57654 
1 1 1 -8  23  9  o 75.38872 36.19649 0.1330678      4.590155  2.107635       5.307278  -5.758423      55.04683 
1 1 1 -8  23  10 o 80.98160 38.11615 2.957216       4.736195  2.243111       5.144440  1.773811       56.26884 
1 1 1 -8  23  11 o 59.96543 29.96293 1.037576       4.519992  -7.136340      4.687704  14.08512       48.27932 
1 1 1 -8  23  12 o 71.47155 34.51510 4.601972       4.782251  -1.409575      4.471963  13.75351       52.02145 
1 1 1 -8  23  13 o 62.37914 31.29153 1.401895       6.883262  -2.887436      4.412905  9.247517       48.50962 
1 1 1 -8  24  1  o 102.3707 44.29095 2.412755       4.674652  8.435771       5.854341  -20.12199      66.54459 
1 1 1 -8  24  2  o 67.47443 33.32401 -4.747441      4.711250  -0.2676574     5.533614  -12.87534      54.26842 
1 1 1 -8  24  3  o 85.08511 40.17155 -0.3224181     4.637968  7.384244       7.366328  -19.72941      62.57209 
1 1 1 -8  24  4  o 72.53049 35.33494 1.298841       4.574359  -4.693792      5.944035  8.448112       55.29318 
1 1 1 -8  24  5  o 85.97949 41.38173 1.669099       4.950647  8.192708       12.47516  -7.981262      62.28442 
1 1 1 -8  24  6  o 80.50146 38.67741 1.573563       5.135154  1.668623       6.295695  -1.310318      58.03861 
1 1 1 -8  24  7  o 74.48025 36.35889 -0.8015394     4.880586  2.286152       6.459871  -8.051193      55.62955 
1 1 1 -8  24  8  o 67.68320 33.50900 0.7757088E-01  4.776220  -3.269567      5.881624  3.046249       51.78920 
1 1 1 -8  24  9  o 82.18662 38.99651 0.5488967      4.997766  7.781449       5.802660  -15.01242      57.03009 
1 1 1 -8  24  10 o 73.08563 35.39411 4.556448       4.673393  -1.854260      5.267480  12.66005       52.62650 
1 1 1 -8  24  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -24 1  o 136.8904 62.65433 7.984325       9.944373  8.506104       16.07000  0.4765167      92.78016 
1 1 1 -7  -24 2  o 103.3054 52.65244 -19.42717      13.46092  0.000000       0.000000  ?              ?        
1 1 1 -7  -23 1  o 131.6840 61.12041 -2.039940      10.17908  19.37216       15.20223  -43.21428      97.03172 
1 1 1 -7  -23 2  o 120.1506 56.13424 -5.750270      10.31473  10.72056       10.39525  -35.90627      87.85559 
1 1 1 -7  -23 3  o 110.1775 52.62891 3.077655       10.24290  -3.769823      9.947443  14.02759       82.91563 
1 1 1 -7  -22 1  o 132.6882 59.66100 2.360287       10.38587  6.281174       10.15995  -9.934921      92.15842 
1 1 1 -7  -22 2  o 104.1206 50.70228 0.6997163      10.62443  -10.84033      10.42482  21.39131       83.15704 
1 1 1 -7  -22 3  o 137.0111 63.84026 7.758134       13.15022  3.085259       13.34971  8.213913       96.45269 
1 1 1 -7  -22 4  o 120.9775 58.24580 -2.572079      12.34615  2.511911       13.57712  -9.992058      90.73883 
1 1 1 -7  -22 5  o 164.8073 76.50367 0.000000       0.000000  18.33315       13.25768  ?              ?        
1 1 1 -7  -21 1  o 132.1783 62.46962 -6.013372      13.43319  5.678071       13.53989  -22.03020      99.10345 
1 1 1 -7  -21 2  o 112.7932 54.43321 -11.98943      10.45535  7.233874       12.77267  -44.16596      91.38639 
1 1 1 -7  -21 3  o 149.8789 65.63081 1.780135       10.22335  18.29613       13.85873  -43.22955      102.9249 
1 1 1 -7  -21 4  o 119.9011 56.84359 -7.022136      10.05747  9.951454       13.25985  -42.31393      93.45455 
1 1 1 -7  -21 5  o 103.4069 50.60902 -14.01119      10.20934  4.936519       11.68251  -37.18871      84.67797 
1 1 1 -7  -21 6  o 178.2118 70.14527 16.16049       10.94085  12.10663       11.87672  15.27539       104.5202 
1 1 1 -7  -20 1  o 244.1002 102.7936 36.60817       18.74823  0.000000       0.000000  ?              ?        
1 1 1 -7  -20 2  o 141.7321 65.04150 6.654588       12.81491  -3.108418      13.19791  21.26988       103.0283 
1 1 1 -7  -20 3  o 137.5560 63.46029 -4.509422      12.04774  9.870165       13.25676  -34.90714      101.0953 
1 1 1 -7  -20 4  o 168.0995 76.66155 0.000000       0.000000  11.80631       12.51183  ?              ?        
1 1 1 -7  -20 5  o 172.7102 66.80718 10.61682       9.109913  11.42743       11.74026  -0.1213074     103.3880 
1 1 1 -7  -20 6  o 112.2318 53.09249 -10.24183      8.941988  12.17787       10.92081  -60.12927      89.53775 
1 1 1 -7  -20 7  o 149.7122 62.12523 8.205517       9.778304  7.399210       9.195962  2.853119       95.35843 
1 1 1 -7  -19 1  o 159.1556 64.38143 7.097903       9.551237  4.810872       10.18360  7.565323       102.7237 
1 1 1 -7  -19 2  o 134.1405 59.93915 3.775878       9.759575  -0.8870893     10.68822  10.62709       96.20340 
1 1 1 -7  -19 3  o 164.1675 74.23709 3.446902       15.41503  8.476519       17.03879  -12.76555      115.6201 
1 1 1 -7  -19 4  o 171.6204 71.56581 9.504571       8.952234  0.000000       0.000000  ?              ?        
1 1 1 -7  -19 5  o 176.4267 69.12849 11.56956       10.74160  10.35102       11.29849  4.790039       106.8786 
1 1 1 -7  -19 6  o 147.0889 62.58842 5.700116       9.178584  7.060827       11.09322  -6.828033      97.55022 
1 1 1 -7  -19 7  o 115.8952 50.83934 3.843081       7.098935  0.2068812      6.922478  15.02155       81.38029 
1 1 1 -7  -19 8  o 155.9662 59.15607 6.422535       7.007434  10.97385       9.176757  -19.79594      93.91133 
1 1 1 -7  -19 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -18 1  o 274.6347 60.58509 26.47485       9.744498  12.98151       10.37281  91.41496       109.4213 
1 1 1 -7  -18 2  o 115.8888 54.78665 -11.93210      8.983763  8.668423       12.75399  -77.92493      99.15340 
1 1 1 -7  -18 3  o 290.3559 55.53982 33.69703       9.400103  10.77322       9.897305  154.4758       100.3409 
1 1 1 -7  -18 4  o 163.1214 66.91785 7.318840       9.954825  6.671299       11.97060  -1.483200      105.8076 
1 1 1 -7  -18 5  o 127.4633 58.95246 -0.9194326     7.765041  0.000000       0.000000  ?              ?        
1 1 1 -7  -18 6  o 127.1549 58.74534 -0.5302705E-01 7.679642  0.000000       0.000000  ?              ?        
1 1 1 -7  -18 7  o 116.8245 55.68276 0.000000       0.000000  -2.944487      7.897906  ?              ?        
1 1 1 -7  -18 8  o 128.1882 59.44493 0.8595980      7.973755  0.000000       0.000000  ?              ?        
1 1 1 -7  -18 9  o 135.0652 50.11564 1.117771       5.574938  9.252234       5.600092  -51.14783      79.34804 
1 1 1 -7  -18 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -17 1  o 150.6077 61.65429 0.1078075      8.729432  7.501926       9.671014  -38.94582      101.1732 
1 1 1 -7  -17 2  o 372.9343 40.76500 42.35096       9.021016  22.58262       9.556323  132.9340       91.11621 
1 1 1 -7  -17 3  o 161.1260 61.50126 12.33662       8.113379  -1.850195      9.057941  67.36984       97.08752 
1 1 1 -7  -17 4  o 375.8956 44.29333 35.02601       8.926745  34.86435       12.00337  31.79388       101.2890 
1 1 1 -7  -17 5  o 122.0940 53.55178 0.9798994      6.354931  1.554231       10.95934  -25.61471      90.49822 
1 1 1 -7  -17 6  o 268.4737 42.49949 21.05426       6.718247  15.19178       6.973835  51.86501       87.95796 
1 1 1 -7  -17 7  o 188.7193 74.03754 0.000000       0.000000  12.54507       8.939263  ?              ?        
1 1 1 -7  -17 8  o 133.3830 58.95419 0.5686916      9.614785  5.562979       9.569882  -15.63980      93.39734 
1 1 1 -7  -17 9  o 239.6286 48.51211 16.89269       6.475352  14.60094       7.581737  29.02385       93.94504 
1 1 1 -7  -17 10 o 161.5992 56.87174 9.052516       7.127485  7.552678       7.026721  8.476227       91.00893 
1 1 1 -7  -17 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -16 1  f 421.4496 34.38646 38.59143       8.801480  42.43166       9.026210  -20.66580      71.05601 
1 1 1 -7  -16 2  o 192.5890 61.16320 6.132675       8.042263  12.59689       8.387126  -43.01961      101.7013 
1 1 1 -7  -16 3  o 195.1315 60.43034 5.521305       7.987896  14.11762       8.143049  -57.14134      100.0624 
1 1 1 -7  -16 4  o 539.5823 28.90864 69.89362       9.433413  62.83541       9.862510  32.81174       59.70975 
1 1 1 -7  -16 5  o 316.8755 40.29690 20.35770       7.172271  29.70792       8.473431  -59.81915      85.76569 
1 1 1 -7  -16 6  o 98.84394 45.57842 -0.3750930     6.338816  -3.813730      6.658527  10.31610       76.38119 
1 1 1 -7  -16 7  o 132.6017 53.59120 4.786329       6.893546  2.300263       6.747942  13.58012       86.59742 
1 1 1 -7  -16 8  o 168.3884 54.20948 7.208495       6.418090  8.879214       6.446096  -11.55618      89.58924 
1 1 1 -7  -16 9  o 155.0286 72.74096 4.409758       12.51836  0.000000       0.000000  ?              ?        
1 1 1 -7  -16 10 o 176.5652 79.67353 12.63552       13.08484  0.000000       0.000000  ?              ?        
1 1 1 -7  -16 11 o 154.5509 56.25902 5.594845       6.984473  9.184666       6.989297  -19.96506      89.53380 
1 1 1 -7  -16 12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -15 1  o 192.4560 60.02641 10.57159       8.119028  7.245555       7.774702  23.89508       100.9360 
1 1 1 -7  -15 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -15 3  o 578.7287 26.68295 77.53732       9.877336  73.01633       9.259254  16.34143       54.19040 
1 1 1 -7  -15 4  o 447.9071 30.76919 46.80326       8.528748  44.51531       8.465926  11.74664       63.25833 
1 1 1 -7  -15 5  o 603.2766 24.31066 81.56503       8.892029  82.42909       9.278333  -1.904053      49.45090 
1 1 1 -7  -15 6  o 166.5711 50.63718 7.812374       5.722384  6.321140       5.668735  12.07547       85.49681 
1 1 1 -7  -15 7  o 117.3369 48.23526 2.990118       5.748743  1.291966       5.535370  11.11870       78.71684 
1 1 1 -7  -15 8  o 112.2056 47.23701 -1.408339      5.591859  4.437026       5.600760  -31.80427      77.11277 
1 1 1 -7  -15 9  f 83.82433 39.75244 -5.229680      5.744010  -1.801562      5.375528  -8.710068      67.75730 
1 1 1 -7  -15 10 o 455.4812 27.29946 48.60973       7.897590  49.21110       7.475605  -7.150116      57.34154 
1 1 1 -7  -15 11 o 88.47851 43.47850 -11.82649      13.03796  -7.351723      6.552541  29.00137       78.23074 
1 1 1 -7  -15 12 o 117.6470 59.06956 -17.11192      13.38822  0.000000       0.000000  ?              ?        
1 1 1 -7  -14 1  o 688.2949 31.20559 0.000000       0.000000  106.4948       9.396737  ?              ?        
1 1 1 -7  -14 2  o 255.5150 51.92420 14.23269       8.104848  16.90207       7.801989  -21.36964      98.59493 
1 1 1 -7  -14 3  o 843.0368 22.67647 151.6065       12.02536  163.4993       11.67819  -33.02313      45.77954 
1 1 1 -7  -14 4  o 548.6213 24.03556 71.28426       8.477324  63.57796       7.875759  30.96539       48.63007 
1 1 1 -7  -14 5  o 214.7164 46.41593 7.910681       5.796014  14.95191       6.231188  -62.10007      85.10082 
1 1 1 -7  -14 6  o 446.4544 25.92001 45.80777       7.209402  44.32012       7.087260  7.293640       52.93590 
1 1 1 -7  -14 7  o 143.4778 50.11916 8.021172       5.496884  1.684309       5.481525  46.52182       81.30376 
1 1 1 -7  -14 8  o 203.5549 47.41501 8.562326       5.918353  12.84442       5.833124  -37.76141      86.06179 
1 1 1 -7  -14 9  o 187.1458 47.92575 13.08272       5.857657  5.974118       5.351446  60.63206       83.46243 
1 1 1 -7  -14 10 o 378.8842 28.11757 33.15439       6.594270  34.18873       6.528947  -7.108795      59.00713 
1 1 1 -7  -14 11 o 174.3924 51.47366 8.416304       6.001488  9.009227       5.901482  -4.735092      87.10939 
1 1 1 -7  -14 12 o 101.2962 45.60418 1.840327       6.189988  -1.855448      5.868602  17.44824       74.97155 
1 1 1 -7  -14 13 o 148.2766 59.64381 3.796524       12.75950  7.440573       6.714664  -4.841904      94.54104 
1 1 1 -7  -13 1  o 206.9044 49.46991 12.34327       6.314406  8.164860       6.213277  36.13245       88.75121 
1 1 1 -7  -13 2  o 216.2845 43.54535 12.85941       5.703824  9.298116       5.578139  33.16158       82.39203 
1 1 1 -7  -13 3  o 580.7968 23.26594 81.11433       8.595844  69.43243       8.152357  45.43054       46.96637 
1 1 1 -7  -13 4  o 515.6917 23.47435 63.34060       7.483649  54.85651       7.495600  37.98077       47.54982 
1 1 1 -7  -13 5  o 522.7744 23.90737 58.28421       7.547324  63.81985       7.931675  -23.56696      48.35423 
1 1 1 -7  -13 6  o 158.4061 50.43235 9.461782       5.684167  2.667105       5.478523  55.18875       82.92847 
1 1 1 -7  -13 7  o 532.4940 23.43327 60.97597       7.531020  66.62623       7.927107  -23.24774      47.56694 
1 1 1 -7  -13 8  o 143.6501 51.29140 5.087168       5.379001  4.330002       6.270921  0.6480408      84.32625 
1 1 1 -7  -13 9  o 168.1903 53.23093 8.780744       5.860101  5.901333       6.662127  19.63641       88.37551 
1 1 1 -7  -13 10 o 289.8561 38.57715 22.43054       6.242305  17.88800       7.443688  48.38275       84.06555 
1 1 1 -7  -13 11 o 171.8120 51.82954 7.435892       5.867872  9.045897       6.104756  -12.06735      87.34937 
1 1 1 -7  -13 12 o 114.0256 49.21376 6.232923       5.983165  -4.209631      6.788136  42.09978       78.93286 
1 1 1 -7  -13 13 o 104.3657 46.68454 0.5690708      5.851027  0.9487291E-01  6.621452  -2.791237      76.10016 
1 1 1 -7  -13 14 o 103.4420 45.89477 -1.063638      5.574800  2.939204       6.211925  -21.09619      74.96595 
1 1 1 -7  -12 1  o 411.6725 34.43867 38.15150       6.161767  0.000000       0.000000  ?              ?        
1 1 1 -7  -12 2  o 196.8747 42.34259 16.69215       5.336261  3.079329       4.749686  127.4850       71.92965 
1 1 1 -7  -12 3  o 322.8592 29.03405 21.66896       5.758533  25.22731       5.747062  -26.01709      59.95723 
1 1 1 -7  -12 4  o 610.8489 20.84443 82.45626       7.789666  82.95325       7.987753  -1.542114      41.98767 
1 1 1 -7  -12 5  o 392.6721 26.21324 32.89015       6.341153  35.97297       6.355921  -18.21625      53.33956 
1 1 1 -7  -12 6  o 602.5475 21.30368 79.17307       7.967337  82.01249       7.933180  -10.90283      42.95490 
1 1 1 -7  -12 7  o 146.8461 50.02333 -0.8916085     5.298358  11.35498       5.627935  -95.46443      78.24490 
1 1 1 -7  -12 8  o 140.9823 50.68726 1.758096       5.567048  7.116947       5.734979  -39.13252      82.72557 
1 1 1 -7  -12 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -12 10 f 143.1671 52.26614 5.338907       5.519721  4.448109       6.732517  0.6983032      85.33875 
1 1 1 -7  -12 11 o 199.4940 49.98707 10.46127       5.649983  10.80402       6.873683  0.7397614      89.90037 
1 1 1 -7  -12 12 f 166.3033 53.14892 9.588353       5.891190  5.555105       6.541764  28.21989       87.31281 
1 1 1 -7  -12 13 o 123.9277 48.56292 7.977582       5.351068  -1.099971      5.520391  54.28852       77.01496 
1 1 1 -7  -12 14 o 108.3197 45.73438 -2.274079      4.893032  7.719379       5.751623  -59.65997      75.09612 
1 1 1 -7  -12 15 o 97.28488 43.17138 2.992131       5.221572  -2.021180      5.167617  23.78179       70.53636 
1 1 1 -7  -11 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -11 2  o 600.4479 19.05979 80.54371       7.269838  78.76436       6.923273  6.388245       38.32937 
1 1 1 -7  -11 3  o 184.5290 41.96124 8.550604       4.649743  7.406893       4.740007  11.45001       76.79952 
1 1 1 -7  -11 4  o 576.9036 19.17415 71.26972       6.659513  76.27681       7.062704  -19.30731      38.58515 
1 1 1 -7  -11 5  o 205.4737 39.63390 5.410479       4.813139  14.53093       4.926149  -89.14821      72.94982 
1 1 1 -7  -11 6  o 283.0438 33.04517 14.62707       5.590733  21.99444       5.801018  -60.81583      69.11665 
1 1 1 -7  -11 7  o 557.5179 21.71325 65.03242       7.311164  73.49844       7.693335  -34.17517      43.80478 
1 1 1 -7  -11 8  o 142.3280 55.46908 2.733042       10.84183  3.771452       5.621183  28.29231       96.27509 
1 1 1 -7  -11 9  o 346.3770 40.21681 28.33785       5.996779  0.000000       0.000000  ?              ?        
1 1 1 -7  -11 10 o 221.6333 41.79715 10.61585       5.254299  13.77689       5.867895  -27.10959      81.71890 
1 1 1 -7  -11 11 o 96.43440 42.05202 -0.3868811     4.473921  0.8387794      5.043922  -12.15968      69.95717 
1 1 1 -7  -11 12 o 277.2444 31.26937 14.58233       5.112853  22.44934       5.473606  -65.30885      67.06207 
1 1 1 -7  -11 13 o 91.02139 40.80683 2.425968       4.724990  -3.419674      4.808857  28.19284       67.82133 
1 1 1 -7  -11 14 o 109.5656 44.83357 1.141970       4.728003  3.304311       4.967393  -14.59814      72.71512 
1 1 1 -7  -11 15 o 93.70328 41.56152 3.029396       4.646092  -2.998725      4.988813  26.90562       67.98744 
1 1 1 -7  -11 16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -10 1  o 323.4713 24.31900 24.11720       4.915686  22.62542       4.775403  10.40009       49.52605 
1 1 1 -7  -10 2  o 352.5726 22.81040 26.42356       4.832955  28.92848       5.102060  -15.93646      46.20528 
1 1 1 -7  -10 3  o 464.2995 20.23212 46.95699       5.800632  48.39018       5.825763  -7.061188      40.74134 
1 1 1 -7  -10 4  o 295.3293 27.11996 18.32266       4.818363  20.82904       5.013275  -19.41055      55.66400 
1 1 1 -7  -10 5  o 295.6210 28.85672 19.79203       5.175070  19.53520       5.275255  2.365662       59.51030 
1 1 1 -7  -10 6  o 219.0774 38.85775 11.93722       4.979878  10.29831       5.202082  16.54152       76.37771 
1 1 1 -7  -10 7  o 94.23547 42.62528 -1.417032      5.196445  -2.308199      5.483001  0.9472885      72.70889 
1 1 1 -7  -10 8  o 357.7982 39.32628 0.000000       0.000000  29.47101       6.070322  ?              ?        
1 1 1 -7  -10 9  o 322.0825 27.98687 28.88781       5.521793  18.04112       5.550651  80.34995       60.05255 
1 1 1 -7  -10 10 o 344.5536 25.91053 25.28326       5.449168  28.62214       5.546902  -22.35181      53.33761 
1 1 1 -7  -10 11 o 218.1258 37.32649 12.59170       4.836681  10.31826       4.902214  23.26819       74.75906 
1 1 1 -7  -10 12 o 77.30917 36.44356 -5.027115      4.567650  -0.7077776     4.504685  -17.65778      62.78960 
1 1 1 -7  -10 13 f 126.2968 44.89525 4.329672       4.276870  3.348951       4.576218  6.283188       73.43174 
1 1 1 -7  -10 14 o 147.9041 45.60054 5.805839       4.462814  6.089169       4.746253  -2.559250      76.56242 
1 1 1 -7  -10 15 o 243.1977 34.83694 14.48095       4.979239  15.08608       5.242125  -2.774948      74.19193 
1 1 1 -7  -10 16 o 92.26087 40.98891 0.5043117      4.647290  -0.1505667     4.746153  2.453812       67.16462 
1 1 1 -7  -9  1  o 126.1802 48.47993 2.830570       5.556339  2.693049       5.136564  4.448502       79.87720 
1 1 1 -7  -9  2  o 270.1312 28.52051 14.84552       4.641703  18.14433       4.775256  -28.44183      59.11032 
1 1 1 -7  -9  3  o 935.4492 18.45247 177.7459       9.992543  213.5474       11.60194  -85.40173      37.12268 
1 1 1 -7  -9  4  o 362.4937 21.13138 26.12712       4.483540  32.86498       5.024667  -41.82849      42.69205 
1 1 1 -7  -9  5  o 116.0879 43.35903 2.802142       3.974438  1.837729       4.458601  2.914665       71.66962 
1 1 1 -7  -9  6  o 275.5121 26.46280 16.94344       4.250380  17.14960       4.720750  -0.3206177     54.75570 
1 1 1 -7  -9  7  o 382.1691 22.28424 41.54447       5.432617  24.45606       5.102764  102.8663       46.25508 
1 1 1 -7  -9  8  o 176.3201 46.11752 6.841089       5.600626  7.743423       4.714459  -5.694504      81.40527 
1 1 1 -7  -9  9  o 104.6443 42.99408 3.237719       4.476180  -1.182901      4.477800  29.99646       70.97683 
1 1 1 -7  -9  10 o 96.30410 41.34745 2.298032       4.704454  -1.608584      4.208459  29.94579       69.46932 
1 1 1 -7  -9  11 o 283.9109 27.50787 18.68304       4.718440  18.19237       4.852252  4.854431       57.33828 
1 1 1 -7  -9  12 o 135.7795 44.39328 4.011089       4.166626  5.115022       4.455955  -10.97101      73.94028 
1 1 1 -7  -9  13 o 162.5667 43.55166 7.526319       4.361840  5.969827       4.608513  15.00925       76.01090 
1 1 1 -7  -9  14 o 161.6451 44.16342 5.803647       4.377733  8.235826       4.751424  -22.39412      76.75041 
1 1 1 -7  -9  15 o 132.5454 46.56257 6.145105       4.757431  3.206607       4.726793  22.22314       75.63929 
1 1 1 -7  -9  16 o 191.4430 41.21742 7.245023       4.566379  12.88135       4.957437  -52.18088      76.69576 
1 1 1 -7  -9  17 o 98.15089 42.20287 -0.7453165E-01 4.331520  2.934436       5.010625  -20.81432      68.96844 
1 1 1 -7  -8  1  o 326.9114 20.53240 21.87667       4.091783  25.96001       4.195640  -28.68478      41.79752 
1 1 1 -7  -8  2  o 407.5485 26.01432 30.94222       6.308825  44.68739       6.803922  -76.83820      53.43551 
1 1 1 -7  -8  3  o 561.1292 22.21839 67.42217       7.546205  72.56969       7.903138  -20.46936      44.80240 
1 1 1 -7  -8  4  o 178.4747 30.64040 7.301140       3.106218  7.261214       3.463004  0.8813477      60.64736 
1 1 1 -7  -8  5  o 235.0749 23.43305 14.49682       3.431242  10.32682       3.314924  41.42342       48.64749 
1 1 1 -7  -8  6  o 260.4504 22.97814 17.06044       3.637777  13.11671       3.712106  35.79703       47.70472 
1 1 1 -7  -8  7  o 242.5475 25.48265 12.19372       3.729694  14.29235       3.825847  -20.11691      52.64298 
1 1 1 -7  -8  8  f 470.3272 18.54496 46.53064       5.366429  51.37357       5.434120  -23.55115      37.35348 
1 1 1 -7  -8  9  o 417.3772 20.77077 41.79382       5.319049  35.41671       5.403581  35.44409       42.16662 
1 1 1 -7  -8  10 o 301.6463 23.95288 21.61382       4.313797  19.04845       4.589451  20.87485       49.49172 
1 1 1 -7  -8  11 o 643.7059 18.28880 92.26316       7.218158  91.98052       7.375155  1.394531       36.88267 
1 1 1 -7  -8  12 o 340.5865 23.56618 20.37783       4.677479  33.74014       5.272105  -88.59543      48.96554 
1 1 1 -7  -8  13 o 107.7137 42.59383 4.179557       4.070302  -0.3992022     4.373067  30.01114       68.94007 
1 1 1 -7  -8  14 o 236.5345 31.79012 12.00560       4.427726  14.91639       4.675351  -27.07971      66.96806 
1 1 1 -7  -8  15 o 103.0448 42.19501 2.741427       4.247230  0.6939066      4.341820  12.59084       68.59339 
1 1 1 -7  -8  16 o 105.0883 42.68341 6.756635       4.317725  -2.847295      4.384421  62.78036       67.81758 
1 1 1 -7  -8  17 o 158.3114 46.26226 6.942653       4.773268  7.416146       4.883373  -3.755844      78.56276 
1 1 1 -7  -7  1  f 209.9312 38.65080 12.18373       5.001409  8.846393       4.707669  32.97925       75.17635 
1 1 1 -7  -7  2  o 84.41576 38.89608 -5.781462      5.059618  0.5086911      4.433807  -21.87811      66.43703 
1 1 1 -7  -7  3  o 367.2629 18.87816 31.95326       4.331817  28.05342       4.242394  24.30103       38.19040 
1 1 1 -7  -7  4  o 232.7888 32.10040 13.73505       4.424830  10.83698       4.604863  29.51573       66.16741 
1 1 1 -7  -7  5  o 448.9421 16.55694 42.30655       4.649784  46.51662       4.557622  -21.62109      33.34879 
1 1 1 -7  -7  6  o 455.3929 15.99921 45.21731       4.419676  46.26896       4.611620  -5.086090      32.15099 
1 1 1 -7  -7  7  o 231.1342 23.71063 11.27718       3.289671  12.69421       3.416792  -14.05757      48.79252 
1 1 1 -7  -7  8  o 122.2841 38.03498 3.092667       3.209601  3.656781       3.172276  -5.887138      64.15987 
1 1 1 -7  -7  9  o 1305.600 22.31496 374.9374       18.01513  380.1500       18.13079  -8.981689      44.85134 
1 1 1 -7  -7  10 f 248.3084 25.78093 13.95743       3.853681  13.79637       3.975834  1.963531       53.26968 
1 1 1 -7  -7  11 o 511.3487 17.32818 58.79494       5.494168  57.14878       5.482970  7.374451       34.90365 
1 1 1 -7  -7  12 o 159.4710 38.77147 4.020193       3.774879  8.354987       3.820887  -47.25981      68.23219 
1 1 1 -7  -7  13 o 190.6230 34.08438 8.528365       3.877194  8.877850       3.887699  -3.911743      67.42834 
1 1 1 -7  -7  14 o 98.23821 40.07418 0.6472921      3.783553  2.105689       3.930326  -11.80813      65.77359 
1 1 1 -7  -7  15 o 244.3417 30.31131 15.04184       4.350753  13.40162       4.656465  19.20416       64.92937 
1 1 1 -7  -7  16 o 218.5301 35.58405 11.94497       4.574991  12.13062       4.745510  -0.1177826     73.50989 
1 1 1 -7  -7  17 o 81.44232 37.30466 1.817490       4.266892  -3.700881      4.234106  26.86611       62.52134 
1 1 1 -7  -7  18 o 130.2010 45.85903 5.942228       4.627768  3.683710       4.576597  16.87498       74.15677 
1 1 1 -7  -6  1  o 330.4148 17.46611 22.56752       3.483672  26.02555       3.657026  -23.74518      35.28279 
1 1 1 -7  -6  2  o 463.5329 15.95035 53.09745       4.747977  42.76768       4.427802  50.43317       32.13207 
1 1 1 -7  -6  3  o 263.7296 33.55937 14.40236       5.132261  18.04404       5.634970  -30.19188      69.84143 
1 1 1 -7  -6  4  o 420.8083 24.53155 39.28622       6.201553  39.94315       6.565726  -2.654938      49.87249 
1 1 1 -7  -6  5  o 303.6719 26.30684 21.06214       4.943727  20.21722       4.870477  6.328369       53.85791 
1 1 1 -7  -6  6  o 279.1132 28.91666 20.06995       4.951862  14.93065       4.916684  43.42651       60.26030 
1 1 1 -7  -6  7  o 138.1652 36.15257 4.082296       3.078344  4.808862       3.192187  -9.259827      63.55835 
1 1 1 -7  -6  8  o 363.0073 17.72348 30.46325       4.011415  27.87979       3.947216  16.27356       35.73652 
1 1 1 -7  -6  9  o 551.4177 16.06406 69.71938       5.573224  64.65443       5.408383  20.82385       32.26816 
1 1 1 -7  -6  10 o 695.9282 19.76654 109.2350       7.481539  103.3272       10.17611  23.68463       42.12572 
1 1 1 -7  -6  11 o 551.8162 24.04251 0.000000       0.000000  67.98209       5.805398  ?              ?        
1 1 1 -7  -6  12 o 691.9124 16.92981 111.3869       7.486171  101.4327       7.064921  32.08557       34.11847 
1 1 1 -7  -6  13 o 296.6407 21.60694 20.08427       3.994838  19.61376       3.904089  3.312592       44.23721 
1 1 1 -7  -6  14 o 152.0943 38.12178 4.900224       3.570090  6.682412       3.608778  -19.83069      67.81438 
1 1 1 -7  -6  15 o 103.5033 39.69278 2.361560       3.639254  1.878875       3.506662  5.055611       64.93343 
1 1 1 -7  -6  16 o 221.2000 31.31510 10.11964       4.140479  13.74356       4.214293  -37.80293      65.83039 
1 1 1 -7  -6  17 o 159.0239 41.14077 8.155994       4.058197  5.365808       4.120258  28.22057       72.18210 
1 1 1 -7  -6  18 o 116.8982 42.95323 1.635024       3.877606  5.970352       4.334937  -35.01080      69.55166 
1 1 1 -7  -6  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -5  1  o 178.0425 24.87369 7.717423       2.607000  6.587252       2.742688  15.13509       51.01942 
1 1 1 -7  -5  2  o 224.9445 21.20783 9.968357       2.834750  12.89212       3.023060  -29.85423      43.69284 
1 1 1 -7  -5  3  o 349.6068 16.42164 27.14408       3.538809  27.07023       3.564087  0.5434265      33.13333 
1 1 1 -7  -5  4  o 620.7517 21.29610 84.95665       8.074157  86.82402       8.307303  -6.356628      43.01512 
1 1 1 -7  -5  5  o 518.4321 21.03862 53.38706       6.353390  67.81443       7.236085  -61.99567      42.43560 
1 1 1 -7  -5  6  o 405.9843 22.46481 37.65102       5.675863  35.51948       5.595970  11.98172       45.40078 
1 1 1 -7  -5  7  o 242.5537 31.29152 15.15956       4.593839  11.44471       4.603314  35.92929       64.69853 
1 1 1 -7  -5  8  o 142.5511 36.27792 2.816673       3.184970  6.727409       3.246888  -46.32504      62.66893 
1 1 1 -7  -5  9  o 609.8626 15.83670 75.88733       5.842085  88.90881       6.141358  -48.45966      31.81400 
1 1 1 -7  -5  10 o 199.3560 44.15528 9.392169       3.759279  0.000000       0.000000  ?              ?        
1 1 1 -7  -5  11 o 368.1473 20.75876 28.30455       4.537863  32.26685       4.929308  -23.98462      41.99805 
1 1 1 -7  -5  12 o 295.3915 29.71132 19.86559       3.797415  0.000000       0.000000  ?              ?        
1 1 1 -7  -5  13 o 319.4240 20.63787 22.92555       4.011558  22.84877       4.125663  0.9827576      42.05462 
1 1 1 -7  -5  14 o 82.96763 35.95906 3.080821       3.442637  -2.995496      3.392469  42.60442       59.80807 
1 1 1 -7  -5  15 o 342.0148 20.49757 26.39044       4.235053  26.72379       4.429036  -1.173828      42.01441 
1 1 1 -7  -5  16 o 168.1282 35.57594 8.535292       3.492293  5.468485       3.706052  35.95183       66.30877 
1 1 1 -7  -5  17 o 226.4512 28.50126 12.77440       3.916940  12.00211       3.913378  8.215195       60.95406 
1 1 1 -7  -5  18 o 133.9370 40.09829 5.885344       3.557228  3.836922       3.625789  20.33829       67.43587 
1 1 1 -7  -5  19 o 89.54113 38.27612 1.926197       3.676279  -0.4958228E-01 3.873075  10.56163       62.10355 
1 1 1 -7  -4  1  o 98.91542 33.89695 1.210331       2.476794  2.866047       2.535971  -19.80354      56.09873 
1 1 1 -7  -4  2  o 104.9976 34.67197 2.370463       2.625239  2.411901       2.620415  -0.4328384     57.92609 
1 1 1 -7  -4  3  o 146.9185 31.61730 6.620223       2.737159  3.351345       2.858892  42.30123       57.56200 
1 1 1 -7  -4  4  o 373.7954 15.54263 29.75952       3.494140  32.29737       3.707438  -15.14438      31.32318 
1 1 1 -7  -4  5  o 379.0871 22.91507 38.78947       5.462949  25.94527       5.269186  78.26465       47.36039 
1 1 1 -7  -4  6  o 491.9858 20.97007 57.59835       6.314513  49.54989       6.458221  37.95435       42.49998 
1 1 1 -7  -4  7  o 390.8793 16.34993 35.33684       3.868413  31.92914       4.049009  20.25879       33.03944 
1 1 1 -7  -4  8  o 409.8414 22.56208 33.30459       5.419326  42.20464       6.062396  -48.80133      45.58479 
1 1 1 -7  -4  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  -4  10 o 671.0676 22.15288 99.96001       6.511817  0.000000       0.000000  ?              ?        
1 1 1 -7  -4  11 o 131.6420 39.84109 4.112409       3.468143  3.817151       3.597634  2.256027       67.61364 
1 1 1 -7  -4  12 o 283.8277 22.28441 14.30929       3.722534  22.50478       4.087040  -66.09390      46.11160 
1 1 1 -7  -4  13 o 352.3259 19.31384 27.55160       4.081759  27.86677       4.340106  -1.296875      39.21040 
1 1 1 -7  -4  14 o 223.5557 26.75016 11.54462       3.556902  11.47810       3.720745  1.715546       55.96270 
1 1 1 -7  -4  15 o 277.3073 22.72720 17.67836       3.838181  17.53729       3.913416  1.709656       47.11422 
1 1 1 -7  -4  16 o 119.4551 39.64914 5.582284       3.376968  1.296198       3.482719  40.70198       64.32243 
1 1 1 -7  -4  17 o 80.52326 37.56062 -1.902289      3.257098  0.000000       0.000000  ?              ?        
1 1 1 -7  -4  18 o 186.5772 34.70793 9.555210       3.780890  8.114708       3.964029  17.86499       68.65850 
1 1 1 -7  -4  19 o 145.1487 39.41848 5.494695       3.564997  6.127904       3.720134  -6.058395      68.65943 
1 1 1 -7  -3  1  o 216.4823 19.39072 10.38046       2.572542  10.46321       2.580275  -0.8747253     39.59518 
1 1 1 -7  -3  2  o 225.0154 19.28505 12.53868       2.688678  10.04276       2.643706  25.82233       39.59503 
1 1 1 -7  -3  3  o 615.5274 13.94109 81.50404       5.230374  85.71094       5.420828  -15.38501      28.00895 
1 1 1 -7  -3  4  o 153.7918 29.95015 3.736660       2.713635  7.397141       2.797190  -48.35844      56.10260 
1 1 1 -7  -3  5  o 209.5213 24.02250 12.75997       3.024264  6.954357       3.109129  66.09709       51.53520 
1 1 1 -7  -3  6  o 246.3617 29.51537 14.47635       4.336967  13.04585       4.510026  14.42598       61.40948 
1 1 1 -7  -3  7  o 146.3460 43.19003 2.953605       4.129157  7.053876       4.253311  -40.81488      72.60928 
1 1 1 -7  -3  8  o 934.4744 17.37711 200.9185       10.18736  184.3545       9.962514  40.32318       34.89005 
1 1 1 -7  -3  9  o 497.1450 30.91119 0.000000       0.000000  55.36926       6.707275  ?              ?        
1 1 1 -7  -3  10 o 569.6722 22.41516 84.52299       8.153673  61.08027       7.678871  93.70087       45.49100 
1 1 1 -7  -3  11 o 556.1853 16.23972 66.28687       5.414211  70.57780       5.799467  -17.15863      32.64546 
1 1 1 -7  -3  12 o 47.66212 24.16014 -9.491358      3.489331  -8.726026      3.790898  -6.347527      45.52898 
1 1 1 -7  -3  13 o 417.4016 17.38072 37.43870       4.403709  40.02369       4.582463  -13.83737      35.06216 
1 1 1 -7  -3  14 o 272.5813 22.53981 15.26958       3.616752  18.63077       3.961020  -27.32239      46.36967 
1 1 1 -7  -3  15 o 83.06854 35.82298 0.5873840      3.311843  -0.3592842     3.405888  5.340317       59.58503 
1 1 1 -7  -3  16 o 112.7344 39.84571 2.095608       3.367033  3.955029       3.597511  -18.44340      65.46568 
1 1 1 -7  -3  17 o 81.06510 35.44041 -2.363970      3.248833  2.957758       3.529839  -38.40653      59.21207 
1 1 1 -7  -3  18 o 215.8955 30.07228 10.84529       3.797521  12.18767       4.051294  -11.65210      63.95251 
1 1 1 -7  -3  19 o 136.1634 39.82987 4.878106       3.489298  5.440255       3.671085  -5.338867      67.77374 
1 1 1 -7  -3  20 o 69.76573 32.64746 1.404292       3.497963  -4.399200      3.554964  27.21816       55.36650 
1 1 1 -7  -2  1  o 720.9197 13.95102 114.2010       6.255762  114.4230       6.222204  -0.7292480     27.97998 
1 1 1 -7  -2  2  o 262.4148 16.86319 15.03220       2.751253  15.44650       2.710178  -3.725464      34.10810 
1 1 1 -7  -2  3  o 395.8061 14.37608 35.01836       3.592328  34.16748       3.459143  4.737244       28.90443 
1 1 1 -7  -2  4  o 172.8005 26.66745 7.383039       2.793153  6.321439       2.740881  13.78726       53.85883 
1 1 1 -7  -2  5  o 459.1378 14.43644 46.22079       4.090636  47.03332       4.122697  -3.998871      29.03392 
1 1 1 -7  -2  6  o 275.7643 18.90473 16.81299       3.146624  17.07734       3.286591  -1.835480      38.41728 
1 1 1 -7  -2  7  o 155.7121 42.03402 8.681718       4.073400  2.471297       4.239621  61.32909       70.36825 
1 1 1 -7  -2  8  o 748.9407 21.92269 125.5892       10.16012  122.5949       10.18785  9.207458       44.09434 
1 1 1 -7  -2  9  o 954.6455 20.79397 200.8179       15.17628  201.6774       10.63107  -8.083496      44.64248 
1 1 1 -7  -2  10 o 158.2715 43.93353 2.156609       4.292700  10.31929       4.661422  -79.81331      72.40343 
1 1 1 -7  -2  11 o 1017.729 26.01911 228.6514       16.30542  233.1729       16.52248  -9.780457      52.51712 
1 1 1 -7  -2  12 o 408.5883 17.57784 32.79011       4.209460  42.17556       4.724572  -51.66791      35.40823 
1 1 1 -7  -2  13 o 467.9123 16.52347 50.25557       4.728924  46.65087       4.850392  17.95090       33.34004 
1 1 1 -7  -2  14 o 433.5750 17.00298 41.24905       4.420172  42.45917       4.723243  -5.597565      34.37286 
1 1 1 -7  -2  15 o 296.3521 21.22144 19.15025       3.721449  20.70712       4.050151  -10.66193      43.55177 
1 1 1 -7  -2  16 o 266.8049 22.97108 17.87464       3.742790  14.87691       3.787283  27.18011       48.24123 
1 1 1 -7  -2  17 o 81.01945 35.27549 -1.372649      3.239188  1.761292       3.406822  -22.84837      58.66129 
1 1 1 -7  -2  18 o 95.51204 38.43707 2.819405       3.360677  0.3631494      3.639377  15.91117       62.17204 
1 1 1 -7  -2  19 o 80.64051 37.80271 -1.846609      3.367728  0.000000       0.000000  ?              ?        
1 1 1 -7  -2  20 o 137.7059 40.53205 4.872504       3.522656  6.028593       3.893350  -10.30643      68.84157 
1 1 1 -7  -1  1  o 447.1952 12.90651 45.42331       3.650454  42.68513       3.507015  13.88342       25.88317 
1 1 1 -7  -1  2  o 395.4909 13.76810 35.88321       3.431746  33.12307       3.316397  15.85739       27.64219 
1 1 1 -7  -1  3  o 322.7818 15.35842 25.94156       3.166030  20.44383       2.975562  38.78302       30.98910 
1 1 1 -7  -1  4  o 355.3503 15.21043 27.63431       3.345489  28.23187       3.344705  -3.866760      30.63201 
1 1 1 -7  -1  5  o 273.1121 17.90405 19.70040       3.097584  13.83005       2.941517  49.39778       36.70721 
1 1 1 -7  -1  6  o 392.2197 15.08383 33.71841       3.627528  34.39813       3.699708  -3.836456      30.37101 
1 1 1 -7  -1  7  o 393.5748 15.42339 32.89523       3.693877  35.64235       3.826040  -15.81006      31.02488 
1 1 1 -7  -1  8  o 546.7885 20.28424 63.25385       6.782820  69.17645       6.956823  -24.62238      40.83043 
1 1 1 -7  -1  9  o 861.3904 23.47514 163.4697       12.47161  165.3424       12.59322  -4.817200      47.23970 
1 1 1 -7  -1  10 o 254.6602 22.61732 17.14987       3.466356  11.59175       3.609496  52.07806       47.98027 
1 1 1 -7  -1  11 o 330.4454 25.82205 25.35184       5.205173  23.57629       5.298175  12.84930       52.87508 
1 1 1 -7  -1  12 o 291.5667 29.99819 19.87288       5.366388  18.56174       5.330375  10.53000       62.09996 
1 1 1 -7  -1  13 o 414.8067 17.55240 40.94408       4.497546  35.32925       4.515015  31.21030       35.50337 
1 1 1 -7  -1  14 o 267.1727 32.32536 0.000000       0.000000  16.52149       3.711296  ?              ?        
1 1 1 -7  -1  15 o 228.7403 24.12691 13.53511       3.299141  10.24649       3.449723  35.34499       51.24533 
1 1 1 -7  -1  16 o 378.4088 18.11561 32.98415       4.134316  31.47824       4.354255  10.36511       36.99153 
1 1 1 -7  -1  17 o 109.0592 38.83164 3.824335       3.174669  1.538286       3.457790  19.04214       63.24873 
1 1 1 -7  -1  18 o 185.4656 30.67335 10.08931       3.324086  6.724154       3.493561  41.70058       62.01493 
1 1 1 -7  -1  19 o 158.0433 36.03291 7.874316       3.375844  5.185349       3.537586  31.53362       65.78920 
1 1 1 -7  -1  20 o 235.7644 26.78123 12.88770       3.692549  14.57258       4.023568  -12.44302      58.35337 
1 1 1 -7  -1  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  0   1  o 177.0475 21.22716 6.235881       2.236975  7.865075       2.335989  -21.30882      43.69188 
1 1 1 -7  0   2  o 692.2743 13.82203 108.6998       6.067444  102.4498       5.812033  20.41541       27.72982 
1 1 1 -7  0   3  o 529.4755 13.30229 58.46449       4.292437  65.28014       4.442650  -29.27142      26.69135 
1 1 1 -7  0   4  o 305.3410 16.26873 19.88226       3.106440  21.39796       3.035443  -11.60104      32.90463 
1 1 1 -7  0   5  o 610.1553 14.10986 84.19161       5.458515  80.41130       5.229762  13.79559       28.37901 
1 1 1 -7  0   6  o 613.2862 14.13324 81.62320       5.352609  84.57841       5.401256  -10.95630      28.42475 
1 1 1 -7  0   7  o 292.3804 17.70904 18.31399       3.130358  19.70336       3.267709  -10.66473      35.83221 
1 1 1 -7  0   8  o 172.2725 27.95562 7.387639       2.974243  6.218261       2.803596  14.83966       55.76785 
1 1 1 -7  0   9  o 375.4890 22.20441 29.81970       5.224853  32.68245       5.076055  -17.90686      45.05263 
1 1 1 -7  0   10 o 722.0673 21.96718 120.4211       10.11152  111.2049       9.566974  28.42920       44.22931 
1 1 1 -7  0   11 o 253.4843 30.19636 10.35765       4.423613  19.85956       4.926686  -85.77177      63.11082 
1 1 1 -7  0   12 o 302.7483 28.67343 24.67318       5.404295  16.89114       5.240915  60.24545       60.12002 
1 1 1 -7  0   13 o 283.0604 23.92937 13.62190       4.049572  22.84469       4.285196  -75.80875      50.45779 
1 1 1 -7  0   14 o 458.2733 16.60048 48.45519       4.665764  44.68632       4.758254  19.14307       33.52615 
1 1 1 -7  0   15 o 145.1343 36.17085 3.657030       3.177101  6.717102       3.316774  -36.18353      63.74734 
1 1 1 -7  0   16 o 210.6625 26.86707 10.26072       3.393241  10.47941       3.470376  -1.884094      56.33752 
1 1 1 -7  0   17 o 139.4108 38.20787 3.929135       3.246291  6.288658       3.582013  -25.92684      66.25033 
1 1 1 -7  0   18 o 111.8411 38.08615 1.914618       3.013088  4.659760       3.336649  -28.35318      62.63741 
1 1 1 -7  0   19 o 92.17219 37.20803 1.894158       3.171783  1.312078       3.406943  2.576431       60.27306 
1 1 1 -7  0   20 f 84.41623 35.87719 1.450197       3.179288  0.3903170      3.389527  5.309860       58.19180 
1 1 1 -7  0   21 o 182.8707 32.74716 12.82096       3.590220  4.917591       3.566625  87.96883       61.94532 
1 1 1 -7  1   1  o 122.7670 29.35447 4.337898       2.236713  2.666904       2.174980  24.69090       52.41250 
1 1 1 -7  1   2  o 94.23945 31.87957 2.017836       2.228707  1.685159       2.202375  4.456718       53.11217 
1 1 1 -7  1   3  o 551.5178 13.20230 65.59229       4.489050  68.35941       4.544955  -11.41998      26.50900 
1 1 1 -7  1   4  o 163.7965 26.17247 5.489812       2.607880  6.748246       2.533384  -17.42323      52.48679 
1 1 1 -7  1   5  o 435.7784 14.30562 43.98874       3.956158  40.17797       3.774050  19.70483       28.77195 
1 1 1 -7  1   6  o 430.0047 14.60461 36.32256       3.785532  46.07064       4.003609  -51.51987      29.45359 
1 1 1 -7  1   7  o 100.8587 35.86642 4.530786       2.796305  -0.5289891     2.845433  51.66399       57.05756 
1 1 1 -7  1   8  o 201.0159 24.53860 7.589383       2.951622  10.70959       3.043433  -36.17200      50.84032 
1 1 1 -7  1   9  o 318.0001 24.83013 21.21104       4.839426  23.91414       4.879297  -19.73743      50.68665 
1 1 1 -7  1   10 o 243.5880 30.65101 10.61370       4.442545  16.51913       4.621011  -56.27098      63.63527 
1 1 1 -7  1   11 o 365.5319 17.73987 39.31690       4.103082  20.71393       3.923825  117.6414       37.36832 
1 1 1 -7  1   12 o 330.5004 26.62537 27.65728       5.549420  21.69316       5.285191  41.43747       54.73643 
1 1 1 -7  1   13 o 77.00011 37.05666 -2.368865      5.189282  -8.146809      5.242417  20.60378       65.81871 
1 1 1 -7  1   14 o 306.3030 20.01560 20.32784       3.732692  21.64395       3.833842  -9.661255      40.68956 
1 1 1 -7  1   15 o 482.9858 16.08445 55.11187       4.830289  48.72017       4.794464  30.36392       32.50340 
1 1 1 -7  1   16 o 163.2476 33.85421 7.184702       3.306955  5.786529       3.324518  17.00670       63.97995 
1 1 1 -7  1   17 o 148.1012 40.70200 5.699229       3.305633  5.886750       4.816118  -1.205536      71.89822 
1 1 1 -7  1   18 o 189.2747 30.30663 7.206199       3.308753  10.64264       3.584406  -38.27107      61.80945 
1 1 1 -7  1   19 o 69.52596 32.03959 0.3477204      3.237892  -2.302846      3.165933  15.30651       53.97178 
1 1 1 -7  1   20 o 185.9403 31.55123 9.778279       3.543766  7.979546       3.475729  20.51814       64.44752 
1 1 1 -7  1   21 o 106.4071 38.86269 3.445931       3.241447  2.739342       3.443705  5.341461       62.57803 
1 1 1 -7  2   1  o 800.6426 14.56805 147.3056       7.460137  135.4891       7.029631  33.35822       29.22253 
1 1 1 -7  2   2  o 593.4371 13.06889 75.82168       4.807620  79.12810       4.814264  -12.73535      26.22841 
1 1 1 -7  2   3  o 190.2068 21.63236 7.789647       2.531335  8.434057       2.483527  -8.162003      44.66771 
1 1 1 -7  2   4  o 359.5717 14.71548 30.72685       3.402067  26.72736       3.161813  25.07526       29.61598 
1 1 1 -7  2   5  o 109.0736 33.80973 4.820831       2.555449  0.7272179      2.493020  50.11842       54.85288 
1 1 1 -7  2   6  o 419.2481 14.52641 42.36713       3.891132  35.84385       3.663456  35.19272       29.24599 
1 1 1 -7  2   7  o 370.1427 15.13607 30.59546       3.422771  30.02890       3.515112  3.699188       30.50084 
1 1 1 -7  2   8  o 329.2512 16.58626 22.07310       3.361570  25.92399       3.392015  -26.88727      33.53296 
1 1 1 -7  2   9  o 83.64306 37.54042 -2.851227      4.273273  0.9651259E-01  3.851703  -11.10089      63.82335 
1 1 1 -7  2   10 o 219.6937 34.06615 12.19495       4.500854  9.943210       4.483848  23.19165       68.73870 
1 1 1 -7  2   11 f 263.2229 30.41568 15.73380       3.447215  0.000000       0.000000  ?              ?        
1 1 1 -7  2   12 o 138.4161 44.18623 7.145830       4.335744  1.754005       4.226291  50.12941       72.50255 
1 1 1 -7  2   13 o 361.3731 25.21441 26.41542       5.418912  32.55289       5.838048  -38.28107      51.42336 
1 1 1 -7  2   14 o 354.0327 18.76073 29.48422       4.240411  26.53403       3.982529  18.53281       37.97376 
1 1 1 -7  2   15 o 201.8959 26.93520 10.56533       3.282691  8.237153       3.295921  27.18411       55.97231 
1 1 1 -7  2   16 o 127.1328 37.05738 4.643959       3.104409  3.311537       3.097443  15.05532       63.17669 
1 1 1 -7  2   17 o 207.2197 27.30253 10.31658       3.356729  10.11236       3.495988  3.705963       57.66189 
1 1 1 -7  2   18 f 88.14440 36.18778 3.510147       3.086166  -1.514765      3.258109  36.69820       58.41087 
1 1 1 -7  2   19 o 67.02343 31.31868 -4.181497      3.097594  1.763022       3.370688  -34.90450      54.21599 
1 1 1 -7  2   20 o 127.2140 38.71341 6.704580       3.437809  2.603010       3.227640  41.24667       64.09959 
1 1 1 -7  2   21 o 68.53836 31.73241 -0.4644932     3.229933  -1.291841      3.159253  4.993591       52.83893 
1 1 1 -7  3   1  o 202.3239 19.20193 8.452190       2.371955  9.785494       2.390355  -15.41132      39.41619 
1 1 1 -7  3   2  o 134.8609 30.45623 3.693763       2.604469  4.658505       2.384895  -12.75438      55.72821 
1 1 1 -7  3   3  o 127.4535 31.53367 3.300732       2.543633  4.236650       2.419641  -12.26390      56.18060 
1 1 1 -7  3   4  o 566.4802 13.72378 72.33627       4.935631  69.38063       4.716862  11.61292       27.59476 
1 1 1 -7  3   5  o 222.5360 20.49526 9.528335       2.805226  12.69441       2.789799  -33.67072      42.75980 
1 1 1 -7  3   6  o 279.7224 17.76177 17.64742       3.169680  17.26002       2.971981  2.601959       36.09626 
1 1 1 -7  3   7  o 574.8242 14.35360 74.01723       5.153690  71.93200       5.083318  8.195557       28.86990 
1 1 1 -7  3   8  o 600.4250 14.59460 78.63251       5.455966  80.26816       5.415951  -6.286682      29.32813 
1 1 1 -7  3   9  o 446.4515 20.59422 49.69326       6.075781  39.83892       5.366203  49.38959       41.52457 
1 1 1 -7  3   10 o 268.9869 29.31133 12.69058       5.003962  19.44985       4.640215  -61.12009      62.96420 
1 1 1 -7  3   11 o 165.9313 43.74798 6.554729       3.228843  0.000000       0.000000  ?              ?        
1 1 1 -7  3   12 o 418.8191 22.55589 36.42474       5.812138  41.87903       5.865121  -30.01605      45.79845 
1 1 1 -7  3   13 o 260.3851 29.86464 16.10985       4.647353  14.65158       4.831203  14.04037       62.23446 
1 1 1 -7  3   14 o 180.2003 34.86759 8.485729       4.259210  7.131082       3.398228  13.91818       67.79151 
1 1 1 -7  3   15 o 321.5670 18.60724 21.63190       3.602238  24.81449       3.797096  -22.23166      37.79816 
1 1 1 -7  3   16 o 88.95686 35.41156 1.375376       2.909226  1.013195       2.952776  2.641716       58.22191 
1 1 1 -7  3   17 o 97.44418 37.07774 4.726110       3.083568  -0.8785210     3.117221  49.17744       59.01972 
1 1 1 -7  3   18 o 137.3392 36.98779 2.054513       3.133277  8.120011       3.316612  -67.10001      61.33979 
1 1 1 -7  3   19 o 79.87794 34.38424 1.787160       2.999642  -0.9075557     3.173054  16.65798       56.20890 
1 1 1 -7  3   20 o 119.5682 38.29612 4.730172       3.217820  3.279999       3.208071  14.33138       63.33175 
1 1 1 -7  3   21 o 130.4465 38.35716 4.122877       3.255820  5.909563       3.366359  -17.70794      64.74313 
1 1 1 -7  3   22 o 103.4455 46.13986 0.000000       0.000000  2.551382       4.250334  ?              ?        
1 1 1 -7  4   1  o 716.0153 14.28992 115.2825       6.489040  110.7083       6.213890  14.32758       28.68649 
1 1 1 -7  4   2  o 181.9025 23.71687 6.257086       2.608646  8.691656       2.616359  -31.26160      48.96777 
1 1 1 -7  4   3  o 139.0134 30.02215 2.702632       2.533350  6.249177       2.493249  -48.31301      54.06347 
1 1 1 -7  4   4  o 169.1479 25.48592 8.582022       2.670906  4.739969       2.518175  50.76750       51.23941 
1 1 1 -7  4   5  o 210.2605 21.68831 8.457273       2.780180  11.50881       2.796371  -34.33955      45.40017 
1 1 1 -7  4   6  o 259.0947 18.80067 13.70935       2.982717  16.33446       3.019870  -23.49524      38.44253 
1 1 1 -7  4   7  o 485.6987 14.42592 52.40145       4.386667  51.87362       4.297808  2.338745       28.99998 
1 1 1 -7  4   8  o 348.7550 22.76123 27.70660       4.987121  26.55121       4.812085  7.267609       46.20344 
1 1 1 -7  4   9  o 821.7887 22.84279 151.3326       11.84107  148.2480       11.43616  7.984314       46.00031 
1 1 1 -7  4   10 o 609.9921 22.28377 69.12349       8.210405  97.45443       8.641755  -106.0056      45.27708 
1 1 1 -7  4   11 o 540.7666 21.71780 65.01986       5.140943  0.000000       0.000000  ?              ?        
1 1 1 -7  4   12 o 679.5577 22.04945 103.2017       9.295987  102.4483       9.269073  2.491760       44.50368 
1 1 1 -7  4   13 o 168.3232 44.31301 4.643474       4.574653  9.158577       4.813352  -44.21411      76.79550 
1 1 1 -7  4   14 o 130.0508 41.77845 2.570719       4.546999  4.645069       3.360232  -11.18629      70.05727 
1 1 1 -7  4   15 o 350.1190 18.36110 27.47492       3.969434  27.34354       3.978259  0.9002075      37.23829 
1 1 1 -7  4   16 o 252.0587 22.64992 14.26550       3.517481  14.78501       3.490187  -5.078690      47.05325 
1 1 1 -7  4   17 o 109.6094 38.26950 0.5176256      3.187813  5.279838       3.212701  -45.58920      61.45193 
1 1 1 -7  4   18 f 102.5011 38.19521 2.751890       3.202092  2.032597       3.304526  5.577621       62.17551 
1 1 1 -7  4   19 o 138.3564 37.36663 2.965858       3.279205  7.442130       3.284377  -48.60916      63.22080 
1 1 1 -7  4   20 o 101.7732 38.28504 0.9702228      3.353736  4.285776       3.217407  -26.51861      61.12298 
1 1 1 -7  4   21 o 95.99323 37.52470 3.449640       3.340892  1.441835       3.143597  16.20270       60.06002 
1 1 1 -7  4   22 o 63.26735 30.05323 -2.317471      3.314993  -0.9160715     3.093043  -3.842239      50.29654 
1 1 1 -7  5   1  o 440.0356 20.39051 42.99628       3.924956  0.000000       0.000000  ?              ?        
1 1 1 -7  5   2  o 365.7722 14.93001 31.11843       3.461290  28.16752       3.305006  18.24353       30.04745 
1 1 1 -7  5   3  o 233.7195 19.92551 12.54253       2.920710  11.92408       2.805376  5.796173       40.77410 
1 1 1 -7  5   4  o 170.9787 27.21253 5.619787       2.769971  7.892850       2.809586  -29.69995      54.57547 
1 1 1 -7  5   5  o 172.0581 27.16421 6.625407       2.890605  7.028579       2.723223  -5.924423      54.90460 
1 1 1 -7  5   6  o 496.9568 14.69483 53.74595       4.533675  55.59602       4.516451  -8.579651      29.57055 
1 1 1 -7  5   7  o 302.3250 25.11042 17.20958       4.557108  24.26303       4.784602  -53.98386      52.09994 
1 1 1 -7  5   8  o 672.0841 21.15461 97.44170       8.765242  102.9720       8.852482  -18.75323      42.61380 
1 1 1 -7  5   9  o 587.2481 20.85356 78.44823       7.785783  74.52812       7.398101  14.72156       42.00252 
1 1 1 -7  5   10 o 312.8614 36.06257 0.000000       0.000000  22.34873       4.858470  ?              ?        
1 1 1 -7  5   11 f 94.37563 40.36708 -2.540275      4.067318  3.135952       4.343599  -40.56863      67.58241 
1 1 1 -7  5   12 o 334.2355 25.21087 25.22806       5.387956  25.00156       5.009698  0.3220520      51.69611 
1 1 1 -7  5   13 o 252.1080 31.78254 15.38762       5.124695  13.86620       4.632791  12.16008       66.06643 
1 1 1 -7  5   14 o 459.3848 16.61910 46.61537       4.888831  47.02045       4.582198  -2.742706      33.58203 
1 1 1 -7  5   15 o 541.6547 15.97214 65.76128       5.458319  64.77099       5.268270  3.659973       32.22243 
1 1 1 -7  5   16 o 92.79062 36.66584 0.2528686      3.181572  2.475846       3.062305  -17.49902      59.92787 
1 1 1 -7  5   17 o 206.0648 27.44399 9.932097       3.418434  10.30160       3.423415  -4.225815      57.85578 
1 1 1 -7  5   18 o 100.9272 38.02805 2.311539       3.210307  2.299264       3.275480  -0.3356934     61.86063 
1 1 1 -7  5   19 o 200.1688 29.46255 10.71971       3.534918  9.305542       3.563258  16.96915       62.29571 
1 1 1 -7  5   20 o 118.4621 38.67899 5.518945       3.324239  2.665659       3.214195  27.15064       63.26394 
1 1 1 -7  5   21 o 108.9711 38.52001 2.266133       3.346868  4.606704       3.159506  -20.01439      61.68303 
1 1 1 -7  5   22 o 93.98609 37.17970 -0.8859794     3.267257  5.473903       3.158666  -46.82800      58.13231 
1 1 1 -7  6   1  o 331.0683 15.87432 23.47578       3.277165  25.06283       3.224647  -11.15363      32.05606 
1 1 1 -7  6   2  o 311.1482 16.82668 20.90886       3.294093  22.05382       3.180236  -8.785492      34.08501 
1 1 1 -7  6   3  o 225.6957 21.83684 12.06787       3.123289  10.95681       2.924675  10.75554       45.03814 
1 1 1 -7  6   4  o 509.4233 23.02463 58.28883       5.131551  0.000000       0.000000  ?              ?        
1 1 1 -7  6   5  o 410.7762 21.84440 36.81868       5.628540  38.82224       5.467417  -11.88315      44.46478 
1 1 1 -7  6   6  o 234.1228 31.31808 11.74635       4.408488  13.58439       4.460745  -18.21631      64.95159 
1 1 1 -7  6   7  f 351.2347 24.06400 31.02601       5.510314  24.86313       4.956291  39.07318       49.00826 
1 1 1 -7  6   8  o 187.5972 37.81102 13.45601       4.618388  4.394071       3.954342  94.49489       68.21890 
1 1 1 -7  6   9  o 311.7789 18.89555 21.07248       3.700268  22.00759       3.577439  -7.175995      38.27576 
1 1 1 -7  6   10 o 143.4431 51.92894 0.000000       0.000000  4.177849       4.201441  ?              ?        
1 1 1 -7  6   11 o 437.4162 23.39170 41.69451       6.519507  43.68034       6.145053  -11.51596      47.61124 
1 1 1 -7  6   12 o 472.5070 23.00113 51.24378       6.904443  48.67297       6.552393  11.62567       46.62226 
1 1 1 -7  6   13 o 472.8570 19.37852 44.91549       6.797069  52.22269       4.967875  -40.38855      42.38337 
1 1 1 -7  6   14 o 205.5638 27.95738 11.68929       3.566362  7.939241       3.386034  41.66190       57.66781 
1 1 1 -7  6   15 o 266.7246 21.53761 17.28443       3.767747  15.15589       3.337657  16.57198       44.35375 
1 1 1 -7  6   16 o 200.0395 26.48080 11.13487       3.349163  7.869493       3.078571  36.39421       55.21191 
1 1 1 -7  6   17 o 190.1644 28.71837 11.44121       3.507912  6.605365       3.095164  54.20053       58.73166 
1 1 1 -7  6   18 o 88.86555 36.35584 2.740845       3.329664  0.5266977E-01  3.055877  23.00580       59.41458 
1 1 1 -7  6   19 o 84.23785 35.68186 1.963297       3.272158  -0.2503971E-01 3.180609  14.47178       58.06865 
1 1 1 -7  6   20 o 63.03822 29.95008 0.2086151      3.385996  -3.334350      3.006419  20.61721       51.44356 
1 1 1 -7  6   21 f 109.5519 38.78304 7.926007       3.529339  0.2705677      3.101345  66.79534       61.05017 
1 1 1 -7  6   22 o 97.33958 37.77235 3.694634       3.444258  2.008059       3.105136  13.22720       60.01171 
1 1 1 -7  7   1  o 309.2184 24.98485 20.54090       4.759700  22.65803       4.743700  -16.17822      51.44077 
1 1 1 -7  7   2  f 162.4471 41.02202 6.836815       4.247954  6.021827       4.028740  8.816498       73.04224 
1 1 1 -7  7   3  o 311.2644 25.01217 20.40212       4.865415  23.39502       4.715734  -23.36819      51.82444 
1 1 1 -7  7   4  o 164.6643 44.13680 7.671133       4.835262  5.836496       4.395690  18.45036       77.27324 
1 1 1 -7  7   5  o 190.4453 40.46882 10.38075       4.921781  7.454567       4.390234  29.12079       75.85016 
1 1 1 -7  7   6  o 161.6131 42.56389 7.143407       4.499286  5.537396       4.170259  17.02950       74.79946 
1 1 1 -7  7   7  o 118.3058 38.34823 4.794222       3.217169  1.435397       3.213431  35.38367       63.18378 
1 1 1 -7  7   8  o 93.11368 40.00450 -1.327317      4.317052  1.059299       4.014535  -11.45205      66.93445 
1 1 1 -7  7   9  o 194.3793 38.11752 7.417640       4.551942  10.09173       4.320688  -28.27086      72.60661 
1 1 1 -7  7   10 o 493.3507 22.69148 55.88555       7.254915  52.78566       6.637769  13.11398       45.96207 
1 1 1 -7  7   11 o 534.3727 23.06074 59.68665       7.659451  67.82133       7.593452  -35.37909      46.82107 
1 1 1 -7  7   12 f 434.5855 17.25952 39.41424       4.801464  44.04666       4.500366  -25.21271      35.06054 
1 1 1 -7  7   13 o 778.9502 16.97830 136.5416       8.378135  132.2776       8.040099  11.91602       34.18679 
1 1 1 -7  7   14 o 452.9338 17.06367 45.51511       4.898897  45.73058       4.680019  -1.688690      34.48164 
1 1 1 -7  7   15 o 422.5001 17.40949 39.44342       4.659759  40.32766       4.453256  -5.590912      35.30846 
1 1 1 -7  7   16 o 201.7845 28.01481 9.547061       3.476792  9.699844       3.351055  -2.802078      58.52086 
1 1 1 -7  7   17 o 80.67369 34.59473 -0.8163331E-01 3.290210  0.8143675      2.936346  -2.290291      57.01933 
1 1 1 -7  7   18 o 117.1823 38.70507 2.356565       3.371784  4.788711       3.174035  -22.94431      63.35278 
1 1 1 -7  7   19 f 63.16717 30.06940 -2.859060      3.429095  -1.378917      3.072142  -2.358727      51.16208 
1 1 1 -7  7   20 o 96.64964 38.27676 0.5297735      3.572656  3.948286       3.263291  -23.23454      60.59915 
1 1 1 -7  7   21 o 118.1009 39.81529 4.077192       3.585334  4.642341       3.339048  -5.377953      64.38247 
1 1 1 -7  7   22 o 86.54056 36.53756 2.612096       3.576370  1.087277       3.185080  11.01626       58.01834 
1 1 1 -7  8   1  o 234.4969 23.58141 13.79697       3.448409  11.21797       3.322517  25.45680       48.98353 
1 1 1 -7  8   2  o 306.2924 26.33559 22.33316       5.023135  20.37100       4.889981  14.51187       54.42973 
1 1 1 -7  8   3  o 491.3355 22.72756 57.11304       6.983695  51.41959       6.835234  26.34537       46.17961 
1 1 1 -7  8   4  o 329.4939 26.16937 22.21272       5.241178  27.09684       5.371004  -34.34705      54.06540 
1 1 1 -7  8   5  o 630.2536 22.36625 88.37301       8.903700  88.96037       8.566901  -3.033997      45.26233 
1 1 1 -7  8   6  o 241.6487 31.94496 9.979506       4.776006  16.48128       4.573304  -63.66138      66.87708 
1 1 1 -7  8   7  o 582.4404 21.97001 74.01366       8.022509  76.61055       7.828127  -10.63062      44.35028 
1 1 1 -7  8   8  o 604.8384 22.29674 77.69872       8.299983  84.83237       8.403541  -26.94598      44.97972 
1 1 1 -7  8   9  o 241.3281 32.99697 10.44639       4.782012  16.27985       4.839385  -55.97670      68.09092 
1 1 1 -7  8   10 f 339.5988 19.09355 25.00209       4.146244  26.19010       3.879180  -8.723328      38.80130 
1 1 1 -7  8   11 o 154.4208 34.75253 5.520127       3.524015  5.732360       3.028623  -2.061966      64.17138 
1 1 1 -7  8   12 f 226.6127 26.55172 10.70555       3.791548  12.50412       3.544427  -19.92003      55.61289 
1 1 1 -7  8   13 o 149.4413 39.98997 5.325788       3.911401  5.383847       3.660876  0.1544037      70.02032 
1 1 1 -7  8   14 f 356.6974 18.78850 25.88086       4.194388  30.90161       4.092703  -33.03973      38.39808 
1 1 1 -7  8   15 o 183.1278 32.08363 5.732887       3.579724  10.14234       3.447741  -52.14098      62.73792 
1 1 1 -7  8   16 o 155.1408 36.85516 4.794869       3.500924  7.368670       3.487097  -29.31429      66.36301 
1 1 1 -7  8   17 o 193.2138 30.55058 7.846577       3.584209  10.51813       3.497434  -32.27718      62.87539 
1 1 1 -7  8   18 o 221.9889 27.01419 12.60177       3.758754  11.47469       3.538185  9.342087       58.24184 
1 1 1 -7  8   19 o 109.8696 37.77103 4.766667       3.369003  2.276241       2.906176  24.28805       61.90786 
1 1 1 -7  8   20 o 163.1323 36.42367 8.565402       3.772369  6.844231       3.436188  14.70544       68.28012 
1 1 1 -7  8   21 o 118.2461 40.00700 5.349996       3.710612  3.833141       3.302923  11.61687       64.71141 
1 1 1 -7  8   22 o 75.45174 34.00812 1.346750       3.497759  -0.2411976     3.238060  9.711975       54.64381 
1 1 1 -7  9   1  o 308.3405 27.03021 19.66289       4.887449  23.92263       5.384196  -30.32059      55.84159 
1 1 1 -7  9   2  o 107.6025 42.61401 -0.6188533     4.043784  4.515124       4.429333  -42.04473      70.05804 
1 1 1 -7  9   3  o 225.7084 31.92704 12.07357       4.408163  11.48188       4.285437  5.563675       65.73880 
1 1 1 -7  9   4  o 359.0385 18.96401 28.41441       4.315846  28.88876       4.109098  -3.551666      38.41768 
1 1 1 -7  9   5  o 242.4479 23.39775 17.24257       3.688430  9.969752       3.295219  68.84366       48.94601 
1 1 1 -7  9   6  o 374.4841 17.88213 29.15772       4.275046  32.74566       4.020689  -22.57840      36.34009 
1 1 1 -7  9   7  o 360.8612 18.68487 26.52445       4.283190  30.95952       4.062291  -28.82986      38.06976 
1 1 1 -7  9   8  o 274.0050 22.25364 18.45320       3.925686  15.34835       3.595867  25.47534       45.42517 
1 1 1 -7  9   9  o 95.68077 41.17868 0.000000       0.000000  -0.2105374E-01 3.125210  ?              ?        
1 1 1 -7  9   10 o 326.4756 19.66588 27.44708       4.275932  20.96645       3.712111  44.12494       39.86911 
1 1 1 -7  9   11 o 213.1938 27.06508 10.19475       3.724823  10.52038       3.309420  -5.490555      56.52067 
1 1 1 -7  9   12 o 108.2989 39.63928 3.077440       3.575063  1.565317       3.383917  15.62651       65.40151 
1 1 1 -7  9   13 o 201.7327 32.69071 7.321891       4.017731  11.56541       3.887476  -47.21700      65.44885 
1 1 1 -7  9   14 o 221.5715 27.34566 8.690528       3.671309  14.02322       3.686471  -56.97005      57.79700 
1 1 1 -7  9   15 o 217.9951 27.66855 11.45712       3.834813  10.86311       3.502466  3.895950       58.25993 
1 1 1 -7  9   16 o 69.75162 32.05602 -2.883954      3.252047  0.3782047      3.101553  -16.56513      54.32807 
1 1 1 -7  9   17 o 149.1202 37.23628 2.629327       3.367175  9.519013       3.504542  -74.31470      62.67300 
1 1 1 -7  9   18 o 70.60400 32.47156 -5.845222      3.362605  3.523927       3.175884  -50.09277      54.77523 
1 1 1 -7  9   19 o 124.4934 39.22752 2.782113       3.479910  6.124256       3.293321  -31.95128      64.04469 
1 1 1 -7  9   20 o 145.8875 38.70061 6.378976       3.596916  6.549716       3.523068  -2.399887      67.63046 
1 1 1 -7  9   21 o 74.04032 33.27365 1.816027       3.487504  -0.6626290     2.957725  17.11722       54.25473 
1 1 1 -7  9   22 o 159.1556 37.42820 6.101090       3.758190  9.636477       3.519086  -39.41634      66.95151 
1 1 1 -7  10  1  o 85.18755 35.95232 2.324740       3.506217  -1.279371      3.050751  34.06302       60.49193 
1 1 1 -7  10  2  o 95.63776 37.19353 3.193436       3.375706  -0.5212857E-01 2.993992  33.68103       61.48898 
1 1 1 -7  10  3  o 173.9774 32.91817 4.844460       3.448577  9.159711       3.397020  -51.20480      62.34276 
1 1 1 -7  10  4  o 475.2677 16.66439 46.66437       4.855320  53.35455       4.956991  -32.14044      33.55894 
1 1 1 -7  10  5  o 355.7559 18.57559 28.12026       4.175509  27.99764       4.000342  0.4590149      37.53166 
1 1 1 -7  10  6  o 683.3639 16.66097 106.8053       7.290383  99.76144       6.855037  23.00848       33.51217 
1 1 1 -7  10  7  o 386.1929 18.35602 31.96296       4.424335  34.09472       4.346393  -12.86099      37.07134 
1 1 1 -7  10  8  o 301.5533 21.28247 19.74308       4.063990  20.76592       3.855300  -8.458496      43.42971 
1 1 1 -7  10  9  o 266.0313 23.23942 15.88585       3.913643  15.90787       3.689495  -1.003082      47.80232 
1 1 1 -7  10  10 o 202.7359 29.57749 10.02908       3.828681  9.028172       3.425270  9.693283       60.66132 
1 1 1 -7  10  11 o 113.0532 40.58559 7.875237       3.988025  -1.078880      3.338572  87.93343       63.90820 
1 1 1 -7  10  12 o 85.15483 36.89843 -1.179306      3.737307  0.7619512      3.470409  -9.422752      61.73920 
1 1 1 -7  10  13 o 158.1497 38.56008 3.548887       3.797366  8.482637       3.700933  -53.43298      67.17863 
1 1 1 -7  10  14 o 362.2296 19.63424 29.90065       4.513194  29.20231       4.286174  3.471832       40.01210 
1 1 1 -7  10  15 o 83.33644 36.04647 -1.287344      3.552953  1.464945       3.301047  -15.32132      59.59375 
1 1 1 -7  10  16 o 300.7908 21.68088 21.73169       4.082359  20.12291       3.957016  11.63861       45.01578 
1 1 1 -7  10  17 o 96.86107 38.19437 2.154584       3.406494  1.971323       3.353002  1.746704       61.68296 
1 1 1 -7  10  18 o 110.4643 39.54018 2.473709       3.537978  4.078122       3.337749  -13.08790      63.84033 
1 1 1 -7  10  19 o 151.9975 37.17746 8.702401       3.662464  4.963199       3.315218  37.24940       66.52615 
1 1 1 -7  10  20 f 83.15257 36.01075 -0.3367513E-01 3.633032  2.263353       3.243301  -10.99144      57.21813 
1 1 1 -7  10  21 o 92.21368 37.58509 0.6262718      3.382468  4.414039       3.392396  -24.65146      58.85287 
1 1 1 -7  10  22 o 73.19949 33.26244 -1.039795      3.474673  1.761782       3.138040  -11.54992      52.89169 
1 1 1 -7  11  1  o 468.4641 17.34862 51.07126       5.303874  46.42662       4.799385  21.94958       34.95066 
1 1 1 -7  11  2  o 200.7015 29.07347 11.98915       3.717904  6.906000       3.340920  56.58102       58.80228 
1 1 1 -7  11  3  o 551.8402 16.73932 67.99680       5.895088  66.62341       5.566153  5.241516       33.68014 
1 1 1 -7  11  4  o 109.7881 38.18875 2.939108       3.463804  2.148320       2.964355  12.87725       63.68987 
1 1 1 -7  11  5  o 410.8758 18.15381 34.85961       4.593229  39.95531       4.638147  -28.45926      36.65306 
1 1 1 -7  11  6  o 373.5528 19.87019 30.06232       4.780330  31.77855       4.416814  -11.38312      40.41021 
1 1 1 -7  11  7  o 417.5849 19.20476 35.61123       4.831221  42.16889       5.102734  -35.56680      38.78265 
1 1 1 -7  11  8  o 263.7971 24.05711 18.08126       4.044816  13.57371       3.757813  39.07375       49.68636 
1 1 1 -7  11  9  o 134.1147 39.12340 5.610068       3.595177  3.105125       3.330242  28.39576       66.57552 
1 1 1 -7  11  10 o 107.1660 40.54379 2.458277       3.876315  1.754155       3.535520  9.306602       66.91019 
1 1 1 -7  11  11 o 139.7465 41.50216 2.538655       3.942728  6.572352       3.780234  -39.47434      69.27589 
1 1 1 -7  11  12 o 389.7708 25.14827 39.14803       5.368019  25.98460       7.075604  90.02533       59.51813 
1 1 1 -7  11  13 o 99.90117 39.54781 4.108285       3.866875  -0.4424928     3.442293  40.52557       65.02980 
1 1 1 -7  11  14 o 89.01244 37.32299 1.694609       3.695268  -0.6691886E-01 3.284724  17.21643       61.91138 
1 1 1 -7  11  15 o 212.3887 29.72466 8.393665       3.857728  13.19252       3.762285  -53.77098      62.40728 
1 1 1 -7  11  16 f 90.62311 37.65873 -2.598974      3.546238  4.756876       3.432706  -51.06044      60.39882 
1 1 1 -7  11  17 o 108.7226 39.89209 2.175690       3.618014  4.063760       3.435814  -14.76998      64.15327 
1 1 1 -7  11  18 o 110.2052 39.65956 3.966554       3.681878  2.988336       3.272899  8.943085       64.16516 
1 1 1 -7  11  19 o 115.9817 40.10896 3.302930       3.667819  4.955712       3.372884  -14.04270      64.30164 
1 1 1 -7  11  20 o 86.95097 37.26817 0.9675574      3.783994  2.335565       3.427065  -6.213295      58.72122 
1 1 1 -7  11  21 o 82.85849 36.22670 3.341047       3.715032  0.1692410      3.374921  17.83265       57.15054 
1 1 1 -7  11  22 o 82.37710 36.32328 4.472832       3.740844  -0.6220723     3.511498  25.77267       57.00529 
1 1 1 -7  12  1  o 440.1906 19.07406 41.51834       5.363645  44.16050       5.043133  -14.37552      38.61709 
1 1 1 -7  12  2  o 265.9160 24.43577 14.80301       4.172172  16.72405       3.822232  -18.14920      50.87065 
1 1 1 -7  12  3  o 384.1354 19.58493 31.65725       4.843154  33.66593       4.480817  -12.79138      39.80299 
1 1 1 -7  12  4  o 264.4279 23.96280 14.84811       4.067895  16.37325       3.730021  -14.69797      49.76059 
1 1 1 -7  12  5  o 345.5367 19.88758 23.99748       4.374375  28.81780       4.126034  -32.97635      40.77728 
1 1 1 -7  12  6  f 155.5192 37.35784 4.631552       3.820662  6.575500       3.344193  -20.91891      67.04876 
1 1 1 -7  12  7  f 115.1292 40.63309 2.338915       3.807971  3.122397       3.447414  -3.996262      67.20281 
1 1 1 -7  12  8  o 109.4298 40.30139 1.404191       3.832287  3.059735       3.407951  -10.36460      66.24667 
1 1 1 -7  12  9  o 239.8537 28.16773 11.51382       4.282248  14.57178       3.959120  -32.00305      59.63694 
1 1 1 -7  12  10 o 255.8423 27.30677 15.86174       4.472416  14.10055       4.087137  14.50682       56.80012 
1 1 1 -7  12  11 o 282.0101 27.43935 14.26437       4.837541  21.68954       4.647242  -64.12842      59.18995 
1 1 1 -7  12  12 o 95.38168 43.02744 -1.218308      3.812936  0.000000       0.000000  ?              ?        
1 1 1 -7  12  13 o 568.5773 19.12663 68.69962       6.673103  76.78722       6.801461  -32.36792      38.83257 
1 1 1 -7  12  14 f 183.4892 35.24308 7.142275       4.087312  9.325297       3.676580  -26.72412      68.41505 
1 1 1 -7  12  15 o 399.7643 19.64020 36.30172       5.024119  36.80189       4.702809  -5.306213      40.45299 
1 1 1 -7  12  16 o 212.5910 30.52534 9.124296       3.912940  13.54887       3.907482  -48.94325      64.59935 
1 1 1 -7  12  17 o 60.12711 29.29756 -4.944320      3.616639  -1.961384      3.447195  -8.906548      50.65195 
1 1 1 -7  12  18 o 91.07009 38.25513 5.717043       3.928568  -1.320888      3.436204  47.68330       61.98207 
1 1 1 -7  12  19 o 131.6564 40.78779 6.613808       3.996468  4.979315       3.417907  10.70319       67.53184 
1 1 1 -7  12  20 o 78.10189 34.78489 -1.739361      3.493502  3.141592       3.320036  -24.75517      55.56077 
1 1 1 -7  12  21 o 87.64273 37.02089 2.915669       3.690792  1.924305       3.261135  6.253677       57.46167 
1 1 1 -7  12  22 o 64.65963 30.86484 -1.949308      3.583652  0.2144807      3.345299  -6.291916      49.68394 
1 1 1 -7  13  1  o 358.7764 21.51566 27.70511       4.879650  29.57545       4.660777  -12.63400      43.77210 
1 1 1 -7  13  2  o 398.8895 20.70408 33.42163       5.354998  37.05388       4.887862  -22.19128      42.35660 
1 1 1 -7  13  3  o 500.6820 18.61519 51.88690       5.937997  58.93543       5.618269  -33.09604      37.80360 
1 1 1 -7  13  4  o 222.1227 29.45658 8.307343       4.161635  13.74661       3.782976  -58.62364      62.09208 
1 1 1 -7  13  5  o 146.6855 38.96355 0.4590696      3.740130  9.185014       3.483445  -88.86256      61.81202 
1 1 1 -7  13  6  o 399.7295 19.65857 35.99207       5.111036  35.30752       4.641952  2.664368       39.94572 
1 1 1 -7  13  7  o 209.8692 30.38235 11.96463       4.160331  8.862371       3.584539  31.39586       62.24892 
1 1 1 -7  13  8  o 171.7527 38.26007 10.68303       4.278143  4.338268       3.723085  68.55658       68.54363 
1 1 1 -7  13  9  o 147.3000 43.31784 6.834347       4.562417  3.999833       3.946199  29.91785       74.00362 
1 1 1 -7  13  10 o 214.4765 34.71026 8.978999       4.643878  12.37922       4.296938  -36.75508      70.05800 
1 1 1 -7  13  11 o 399.7664 25.29010 27.19313       7.906081  40.42348       5.316741  -96.37152      64.76946 
1 1 1 -7  13  12 o 345.4491 34.54334 28.34432       5.164067  0.000000       0.000000  ?              ?        
1 1 1 -7  13  13 o 299.5288 24.30338 20.91948       4.672715  20.52237       4.303809  0.4132690      50.76891 
1 1 1 -7  13  14 o 88.99731 38.02784 -2.194452      3.926132  2.998484       3.542016  -29.32432      61.91821 
1 1 1 -7  13  15 o 86.31212 37.30787 -2.444914      3.821393  3.163277       3.514968  -31.72988      60.67754 
1 1 1 -7  13  16 o 92.76870 38.47628 3.529746       3.826876  0.1846454      3.462970  24.36076       62.19759 
1 1 1 -7  13  17 o 129.7738 42.57342 1.489993       4.075614  8.434222       3.847971  -57.58753      66.98196 
1 1 1 -7  13  18 o 90.94327 41.29119 0.000000       0.000000  1.109210       3.579683  ?              ?        
1 1 1 -7  13  19 o 108.6533 40.63937 1.379670       3.851916  6.360805       3.544260  -34.97877      62.79654 
1 1 1 -7  13  20 o 169.0567 38.88538 8.655048       4.069558  9.831713       3.920298  -14.04991      71.53558 
1 1 1 -7  13  21 o 89.81467 37.75214 1.882640       3.716866  3.526379       3.431776  -8.783463      57.78728 
1 1 1 -7  13  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  14  1  o 142.4729 41.05416 5.984869       3.926244  3.778006       3.732897  23.67181       70.16956 
1 1 1 -7  14  2  o 348.0406 22.83812 24.11760       5.032710  29.89543       4.783634  -39.66132      47.24176 
1 1 1 -7  14  3  o 387.3248 21.91883 36.39446       5.657025  31.43238       4.911362  27.30606       44.60860 
1 1 1 -7  14  4  o 303.2642 23.97754 19.04114       4.614276  22.20225       4.345787  -25.59622      49.77195 
1 1 1 -7  14  5  o 128.2027 41.64981 5.489437       4.027524  2.425723       3.592736  32.35672       69.44944 
1 1 1 -7  14  6  o 160.8361 40.63430 6.290233       4.225723  6.216201       3.903182  1.323532       72.38336 
1 1 1 -7  14  7  o 148.5787 43.16153 6.710346       4.578503  4.284871       3.923103  26.14166       74.09972 
1 1 1 -7  14  8  o 372.1880 22.09793 28.47140       5.192745  33.42016       4.972257  -31.73129      45.35527 
1 1 1 -7  14  9  o 69.13499 33.47210 -2.296925      4.632127  -6.755376      4.224259  22.48449       60.05461 
1 1 1 -7  14  10 o 237.4223 31.35836 10.21789       4.662853  15.76877       4.363224  -56.93268      66.34303 
1 1 1 -7  14  11 o 188.6127 46.70014 3.419022       7.660847  11.11774       4.442298  -56.44322      81.38982 
1 1 1 -7  14  12 o 187.3806 44.93687 9.303101       4.672437  8.993398       5.828909  6.532959       82.00759 
1 1 1 -7  14  13 o 182.8068 39.16632 11.00872       4.661920  6.872443       4.023696  39.26901       73.65668 
1 1 1 -7  14  14 o 74.15726 34.71898 -4.628616      4.248540  0.4283174      3.783207  -17.42386      58.58527 
1 1 1 -7  14  15 o 85.58751 37.79235 2.607596       4.354673  -1.028554      3.613609  25.56643       62.54654 
1 1 1 -7  14  16 o 136.7078 42.50103 5.514612       4.209229  5.911434       3.792489  -4.903267      70.41885 
1 1 1 -7  14  17 o 88.53299 38.31347 -1.734082      4.116696  3.868133       3.658960  -27.91447      60.78627 
1 1 1 -7  14  18 o 82.46729 36.57764 2.465258       3.921232  -0.7536053E-01 3.554200  14.64510       58.40524 
1 1 1 -7  14  19 o 77.91874 35.32076 -1.455709      3.848103  2.737041       3.543107  -17.51488      55.85292 
1 1 1 -7  14  20 f 69.21888 32.62016 1.435486       3.823048  -1.636070      3.462109  13.50628       52.47474 
1 1 1 -7  14  21 o 59.32551 29.04133 -4.046262      3.837180  -0.6036929     3.378342  -6.856743      47.50993 
1 1 1 -7  15  1  o 410.8670 22.53016 37.15281       5.779989  38.30215       5.662361  -6.819153      45.74171 
1 1 1 -7  15  2  o 172.1909 42.74730 8.897673       4.691143  5.614624       4.411281  33.22269       75.93204 
1 1 1 -7  15  3  o 156.9514 44.49654 9.226146       4.678460  3.042080       4.395185  59.45508       74.59971 
1 1 1 -7  15  4  o 200.1185 38.62960 11.67617       5.033744  7.939555       4.296688  36.84912       74.37803 
1 1 1 -7  15  5  o 326.0176 25.55521 25.61872       5.277847  22.55619       4.988191  20.89029       52.45553 
1 1 1 -7  15  6  o 106.9482 42.42173 -0.3666356     4.361135  3.440157       4.040381  -24.54301      69.35030 
1 1 1 -7  15  7  o 189.1188 42.84176 4.289119       5.237362  12.21683       4.635611  -74.35172      75.15030 
1 1 1 -7  15  8  o 70.28077 34.14745 -7.454356      5.004898  -3.486885      4.446949  -6.817825      60.40033 
1 1 1 -7  15  9  o 95.64478 40.59934 -4.270783      4.395370  4.613571       4.012009  -52.14478      65.86688 
1 1 1 -7  15  10 o 218.0799 33.82158 8.475762       4.541536  14.09342       4.321229  -59.55223      68.97644 
1 1 1 -7  15  11 o 93.51258 42.38960 0.000000       0.000000  -0.9604104     3.754243  ?              ?        
1 1 1 -7  15  12 o 111.8818 45.24473 1.616687       4.279844  3.949883       5.779418  -22.68127      74.59488 
1 1 1 -7  15  13 o 89.74827 38.82116 -1.331191      4.337851  2.090411       3.677624  -14.01909      63.19680 
1 1 1 -7  15  14 o 120.9310 43.90760 3.387441       4.778583  4.602939       3.868253  -6.939880      70.64067 
1 1 1 -7  15  15 o 89.05047 39.07315 2.359269       4.690290  0.2218804      3.750468  16.23069       63.45734 
1 1 1 -7  15  16 o 88.74597 39.10048 -0.6564326E-01 4.418035  2.077404       3.990090  -8.245155      62.39006 
1 1 1 -7  15  17 o 124.6921 43.89122 10.71055       4.709022  1.977068       3.849685  59.39230       69.93501 
1 1 1 -7  15  18 o 112.3554 42.40667 2.993085       4.308169  6.135018       3.809569  -20.88793      65.01673 
1 1 1 -7  15  19 o 81.15986 36.80702 2.451188       4.345633  0.4020280      3.739419  10.35149       57.70982 
1 1 1 -7  15  20 o 55.46854 27.68644 -5.719345      3.993820  -2.402056      3.781059  -6.039764      46.17036 
1 1 1 -7  15  21 o 70.62215 33.20990 1.653319       3.975146  -0.2155131     3.518002  7.780113       51.68974 
1 1 1 -7  16  1  o 91.85326 42.33857 -3.502398      5.367010  -1.239761      5.854361  -15.06530      72.57099 
1 1 1 -7  16  2  o 422.2399 34.86170 41.21740       6.399199  0.000000       0.000000  ?              ?        
1 1 1 -7  16  3  o 400.6324 23.82917 33.67102       5.902435  38.58683       5.888160  -28.65768      48.72721 
1 1 1 -7  16  4  o 170.8634 46.98318 11.32513       5.141513  3.186028       5.126795  71.89462       78.19431 
1 1 1 -7  16  5  o 131.3904 46.77417 6.712850       4.918046  1.214365       4.686718  44.44086       76.17425 
1 1 1 -7  16  6  o 116.2122 44.00344 7.149837       4.520963  -1.273030      4.203726  67.53989       70.44042 
1 1 1 -7  16  7  o 133.3558 44.37645 3.927661       4.329517  4.603480       4.259937  -5.544479      73.63668 
1 1 1 -7  16  8  o 156.9430 43.63735 5.752593       4.828316  6.632939       4.071225  -7.527039      75.61815 
1 1 1 -7  16  9  f 178.8514 41.65447 3.254547       4.716250  12.37934       4.373077  -87.52599      70.83997 
1 1 1 -7  16  10 o 102.1393 41.84490 -0.3267223E-01 4.426906  2.993071       4.049139  -16.74144      67.99004 
1 1 1 -7  16  11 o 180.4147 50.45705 0.000000       0.000000  9.359874       4.148232  ?              ?        
1 1 1 -7  16  12 o 184.3419 42.90248 10.04465       4.999067  8.783024       4.647322  9.478760       79.02005 
1 1 1 -7  16  13 o 84.51111 37.87683 -1.220505      4.546011  0.9104566      3.768712  -4.225945      61.95037 
1 1 1 -7  16  14 o 82.52795 37.44342 -1.248711      4.573065  1.007768       3.831995  -5.066338      60.67361 
1 1 1 -7  16  15 o 82.26701 37.14226 -1.879276      4.269525  2.054974       3.823016  -15.48126      59.89061 
1 1 1 -7  16  16 o 176.9947 41.44732 8.263583       4.696208  11.24551       4.273794  -33.24005      74.85235 
1 1 1 -7  16  17 o 71.81555 34.24163 3.414064       4.598561  -4.341751      3.939826  30.48615       57.25369 
1 1 1 -7  16  18 o 105.8556 43.09774 4.681080       4.796119  4.732462       4.166239  -1.706001      64.75776 
1 1 1 -7  16  19 o 74.50223 34.98778 4.456972       4.627714  -2.027729      3.736366  24.82719       56.15269 
1 1 1 -7  16  20 o 106.1258 42.07756 3.917759       4.371322  6.640283       3.911305  -15.82056      61.86996 
1 1 1 -7  16  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  17  1  o 222.0619 39.63975 14.76602       5.011131  8.635736       5.550073  60.72133       77.52887 
1 1 1 -7  17  2  o 212.8670 40.21013 8.547130       4.769209  14.54685       5.548965  -54.87904      77.80056 
1 1 1 -7  17  3  o 106.9329 44.25007 5.580087       4.803792  -2.803515      4.771957  53.18316       71.98564 
1 1 1 -7  17  4  o 209.3499 38.08521 7.395948       4.788144  13.90491       4.739741  -65.44765      73.49300 
1 1 1 -7  17  5  o 128.4706 44.86891 3.151879       4.382043  4.655867       4.416697  -12.52139      73.76349 
1 1 1 -7  17  6  o 242.8486 33.09462 9.226465       4.839787  19.02943       4.872203  -93.57031      69.21886 
1 1 1 -7  17  7  o 95.67306 40.74453 0.8862434      4.339386  0.5502546      4.155644  3.821350       67.13049 
1 1 1 -7  17  8  o 138.5235 43.89854 3.826829       4.140182  6.277652       4.327693  -22.35083      73.13844 
1 1 1 -7  17  9  o 114.4681 43.18072 4.049484       4.529751  2.279724       3.905931  16.63369       70.49949 
1 1 1 -7  17  10 o 109.8505 43.52444 5.977418       4.610489  -0.1735517     4.229531  43.65211       70.27133 
1 1 1 -7  17  11 o 82.21481 38.51741 -8.751179      7.234155  0.3040440      3.980360  -2.710358      64.56378 
1 1 1 -7  17  12 o 91.53048 39.87619 5.295797       4.786251  -1.805789      3.857801  45.09880       66.31524 
1 1 1 -7  17  13 o 83.64297 38.05204 5.997426       5.031172  -3.320661      3.852666  50.71938       64.88535 
1 1 1 -7  17  14 o 83.85406 38.13348 -0.3671243     4.701639  0.7634418      4.049446  -0.9778061     61.38538 
1 1 1 -7  17  15 o 67.19119 32.68865 -1.844898      4.696228  -3.708219      4.064102  10.26460       54.85882 
1 1 1 -7  17  16 o 71.70730 34.02839 2.575516       4.478633  -3.350684      3.772137  25.41882       56.48750 
1 1 1 -7  17  17 o 87.54324 41.89445 1.672564       4.566963  0.000000       0.000000  ?              ?        
1 1 1 -7  17  18 o 93.34126 40.35148 3.199220       4.678013  3.504740       3.970480  -1.557220      60.75955 
1 1 1 -7  17  19 o 80.35487 36.82828 3.615154       4.577409  1.182955       3.824754  8.821671       55.76660 
1 1 1 -7  17  20 o 86.16312 38.52777 1.745686       4.592321  4.973954       3.923937  -12.09134      56.32536 
1 1 1 -7  18  1  o 216.7458 41.83214 12.76423       4.906583  10.67202       6.139799  27.03760       81.98950 
1 1 1 -7  18  2  o 149.5539 47.03242 7.299493       4.475443  3.828204       5.378065  26.30669       77.76321 
1 1 1 -7  18  3  o 87.39513 39.57735 0.2278312      4.277956  -2.588488      5.045267  5.777138       66.16943 
1 1 1 -7  18  4  o 95.02753 41.61830 -2.883075      4.371864  4.329958       5.064527  -46.26978      69.90079 
1 1 1 -7  18  5  o 99.30260 45.07013 -0.8005740     4.260116  0.000000       0.000000  ?              ?        
1 1 1 -7  18  6  o 96.57745 41.13369 0.2696008      4.398458  1.559369       4.258418  -6.486275      67.29642 
1 1 1 -7  18  7  o 76.65558 35.68489 -3.634478      4.187595  0.4812125E-01  4.064346  -15.57793      60.37830 
1 1 1 -7  18  8  o 142.0555 45.64914 4.420400       4.437648  7.032453       4.698438  -21.67758      75.51743 
1 1 1 -7  18  9  o 110.8502 44.00705 -1.718016      4.394047  7.971214       4.645155  -65.22757      69.86335 
1 1 1 -7  18  10 o 128.8798 45.07472 7.292324       4.621139  2.743145       4.279762  34.72787       72.74049 
1 1 1 -7  18  11 o 101.4377 42.13100 -0.8910195     4.638115  4.998306       4.130913  -31.21965      66.40990 
1 1 1 -7  18  12 o 80.83183 37.07360 -0.5207019     4.548870  0.1557551      3.947692  1.098846       60.14759 
1 1 1 -7  18  13 o 89.70675 39.61335 1.852143       4.802305  0.8914314      3.960966  8.442902       63.31719 
1 1 1 -7  18  14 o 62.20416 30.74174 -5.592105      4.870200  -3.480311      3.956653  1.834839       52.10963 
1 1 1 -7  18  15 o 78.60139 36.55490 0.5424325      4.918011  0.9240090E-01  3.885386  6.087891       58.21003 
1 1 1 -7  18  16 o 84.82166 38.41708 -0.4192513     4.947196  3.374228       3.926684  -11.83007      58.79208 
1 1 1 -7  18  17 o 91.14108 40.10152 3.172331       4.955253  3.156164       3.984127  0.2102661E-01  60.37804 
1 1 1 -7  18  18 f 83.61279 38.28349 1.566403       4.815002  3.693846       4.190554  -6.737549      56.88666 
1 1 1 -7  18  19 o 79.77383 39.09801 2.524531       4.637735  0.000000       0.000000  ?              ?        
1 1 1 -7  18  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  19  1  o 100.9929 43.79184 -1.413394      4.556635  4.780067       5.817047  -40.77558      73.23197 
1 1 1 -7  19  2  o 94.90502 42.49399 -1.087818      4.635392  1.497739       5.888268  -21.34129      70.96323 
1 1 1 -7  19  3  o 93.30701 41.46858 -0.3585573     4.328831  0.8257443      5.500721  -15.00498      68.91148 
1 1 1 -7  19  4  o 85.64163 39.19024 -2.596930      4.295122  1.422526       5.179939  -26.10987      66.29115 
1 1 1 -7  19  5  o 100.2752 43.18334 3.728478       4.564723  -2.119659      5.237101  25.63371       69.58614 
1 1 1 -7  19  6  o 119.3870 45.40075 2.946586       4.400004  4.635889       4.940076  -13.24749      73.20903 
1 1 1 -7  19  7  o 88.44702 39.48574 -1.801852      4.426856  2.088909       4.398457  -19.16757      64.66784 
1 1 1 -7  19  8  o 81.84140 37.36522 1.410868       4.171147  -2.471506      4.267791  17.30996       61.56588 
1 1 1 -7  19  9  o 125.6370 43.90334 3.089895       4.118644  6.768626       4.312650  -27.90277      70.47691 
1 1 1 -7  19  10 f 128.4185 46.10505 6.341361       4.854942  4.767698       4.508412  9.926285       73.14690 
1 1 1 -7  19  11 o 82.61762 38.19525 -2.666530      4.801927  1.851592       4.426345  -15.38557      61.73022 
1 1 1 -7  19  12 o 82.20557 37.84422 -2.678486      4.578583  2.554177       4.332299  -19.65230      60.94972 
1 1 1 -7  19  13 o 82.79565 37.85212 -0.4957011     4.525617  1.713423       4.190599  -7.348137      59.89706 
1 1 1 -7  19  14 o 121.9206 45.57640 7.930082       4.981628  4.765882       4.356587  15.01364       69.82635 
1 1 1 -7  19  15 o 103.7687 43.01498 5.673629       5.113809  4.077050       4.116790  4.810959       64.42386 
1 1 1 -7  19  16 o 71.46776 34.25930 0.4016019E-01  4.846506  -0.5661828     3.994569  4.777252       53.98716 
1 1 1 -7  19  17 o 64.58262 31.69278 1.610589       4.966459  -3.413638      3.920832  15.37161       51.13887 
1 1 1 -7  19  18 o 67.24588 32.62268 -3.298779      4.803796  1.902978       3.848165  -9.731491      50.41782 
1 1 1 -7  19  19 o 71.08913 34.06247 -3.089057      4.738661  4.625777       3.962102  -18.06388      51.32662 
1 1 1 -7  20  1  o 122.8360 51.69187 1.396039       6.486128  7.157006       6.930869  -25.66827      81.33195 
1 1 1 -7  20  2  o 187.1292 57.48714 9.841408       6.848240  15.51647       7.893705  -27.42419      94.54638 
1 1 1 -7  20  3  o 84.08495 40.60719 -4.455788      6.167852  -2.746149      6.648481  -7.483055      67.61813 
1 1 1 -7  20  4  o 117.0317 50.44014 -0.1748410     6.313159  8.070770       7.046622  -34.86788      79.81269 
1 1 1 -7  20  5  o 128.6298 54.97832 4.388219       7.190104  7.095845       8.538370  -10.14024      84.61794 
1 1 1 -7  20  6  o 133.3971 53.61790 3.311557       6.675794  9.688540       6.901111  -28.13573      82.61681 
1 1 1 -7  20  7  o 106.5079 47.76014 4.294314       6.780066  0.6651921      6.311093  13.70637       74.81551 
1 1 1 -7  20  8  o 106.7311 47.66717 6.774146       7.048985  -0.3370828     5.961397  27.27515       75.29533 
1 1 1 -7  20  9  o 86.69745 40.21714 0.6866642      6.198977  -0.5610703     4.523533  12.41589       65.42525 
1 1 1 -7  20  10 o 88.80565 39.43173 2.842809       4.357110  -0.3722038     4.322699  15.15009       62.72087 
1 1 1 -7  20  11 o 81.37152 37.75570 -0.2721359     4.696488  0.4594007      4.432286  -1.411530      60.19360 
1 1 1 -7  20  12 o 77.20444 36.44130 -5.387880      4.930789  3.437699       4.265392  -25.78663      58.49454 
1 1 1 -7  20  13 o 71.68838 34.46255 -2.961928      4.627389  0.6180707      4.350175  -9.081055      55.19491 
1 1 1 -7  20  14 o 62.78581 30.87437 -5.476955      4.373899  0.2697592E-01  4.042522  -11.91427      50.46856 
1 1 1 -7  20  15 o 83.76170 38.28369 1.984257       4.719411  2.422697       4.212366  -0.9822235     57.89171 
1 1 1 -7  20  16 f 84.50122 38.59829 0.5118108      4.836579  5.110789       4.239672  -14.71041      57.06061 
1 1 1 -7  20  17 o 69.20935 33.64627 1.145742       4.932549  -0.3847155     4.296935  4.596565       51.41386 
1 1 1 -7  20  18 o 60.47199 30.22059 -3.454690      5.153516  -0.9830094     4.330851  -1.715065      47.04203 
1 1 1 -7  21  1  o 99.08466 45.01072 1.173795       4.902181  0.2912990      8.612436  -10.97040      73.12386 
1 1 1 -7  21  2  o 134.9946 56.45916 5.941682       6.453534  9.542576       11.23602  -8.714691      87.38475 
1 1 1 -7  21  3  f 120.9615 53.72715 1.765412       6.553276  12.55377       11.56646  -31.28582      86.09982 
1 1 1 -7  21  4  o 129.7723 55.97095 12.65528       6.894098  -8.996518      10.71524  57.25720       83.03864 
1 1 1 -7  21  5  o 104.2750 49.18395 4.388217       6.614881  -12.31597      12.60475  14.79607       76.35496 
1 1 1 -7  21  6  o 90.47613 43.84027 -0.7864049     6.244541  -7.133268      10.61568  -3.484245      70.67033 
1 1 1 -7  21  7  o 93.46466 44.63340 -0.1520301     6.239376  -1.266726      8.986034  -5.539200      70.75339 
1 1 1 -7  21  8  o 79.50153 38.73831 -3.445832      5.003528  -1.025841      8.911042  -19.92649      64.96925 
1 1 1 -7  21  9  o 85.18811 39.71579 -0.1863601     4.771871  1.225709       5.606889  -7.663544      62.90642 
1 1 1 -7  21  10 o 75.34412 36.25768 -4.651585      4.255697  5.903248       6.317429  -37.78827      62.28372 
1 1 1 -7  21  11 o 71.98701 34.98735 -1.825106      4.313684  -1.656272      5.973364  -7.598488      56.57819 
1 1 1 -7  21  12 o 86.84640 41.48652 -2.110106      6.875542  4.776974       5.805133  -13.35983      62.46396 
1 1 1 -7  21  13 o 86.40014 41.58881 5.404141       6.745276  -0.2771016     6.421029  10.91283       61.96362 
1 1 1 -7  21  14 o 92.49069 43.14732 5.711077       6.403411  3.401056       5.802648  4.796524       62.61386 
1 1 1 -7  21  15 o 75.44794 37.04064 6.086011       6.416139  -2.592463      5.597147  14.85351       55.90541 
1 1 1 -7  21  16 o 74.65667 36.77619 1.394337       6.272799  1.702917       5.837898  -0.2489624     54.17754 
1 1 1 -7  21  17 o 74.71587 36.99626 5.129366       7.048692  1.487278       5.903268  4.259560       53.26087 
1 1 1 -7  22  1  o 73.82266 35.62353 -1.378339      4.512529  -3.944165      5.403105  1.655907       58.65343 
1 1 1 -7  22  2  o 88.10526 40.32926 1.427715       4.600177  -0.3502037     5.410595  3.074974       63.95405 
1 1 1 -7  22  3  o 135.4326 49.41730 6.645960       4.792315  7.823930       6.304336  -0.6952362     76.76772 
1 1 1 -7  22  4  o 133.8647 49.65454 10.15245       4.939194  2.192073       6.261861  44.91631       74.56977 
1 1 1 -7  22  5  o 84.67233 39.52184 1.626938       4.681488  -1.963149      5.691981  7.338615       62.56514 
1 1 1 -7  22  6  o 83.78683 39.39642 -0.4514745E-01 4.612443  0.2645821      6.223695  -6.841423      62.68992 
1 1 1 -7  22  7  o 69.60716 34.31226 -4.926641      4.740965  -1.703470      6.092386  -14.06125      57.13860 
1 1 1 -7  22  8  o 85.49324 39.82144 0.6835734      4.803233  1.657535       5.578766  -5.009750      61.89309 
1 1 1 -7  22  9  o 71.69629 35.14727 -1.651035      5.053894  -3.003619      5.608710  0.6651382      56.22367 
1 1 1 -7  22  10 f 80.49622 39.02944 1.802698       6.881629  -0.8729173     5.473163  7.935661       60.23398 
1 1 1 -7  22  11 o 78.44084 39.02545 -6.416191      6.453030  8.598889       9.142097  -22.73248      61.70604 
1 1 1 -7  22  12 f 68.60255 34.39448 -0.3037618     6.433664  -7.381433      6.184003  10.74422       54.78221 
1 1 1 -7  22  13 o 66.74414 33.58202 -2.513019      6.512281  -4.482892      6.083286  3.505608       52.48385 
1 1 1 -7  22  14 o 73.71049 36.53953 10.46933       6.963474  -5.866496      5.810113  24.01486       56.28826 
1 1 1 -7  22  15 o 65.99702 33.22384 -1.830085      6.306850  -1.992353      6.093330  0.5213928      50.55722 
1 1 1 -7  22  16 o 82.20791 40.03714 10.16967       6.864552  3.220416       6.306602  8.494019       55.41538 
1 1 1 -7  23  1  o 71.24210 34.61986 -2.786219      4.532326  -2.334509      5.213306  -5.318367      56.94943 
1 1 1 -7  23  2  o 75.99268 36.43957 -1.529028      4.536004  -1.207647      5.476170  -5.677254      58.98931 
1 1 1 -7  23  3  o 103.3583 44.73657 0.5557010      4.980155  8.002671       5.629012  -30.38502      69.00733 
1 1 1 -7  23  4  f 72.54578 35.56422 -4.164437      4.543895  0.5627690      7.212577  -20.77263      59.58462 
1 1 1 -7  23  5  o 111.6788 46.74277 3.474916       4.851341  8.957250       6.283825  -18.60163      70.58903 
1 1 1 -7  23  6  o 94.20585 42.39912 2.540518       4.714076  3.739826       5.880214  -4.742699      64.33041 
1 1 1 -7  23  7  o 78.01377 37.51125 0.5020142      4.841195  -1.578693      5.967776  1.584854       58.64697 
1 1 1 -7  23  8  o 105.7552 45.57011 5.461469       4.878090  5.291691       6.210965  3.199181       66.84386 
1 1 1 -7  23  9  o 95.14972 42.62807 4.528831       4.642571  3.015114       5.996479  5.520378       62.97847 
1 1 1 -7  23  10 o 69.86936 34.14543 -1.703106      4.473027  -0.1448149     5.466735  -6.505531      53.76450 
1 1 1 -7  23  11 o 83.39983 38.86428 -0.1362822     4.557283  7.365687       5.365468  -20.21577      58.33364 
1 1 1 -7  23  12 o 64.10202 31.71515 -5.840813      4.424896  3.933049       4.958530  -21.13096      51.04006 
1 1 1 -7  23  13 o 77.44473 37.85242 4.723710       4.765773  -5.466492      9.483952  10.51804       54.93781 
1 1 1 -7  23  14 o 61.18554 30.49940 -2.052467      4.723109  -0.8870596     4.571576  -1.583481      47.09441 
1 1 1 -7  23  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  24  1  o 105.1254 45.43876 3.757882       5.174625  5.927001       5.719918  -7.440025      67.81210 
1 1 1 -7  24  2  o 100.7815 43.95378 2.502439       4.796292  6.536973       5.654437  -14.31752      66.19930 
1 1 1 -7  24  3  o 84.17573 39.34502 0.9709896      4.798762  2.120028       5.458032  -4.590927      60.35916 
1 1 1 -7  24  4  o 78.98666 37.77112 -2.472279      4.929297  4.146437       5.589798  -18.49629      59.21905 
1 1 1 -7  24  5  o 82.61172 38.90578 1.797859       4.629915  1.245486       5.888379  -0.4047775     59.14204 
1 1 1 -7  24  6  o 80.31951 38.40437 0.5342245      4.812995  2.372568       6.279197  -6.198792      58.54268 
1 1 1 -7  24  7  o 85.59206 39.93119 4.196482       4.681289  0.6071423      5.968693  8.810349       59.17727 
1 1 1 -7  24  8  o 77.07520 37.21187 2.325747       4.838909  -0.9688897     6.099549  5.068031       56.13605 
1 1 1 -7  24  9  o 72.11556 35.29518 -2.220234      4.715485  3.623307       6.138715  -13.48188      54.72462 
1 1 1 -7  24  10 o 64.70747 32.27253 -3.110573      4.765674  -0.9337008     5.867428  -6.394089      50.65481 
1 1 1 -7  24  11 o 66.09444 32.92891 -1.331168      5.052827  -1.066009      5.792728  -1.827820      50.45758 
1 1 1 -7  24  12 o 67.37921 33.15363 2.044323       4.549060  -1.779385      5.259168  5.879593       49.85946 
1 1 1 -7  24  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  25  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -7  25  3  o 78.75910 37.76456 0.2830652      5.021694  1.578012       5.641901  -4.128746      57.67542 
1 1 1 -7  25  4  o 85.89879 40.38747 0.9531468      5.236634  5.211439       5.822790  -10.55875      60.12683 
1 1 1 -7  25  5  o 81.42847 38.63435 2.708404       4.967801  1.427315       5.597951  2.637566       57.60281 
1 1 1 -7  25  6  f 68.41402 33.72071 0.3147786      4.766992  -3.145116      5.529746  4.478447       52.35435 
1 1 1 -7  25  7  o 82.15768 39.22239 3.604371       4.731339  1.915967       7.185807  3.410034       57.20030 
1 1 1 -7  25  8  o 75.71184 38.46764 0.000000       0.000000  0.3176426      6.771548  ?              ?        
1 1 1 -7  25  9  o 76.70922 39.71834 0.000000       0.000000  2.096076       12.55725  ?              ?        
1 1 1 -6  -24 1  o 116.7240 56.87129 1.788651       15.71304  -0.4549649     11.72713  7.243843       87.20219 
1 1 1 -6  -24 2  o 120.8507 58.28963 0.8114707      15.18512  4.063877       11.65692  -1.474319      87.84182 
1 1 1 -6  -23 1  o 122.9683 61.67464 -7.871768      14.40172  0.000000       0.000000  ?              ?        
1 1 1 -6  -23 2  o 114.5775 58.02913 -13.28107      14.60230  0.000000       0.000000  ?              ?        
1 1 1 -6  -23 3  o 147.8643 71.94870 13.32668       14.90542  0.000000       0.000000  ?              ?        
1 1 1 -6  -23 4  o 110.5949 54.80869 -5.099646      10.01160  0.000000       0.000000  ?              ?        
1 1 1 -6  -22 1  o 112.4589 55.73772 1.733543       14.51949  -20.14015      14.79554  25.19695       90.66978 
1 1 1 -6  -22 2  o 140.8657 66.23151 6.864491       14.62460  4.345101       14.99924  3.748489       99.77010 
1 1 1 -6  -22 3  o 129.8479 60.89648 12.54744       10.93955  -15.37760      14.60345  43.80328       94.38655 
1 1 1 -6  -22 4  o 160.7305 65.22483 12.28503       10.30449  9.591787       9.999838  8.326126       98.03469 
1 1 1 -6  -22 5  o 117.3787 55.25041 -0.7162841     10.40694  2.792135       10.30623  -7.128845      86.24995 
1 1 1 -6  -21 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -21 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -21 3  o 153.1314 66.64499 8.531375       10.30089  7.010155       14.36776  2.075729       101.6953 
1 1 1 -6  -21 4  o 138.4911 60.59248 -2.055279      10.13335  11.93373       9.679009  -41.68931      94.17123 
1 1 1 -6  -21 5  o 166.1247 72.16453 0.000000       0.000000  12.84335       9.777435  ?              ?        
1 1 1 -6  -21 6  o 96.57994 47.17749 -3.583959      8.863339  -8.429474      9.843713  4.713219       77.63858 
1 1 1 -6  -21 7  o 123.4468 59.35378 4.898887       11.80863  -7.976451      15.57644  12.39432       91.83557 
1 1 1 -6  -20 1  f 157.1571 70.90421 15.85778       15.10342  -4.166167      14.23238  46.48537       111.6622 
1 1 1 -6  -20 2  o 137.6489 66.01971 -6.730493      17.14213  -0.8288317     15.46126  -4.911987      105.4862 
1 1 1 -6  -20 3  o 129.6759 61.68639 -2.604296      13.42148  -1.964588      13.72464  -2.049225      98.81043 
1 1 1 -6  -20 4  o 173.0277 73.87665 9.358433       13.80563  13.86818       14.23955  -11.20660      111.5974 
1 1 1 -6  -20 5  o 96.19264 48.42099 -11.77725      13.15870  -23.35354      13.14103  12.82686       82.07167 
1 1 1 -6  -20 6  o 137.6905 62.91579 -2.525916      11.30005  11.94590       12.83161  -35.82111      99.04804 
1 1 1 -6  -20 7  o 135.1704 64.43989 0.000000       0.000000  2.456468       10.58828  ?              ?        
1 1 1 -6  -20 8  o 116.1819 54.08962 -2.072486      8.708279  4.653854       10.49975  -21.39403      86.49329 
1 1 1 -6  -19 1  o 581.3752 36.69188 80.73235       13.28731  80.51481       13.04606  -1.085938      77.49854 
1 1 1 -6  -19 2  f 149.8239 64.00926 7.600682       10.30211  0.6963275      10.78408  22.33768       101.9743 
1 1 1 -6  -19 3  o 167.1323 80.29508 2.427456       17.14456  0.000000       0.000000  ?              ?        
1 1 1 -6  -19 4  f 221.4011 96.75925 26.41984       17.80473  0.000000       0.000000  ?              ?        
1 1 1 -6  -19 5  f 179.2028 80.83148 12.59707       13.45241  0.000000       0.000000  ?              ?        
1 1 1 -6  -19 6  o 142.1511 64.84189 15.79649       12.61116  -8.172771      12.72479  55.30884       102.3859 
1 1 1 -6  -19 7  o 132.2943 63.15372 0.000000       0.000000  -0.8072849     10.24150  ?              ?        
1 1 1 -6  -19 8  o 154.9415 68.54193 8.871187       9.187410  0.000000       0.000000  ?              ?        
1 1 1 -6  -19 9  f 143.0087 60.07823 14.52171       9.635778  0.2568492      8.513396  52.29772       94.32073 
1 1 1 -6  -18 1  o 338.4648 54.29120 29.34451       10.82578  28.61939       11.21143  7.710175       112.8123 
1 1 1 -6  -18 2  o 539.3588 34.97242 56.72189       11.46416  80.48934       11.81964  -103.1251      74.38662 
1 1 1 -6  -18 3  o 152.2570 65.48701 5.305956       10.06222  0.8654338      12.73262  4.632599       105.3168 
1 1 1 -6  -18 4  o 174.0941 69.60060 14.81275       9.821006  -3.443321      13.99989  54.40369       107.0589 
1 1 1 -6  -18 5  f 177.8445 72.44751 8.934141       11.55394  10.42320       13.93274  -7.032013      113.5776 
1 1 1 -6  -18 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -18 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -18 8  o 206.1599 76.88136 17.49915       9.320476  0.000000       0.000000  ?              ?        
1 1 1 -6  -18 9  o 118.6687 54.27057 7.974657       9.478621  -4.588595      8.498803  40.06940       88.01150 
1 1 1 -6  -18 10 o 131.3271 56.61083 -0.9586666     8.648890  8.883709       8.132860  -33.91600      88.64775 
1 1 1 -6  -17 1  o 183.5977 65.68013 10.16768       9.403486  5.746262       9.542906  23.34448       107.3008 
1 1 1 -6  -17 2  o 160.5352 64.05459 5.566926       9.583947  4.080030       9.639284  6.535507       104.1711 
1 1 1 -6  -17 3  o 138.2154 59.69130 -0.5038380     8.903741  3.895090       9.870051  -22.72943      98.23790 
1 1 1 -6  -17 4  o 407.0242 41.15238 36.03535       9.591974  45.20548       11.05963  -42.43124      88.76208 
1 1 1 -6  -17 5  o 313.7946 52.01334 22.13249       8.113540  35.55799       13.17492  -41.45990      113.1519 
1 1 1 -6  -17 6  o 227.0757 53.71962 10.12445       6.804873  20.11110       8.316065  -67.78412      97.63441 
1 1 1 -6  -17 7  o 133.4135 55.34745 5.929729       9.176956  2.295167       6.519891  26.56644       90.87798 
1 1 1 -6  -17 8  o 134.0912 59.79506 9.255971       9.883164  -4.931399      10.30869  41.78127       95.47976 
1 1 1 -6  -17 9  o 169.8369 66.78973 6.745529       10.03113  13.24930       10.61200  -24.87375      103.9291 
1 1 1 -6  -17 10 o 96.42336 44.79818 -3.529325      6.119089  1.196334       6.841479  -20.93516      74.44346 
1 1 1 -6  -17 11 o 127.1892 52.40084 3.215867       7.047687  4.706293       6.354595  -4.909409      82.95631 
1 1 1 -6  -16 1  x ?        ?        -53.10629      10.24458  -60.29422      10.11371  ?              ?        
1 1 1 -6  -16 2  o 201.2519 65.02587 12.36784       9.108595  7.510568       9.396948  28.52817       107.9470 
1 1 1 -6  -16 3  o 297.4684 52.92698 17.54870       9.091948  26.55999       9.760391  -62.18672      104.5654 
1 1 1 -6  -16 4  o 230.5310 54.27048 12.56545       6.545524  15.49693       9.533645  -16.34709      101.5129 
1 1 1 -6  -16 5  o 372.1489 35.72301 31.00855       6.467217  38.42385       12.66541  0.5310669      92.35297 
1 1 1 -6  -16 6  o 322.6011 32.76801 21.53845       6.157650  28.12364       6.827079  -44.02872      69.52303 
1 1 1 -6  -16 7  f 95.44569 43.72109 -4.925201      5.621905  2.367147       6.083971  -34.74693      74.11385 
1 1 1 -6  -16 8  o 156.3591 51.73708 6.261603       5.816971  6.907134       5.861536  -4.738724      85.34054 
1 1 1 -6  -16 9  o 123.4433 48.19776 5.421452       5.488715  1.668616       5.195889  24.81823       77.89919 
1 1 1 -6  -16 10 o 145.1936 53.67076 6.935083       7.846298  5.436153       5.536452  12.11220       87.43549 
1 1 1 -6  -16 11 o 125.4601 55.19696 -0.1030954     7.734984  6.539143       9.055380  -27.37330      88.56538 
1 1 1 -6  -16 12 o 135.4291 50.04016 8.381715       5.565501  2.016234       5.554857  40.29575       79.64113 
1 1 1 -6  -15 1  o 411.8230 37.05602 36.60520       9.267754  40.79720       9.465972  -23.42249      76.86474 
1 1 1 -6  -15 2  o 488.4574 31.79120 54.38689       9.539246  53.00768       9.622101  6.818390       64.89754 
1 1 1 -6  -15 3  x ?        ?        -47.35348      9.534232  -38.34451      9.085193  ?              ?        
1 1 1 -6  -15 4  o 831.4656 24.66926 155.0112       12.50246  154.1990       12.92766  3.368530       49.93082 
1 1 1 -6  -15 5  o 248.8466 56.12136 15.24394       8.207768  16.12659       8.728087  -5.358368      103.9816 
1 1 1 -6  -15 6  o 455.9569 36.69800 45.98108       9.952019  51.81660       10.66948  -26.08414      77.08748 
1 1 1 -6  -15 7  o 153.0951 59.93178 3.094612       8.384950  7.119738       8.157085  -19.10602      96.74442 
1 1 1 -6  -15 8  o 210.3139 56.64789 2.324954       7.604413  22.06857       7.505877  -135.0463      88.94888 
1 1 1 -6  -15 9  o 275.2289 45.09453 24.49900       7.908329  15.35665       7.033558  65.89719       92.31155 
1 1 1 -6  -15 10 f 118.9531 48.46859 2.997068       5.974821  2.484334       5.340658  6.383720       78.51049 
1 1 1 -6  -15 11 o 109.5243 46.39608 -1.643777      5.529490  4.974168       5.381248  -33.66068      74.96708 
1 1 1 -6  -15 12 o 186.8430 54.71379 12.98821       9.906815  9.971541       5.442784  1.869659       95.41888 
1 1 1 -6  -15 13 o 118.5936 54.56720 2.283387       9.635268  -0.7434694     8.881624  10.86405       87.24725 
1 1 1 -6  -14 1  o 587.4225 24.74472 71.15297       9.017034  82.53759       8.976192  -44.83423      50.18498 
1 1 1 -6  -14 2  o 134.6168 55.08416 2.046575       7.588251  2.009761       7.062263  4.390869       91.06374 
1 1 1 -6  -14 3  o 422.8717 33.26324 38.03343       8.648887  42.70545       8.661697  -25.92474      68.42137 
1 1 1 -6  -14 4  o 447.5749 33.17424 38.60743       9.196275  51.78123       9.094602  -69.68704      69.22516 
1 1 1 -6  -14 5  o 792.9894 23.12165 139.1002       11.21325  141.2262       11.51593  -5.484131      46.68406 
1 1 1 -6  -14 6  o 143.0896 53.68224 4.002002       6.588225  4.231867       6.312943  0.3027344      88.05463 
1 1 1 -6  -14 7  o 129.3858 49.62222 9.865203       5.941061  -2.038933      5.280291  84.65879       79.50893 
1 1 1 -6  -14 8  o 277.3826 36.11157 12.53156       5.929316  24.61032       6.213045  -100.4263      76.14765 
1 1 1 -6  -14 9  o 177.5934 52.57832 6.962132       5.790488  10.62366       6.714044  -27.67479      89.55035 
1 1 1 -6  -14 10 o 277.0895 39.41573 20.43478       6.367782  17.34301       6.824061  30.74387       83.86162 
1 1 1 -6  -14 11 f 154.6856 53.55887 8.418675       6.050431  4.648624       6.496307  23.90541       86.68816 
1 1 1 -6  -14 12 o 82.23978 39.21534 1.400426       5.487569  -8.730347      5.619183  34.01980       67.58828 
1 1 1 -6  -14 13 o 142.9843 52.51963 5.324487       5.857023  6.605158       6.398051  -8.377502      84.28288 
1 1 1 -6  -14 14 o 103.5156 46.57808 1.037069       6.034579  -0.4122383     6.542611  2.741837       75.52605 
1 1 1 -6  -13 1  o 436.0050 27.47377 41.02801       7.498550  43.75149       7.291508  -14.95129      55.89867 
1 1 1 -6  -13 2  o 163.0854 55.37450 9.076210       6.880882  3.060300       6.504333  44.35995       91.26135 
1 1 1 -6  -13 3  o 864.7444 30.85238 167.7484       11.68372  0.000000       0.000000  ?              ?        
1 1 1 -6  -13 4  o 548.6193 25.28745 62.62712       8.377376  71.89079       8.803854  -38.07446      51.13693 
1 1 1 -6  -13 5  o 338.1222 35.09618 24.02351       7.375955  27.82593       7.138415  -27.62848      73.37712 
1 1 1 -6  -13 6  o 131.5964 49.38853 5.002651       5.665475  1.710985       5.270509  26.18628       81.31509 
1 1 1 -6  -13 7  o 111.2559 46.15921 0.2156518      5.235501  2.047865       5.221982  -10.98526      76.34184 
1 1 1 -6  -13 8  f 101.6334 44.64211 -6.573824      5.575410  5.246067       5.278012  -58.50984      73.89252 
1 1 1 -6  -13 9  o 182.9699 58.83610 8.874694       5.358664  0.000000       0.000000  ?              ?        
1 1 1 -6  -13 10 o 101.7381 44.57555 -1.456105      5.403461  1.738981       5.344688  -15.58057      73.68878 
1 1 1 -6  -13 11 f 122.7836 48.01744 1.219197       5.265645  5.086325       5.342026  -25.02281      77.82421 
1 1 1 -6  -13 12 o 266.8894 39.17633 13.83222       6.305526  22.06561       6.280479  -71.90633      82.26471 
1 1 1 -6  -13 13 o 111.4700 48.26855 -0.3149768     5.877670  3.487485       6.454899  -20.92255      78.64240 
1 1 1 -6  -13 14 o 208.5621 52.27649 13.96069       6.393507  11.35657       7.172238  24.93565       92.89082 
1 1 1 -6  -13 15 o 138.3539 53.17023 5.156621       6.043599  6.032487       6.870012  -5.971359      84.59639 
1 1 1 -6  -12 1  o 118.7047 48.97562 -0.8578065     5.882927  3.096579       5.800801  -22.57346      81.18561 
1 1 1 -6  -12 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -12 3  o 430.2566 26.82317 43.96541       7.364893  38.97935       6.904232  25.84232       54.44582 
1 1 1 -6  -12 4  o 664.9863 29.64794 0.000000       0.000000  99.03403       8.626115  ?              ?        
1 1 1 -6  -12 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -12 6  o 231.5451 41.54380 16.83139       5.889044  8.574010       5.616230  75.06575       79.75828 
1 1 1 -6  -12 7  o 692.8672 21.42274 108.6942       9.285731  104.6980       9.109652  12.91125       43.18365 
1 1 1 -6  -12 8  o 501.8229 34.39078 0.000000       0.000000  57.64584       7.524202  ?              ?        
1 1 1 -6  -12 9  o 337.1020 41.74316 27.10416       6.040543  0.000000       0.000000  ?              ?        
1 1 1 -6  -12 10 o 129.3093 48.41469 -0.9804395     5.205899  8.206231       5.270022  -64.40443      77.23817 
1 1 1 -6  -12 11 o 115.6387 47.45601 6.479705       5.539745  -2.079972      5.357448  51.69611       77.04367 
1 1 1 -6  -12 12 o 99.47573 45.08299 -0.1817115     5.535564  -2.039037      6.609210  -1.042786      75.04995 
1 1 1 -6  -12 13 o 118.1569 48.84393 -2.244081      5.763531  7.567324       5.888943  -53.71585      78.59988 
1 1 1 -6  -12 14 o 171.7246 50.95911 10.67977       5.764336  6.105817       5.876773  35.24593       85.27945 
1 1 1 -6  -12 15 o 113.1263 47.43017 8.761896       5.839508  -3.097316      5.398905  65.62583       76.59055 
1 1 1 -6  -11 1  o 372.9772 26.96585 32.88966       6.476277  29.55468       5.950711  19.55301       54.93144 
1 1 1 -6  -11 2  o 341.5641 28.61939 26.62546       6.257998  25.64503       5.786026  5.583160       58.64250 
1 1 1 -6  -11 3  o 476.1042 29.44635 50.59172       6.119335  0.000000       0.000000  ?              ?        
1 1 1 -6  -11 4  o 119.2117 45.22365 2.265070       4.560701  2.534544       4.647784  -2.898651      74.69525 
1 1 1 -6  -11 5  o 156.0094 46.14885 8.704918       4.896669  2.941321       4.669477  53.56854       77.02137 
1 1 1 -6  -11 6  o 497.8615 22.13381 55.78961       6.794935  54.22706       6.842476  7.314087       44.67014 
1 1 1 -6  -11 7  o 117.9232 51.56587 -0.6043953     5.063163  0.000000       0.000000  ?              ?        
1 1 1 -6  -11 8  o 538.9446 32.20153 0.000000       0.000000  65.66453       7.577693  ?              ?        
1 1 1 -6  -11 9  o 498.2232 23.70007 63.00047       7.251016  47.97581       7.357548  70.42252       48.71862 
1 1 1 -6  -11 10 o 246.4920 41.69807 14.57137       5.670479  14.76471       6.772648  3.675842       84.64130 
1 1 1 -6  -11 11 o 351.0198 32.89653 28.53473       6.444118  29.44236       7.949826  5.038544       71.37834 
1 1 1 -6  -11 12 o 104.0796 46.19541 -3.670959      5.452229  4.875256       6.615994  -49.63575      78.38857 
1 1 1 -6  -11 13 o 283.7800 36.49767 22.15042       5.768681  16.28118       6.946748  61.57582       80.54967 
1 1 1 -6  -11 14 o 116.5583 46.78816 3.205856       4.877412  2.321514       5.497884  1.878632       75.56774 
1 1 1 -6  -11 15 o 331.7400 31.12350 28.36685       6.079495  24.82132       6.614161  33.22818       68.62500 
1 1 1 -6  -11 16 o 102.1902 44.23877 3.650335       5.107964  -1.337262      5.213598  24.37571       71.67102 
1 1 1 -6  -10 1  f 197.0703 42.53004 8.892750       5.005795  9.595106       5.088168  -6.884186      79.30600 
1 1 1 -6  -10 2  o 482.9937 28.04065 0.000000       0.000000  52.12790       5.915064  ?              ?        
1 1 1 -6  -10 3  o 413.8012 20.34649 30.67475       4.844138  47.76738       5.665161  -92.82788      41.12779 
1 1 1 -6  -10 4  o 944.1415 26.62691 197.8280       11.01603  0.000000       0.000000  ?              ?        
1 1 1 -6  -10 5  o 165.0575 42.15799 6.337703       4.144755  6.462155       4.545702  -2.577316      74.78922 
1 1 1 -6  -10 6  o 348.8531 23.97287 22.54135       4.926440  32.70002       5.421451  -66.21219      49.00158 
1 1 1 -6  -10 7  o 374.1452 25.11838 29.90751       5.650899  32.68847       5.952769  -16.56180      51.03062 
1 1 1 -6  -10 8  o 512.1473 25.84563 69.50272       9.571744  52.10249       7.265840  72.39462       52.78000 
1 1 1 -6  -10 9  o 354.9705 27.85447 28.76831       5.937637  27.95860       6.242474  6.368286       57.24024 
1 1 1 -6  -10 10 o 245.5891 37.78531 11.11865       5.213166  18.23213       6.017191  -61.85701      76.44524 
1 1 1 -6  -10 11 o 518.1719 22.65662 55.56343       6.792984  66.85524       7.851355  -46.30573      46.10294 
1 1 1 -6  -10 12 o 205.1042 42.62878 10.65002       5.041656  10.44651       5.478405  3.794281       81.19216 
1 1 1 -6  -10 13 o 279.3513 31.20811 16.44555       5.058308  20.90741       5.616827  -33.78140      66.31261 
1 1 1 -6  -10 14 o 231.2877 37.49296 13.49030       4.850909  13.13849       5.625018  10.40948       77.68182 
1 1 1 -6  -10 15 o 223.4691 42.12499 14.17275       5.432792  11.87745       5.839959  25.00063       83.32111 
1 1 1 -6  -10 16 o 90.39969 40.80371 2.514910       4.712467  -3.610734      5.016827  25.80016       67.24700 
1 1 1 -6  -10 17 o 146.9354 47.55341 5.816934       4.671337  6.876930       5.273988  -7.743439      78.57417 
1 1 1 -6  -9  1  o 82.49271 37.94925 -2.705266      4.475975  -1.419198      4.451877  -6.065361      65.03990 
1 1 1 -6  -9  2  o 120.2503 47.90085 -0.3209653     5.250848  4.622813       5.489365  -34.32936      78.78572 
1 1 1 -6  -9  3  o 210.5163 39.39147 7.884792       4.636279  13.56780       5.350022  -55.51814      75.48808 
1 1 1 -6  -9  4  o 154.9006 42.92367 7.517942       4.065426  3.212559       4.501401  40.11215       72.84694 
1 1 1 -6  -9  5  o 118.1390 43.64060 1.489163       4.265995  3.532393       4.191946  -16.05775      71.95227 
1 1 1 -6  -9  6  o 98.40691 42.06949 -3.024777      4.407119  3.572342       4.721009  -45.77839      70.52540 
1 1 1 -6  -9  7  o 349.5822 24.89404 29.71665       5.367872  24.86193       5.358194  32.33749       50.90924 
1 1 1 -6  -9  8  o 409.5750 25.18262 33.03864       6.237645  42.11475       6.505092  -50.76099      51.27802 
1 1 1 -6  -9  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -9  10 o 200.5515 41.35392 8.156281       4.936196  11.00507       5.012103  -28.20628      77.82948 
1 1 1 -6  -9  11 f 248.4395 32.11050 14.67019       4.836366  13.88213       4.829622  7.477875       66.89349 
1 1 1 -6  -9  12 o 313.7550 26.54014 21.48841       4.956844  23.62534       5.293906  -14.30685      54.97550 
1 1 1 -6  -9  13 o 182.9330 42.13769 12.33388       4.610104  4.383889       4.759649  76.72574       73.52161 
1 1 1 -6  -9  14 o 83.04703 37.72686 1.670763       4.158019  -4.083655      4.312942  27.96725       63.55309 
1 1 1 -6  -9  15 o 226.2474 34.80334 11.21367       4.578426  14.30628       4.893749  -28.35316      72.31820 
1 1 1 -6  -9  16 o 92.09135 40.51168 0.3370850      4.460298  0.1086329      4.498673  0.8830261      66.65694 
1 1 1 -6  -9  17 o 89.47324 39.88437 -2.114528      4.329553  2.463348       4.657694  -26.13880      66.06220 
1 1 1 -6  -8  1  o 631.8060 24.41642 81.75808       9.169189  98.47170       9.985612  -58.65094      49.46796 
1 1 1 -6  -8  2  o 518.3008 26.48496 58.37989       8.296488  62.77697       8.691317  -18.39542      53.90279 
1 1 1 -6  -8  3  o 297.0013 25.20265 20.09589       4.564771  19.56530       4.634898  4.440460       51.74176 
1 1 1 -6  -8  4  o 519.7285 23.82861 57.62822       7.503779  62.67048       7.830377  -21.74573      48.12549 
1 1 1 -6  -8  5  o 160.9843 44.64259 4.287070       5.145949  7.220778       4.218138  -23.08896      76.84810 
1 1 1 -6  -8  6  o 373.8592 20.76471 29.45164       4.580200  32.77639       5.047076  -19.73767      41.95777 
1 1 1 -6  -8  7  o 362.1276 22.11979 25.52559       4.723213  33.48765       5.201706  -49.73526      44.82081 
1 1 1 -6  -8  8  o 528.8068 18.35050 57.93174       5.804332  66.36400       6.240075  -35.88058      36.91586 
1 1 1 -6  -8  9  o 155.8496 44.28348 9.098141       4.560687  2.490955       4.406970  63.68257       73.61345 
1 1 1 -6  -8  10 o 154.3639 55.53176 4.972612       4.795433  0.000000       0.000000  ?              ?        
1 1 1 -6  -8  11 o 380.4777 31.80950 0.000000       0.000000  32.97052       5.260150  ?              ?        
1 1 1 -6  -8  12 o 205.2603 36.37419 8.399107       4.334145  11.80362       4.601657  -34.83325      71.54550 
1 1 1 -6  -8  13 o 213.9054 34.06858 10.10146       4.239458  11.77452       4.511344  -16.13829      69.33131 
1 1 1 -6  -8  14 o 210.3932 35.99815 10.36682       4.414835  11.27797       4.653345  -7.964905      72.53716 
1 1 1 -6  -8  15 o 84.42007 38.34059 -1.053705      4.259334  -0.9693748     4.486918  -2.816818      64.30628 
1 1 1 -6  -8  16 o 201.5061 38.77449 9.698852       4.548591  11.31688       4.803495  -14.43889      76.11025 
1 1 1 -6  -8  17 o 180.4697 43.31114 8.414269       4.422430  9.567362       5.259136  -6.008804      79.16792 
1 1 1 -6  -8  18 o 220.6700 36.93438 14.15144       4.732627  10.97317       5.036075  35.52676       75.83829 
1 1 1 -6  -7  1  o 513.0558 15.12230 57.97775       4.830570  58.29340       4.784873  -1.479462      30.38908 
1 1 1 -6  -7  2  o 350.5099 17.83042 28.14905       3.948282  26.50066       3.785095  10.45868       36.02733 
1 1 1 -6  -7  3  o 334.8983 25.73293 22.93837       5.339418  27.57776       5.271068  -32.81662      53.15013 
1 1 1 -6  -7  4  o 458.2070 22.77718 48.24575       6.538789  45.48344       6.372009  13.52255       46.11253 
1 1 1 -6  -7  5  o 319.3620 25.78172 20.12094       4.903482  25.85406       5.241736  -41.01205      52.79150 
1 1 1 -6  -7  6  o 161.8078 42.98584 6.927597       4.437062  5.334011       4.339210  16.42642       75.16206 
1 1 1 -6  -7  7  o 253.3156 33.37497 0.000000       0.000000  14.55610       3.618249  ?              ?        
1 1 1 -6  -7  8  o 493.4125 16.55616 59.01999       5.217928  49.04937       4.916023  45.86563       33.28934 
1 1 1 -6  -7  9  o 206.8555 28.91131 9.769347       3.549659  9.678651       3.670613  1.389816       59.21097 
1 1 1 -6  -7  10 o 477.1625 20.42885 50.74857       5.253497  49.84904       7.308841  7.852936       43.73301 
1 1 1 -6  -7  11 o 95.93082 39.93122 0.7250425      3.733397  0.5113227      4.164151  -3.729111      66.52929 
1 1 1 -6  -7  12 o 420.8026 20.39852 39.49974       5.202004  39.49371       5.422488  0.6402893      41.32875 
1 1 1 -6  -7  13 o 80.29037 36.42249 -2.639788      3.796400  0.3245284      4.075287  -20.13045      62.17234 
1 1 1 -6  -7  14 o 249.4963 29.46659 14.52251       4.285572  14.67155       4.686433  1.689987       62.47755 
1 1 1 -6  -7  15 o 100.1137 41.32995 -0.8569886     4.102628  3.597744       4.226723  -31.02869      67.67101 
1 1 1 -6  -7  16 o 221.7844 35.16238 14.45452       4.607592  9.791266       4.748292  48.75836       72.12693 
1 1 1 -6  -7  17 o 157.5859 45.76703 14.21979       4.978240  0.8264112      4.528719  113.7207       70.79834 
1 1 1 -6  -7  18 o 123.4737 46.08480 3.305820       4.701423  4.847108       4.775723  -10.80608      74.13293 
1 1 1 -6  -7  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -6  1  o 226.5976 20.94939 11.39229       2.926559  11.52289       2.896444  -1.440079      42.91232 
1 1 1 -6  -6  2  o 175.2520 27.61563 5.364682       2.953764  8.582955       2.854579  -41.30855      55.37019 
1 1 1 -6  -6  3  o 272.8117 20.25707 16.05319       3.495159  17.14539       3.318985  -9.896362      41.45142 
1 1 1 -6  -6  4  o 372.1538 17.59275 30.81711       4.207759  30.70285       3.908521  0.5249023E-02  35.61932 
1 1 1 -6  -6  5  o 364.4384 25.93977 35.96209       6.108492  24.62473       5.579105  70.75479       53.29758 
1 1 1 -6  -6  6  o 78.28785 34.34195 0.6963185      2.863912  -2.469409      3.685651  8.708580       57.90308 
1 1 1 -6  -6  7  o 373.4975 23.10342 31.71924       5.262917  30.16012       5.392627  9.882294       46.81563 
1 1 1 -6  -6  8  o 601.0328 21.61053 79.94929       7.989872  79.96058       8.099255  0.1087646      43.50150 
1 1 1 -6  -6  9  o 184.5475 29.47590 6.798797       3.356990  8.663692       3.172604  -23.01706      59.16671 
1 1 1 -6  -6  10 o 276.8547 32.07418 17.37753       3.823035  0.000000       0.000000  ?              ?        
1 1 1 -6  -6  11 o 325.8244 21.74398 23.42340       4.311836  23.84313       4.429845  -2.718536      44.12309 
1 1 1 -6  -6  12 o 509.2909 17.08588 54.72728       5.282815  60.41201       5.504399  -25.19559      34.39718 
1 1 1 -6  -6  13 f 402.8591 18.73290 34.46343       4.554487  38.08532       4.791675  -20.05621      37.89701 
1 1 1 -6  -6  14 o 153.8371 49.40465 5.924783       3.779217  0.000000       0.000000  ?              ?        
1 1 1 -6  -6  15 o 188.4399 36.75880 10.23646       4.149133  7.317205       4.135887  31.63965       70.73502 
1 1 1 -6  -6  16 o 121.5211 43.14088 1.932797       4.053656  5.249610       4.105109  -27.70064      70.25125 
1 1 1 -6  -6  17 o 213.4764 35.66468 14.15271       4.587230  8.906348       4.526101  53.58148       71.97758 
1 1 1 -6  -6  18 o 70.93879 34.10881 -1.504148      4.395350  -5.375833      4.396123  14.26861       58.82187 
1 1 1 -6  -6  19 o 93.43365 40.80224 -2.510797      4.483387  4.008646       4.456817  -34.68652      66.47827 
1 1 1 -6  -5  1  o 713.7751 14.17504 116.4975       6.414727  108.0680       6.146416  26.75836       28.43682 
1 1 1 -6  -5  2  f 584.6799 13.92077 72.26746       4.933541  78.59827       5.172774  -24.49866      27.95603 
1 1 1 -6  -5  3  f 170.1574 28.28517 7.144042       2.836235  6.127866       2.927510  13.43959       56.31622 
1 1 1 -6  -5  4  o 221.5409 24.09499 9.588571       3.148270  12.82879       3.380084  -33.55486      50.00133 
1 1 1 -6  -5  5  o 116.7218 37.76490 2.106857       2.965129  4.259358       3.299810  -25.74281      63.14252 
1 1 1 -6  -5  6  o 224.7537 35.24142 9.658991       4.321733  14.67625       5.342932  -46.94814      70.98640 
1 1 1 -6  -5  7  o 128.5057 43.51706 3.455632       4.124808  3.560451       4.131521  -1.005295      72.44197 
1 1 1 -6  -5  8  o 307.5427 26.18081 20.88519       4.891797  21.35280       5.004549  -3.292053      53.50212 
1 1 1 -6  -5  9  o 115.3960 48.76129 0.000000       0.000000  0.5397661      4.242076  ?              ?        
1 1 1 -6  -5  10 o 149.6142 40.23586 5.026256       3.152787  5.894566       5.211377  -17.63118      73.32295 
1 1 1 -6  -5  11 o 301.9699 21.17217 21.41558       3.952401  19.15189       3.929302  17.35703       43.04121 
1 1 1 -6  -5  12 o 110.9818 39.33244 0.9275124E-01  3.389611  4.895531       3.389320  -45.64668      63.56384 
1 1 1 -6  -5  13 o 349.9732 19.27389 27.73388       4.179438  26.85845       4.156895  5.725220       39.03822 
1 1 1 -6  -5  14 o 371.3731 18.47435 28.75811       4.205678  32.95172       4.280473  -25.87970      37.49501 
1 1 1 -6  -5  15 o 181.3280 33.64841 6.110057       3.616436  9.840376       3.675297  -42.89421      65.08507 
1 1 1 -6  -5  16 o 199.5293 31.14590 8.657203       3.781040  10.38654       3.679266  -20.50764      63.87001 
1 1 1 -6  -5  17 o 249.6034 26.64757 13.64636       3.964490  15.90376       4.167534  -19.89189      56.69688 
1 1 1 -6  -5  18 o 80.58662 36.25344 0.5488744      3.671984  -1.617874      3.938306  8.975655       60.17841 
1 1 1 -6  -5  19 o 136.7721 42.60205 7.261770       3.964052  3.175872       4.040007  36.75603       70.05271 
1 1 1 -6  -5  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  -4  1  o 578.0377 12.85874 72.84350       4.596159  74.05943       4.625462  -4.787781      25.79227 
1 1 1 -6  -4  2  o 264.7001 16.56837 13.86440       2.651919  17.27494       2.765376  -29.53682      33.56999 
1 1 1 -6  -4  3  o 133.3614 30.83871 3.810366       2.513310  4.464533       2.487446  -8.985107      56.10548 
1 1 1 -6  -4  4  o 287.5266 24.08362 18.57423       3.009513  0.000000       0.000000  ?              ?        
1 1 1 -6  -4  5  o 495.1520 14.30749 56.13158       4.426498  52.32500       4.354351  17.49448       28.76623 
1 1 1 -6  -4  6  o 257.8049 19.62842 15.02826       3.062333  14.61058       3.171356  4.102676       40.03548 
1 1 1 -6  -4  7  o 363.0587 23.27422 29.36543       4.928366  29.29784       5.555960  1.772949       47.57993 
1 1 1 -6  -4  8  o 836.1441 22.93208 148.3600       11.59194  161.7493       12.19742  -35.92444      46.11966 
1 1 1 -6  -4  9  o 543.6290 22.63601 0.000000       0.000000  65.48952       5.385829  ?              ?        
1 1 1 -6  -4  10 o 341.2294 25.61811 25.82744       5.299043  26.24608       5.471161  -2.420288      52.23836 
1 1 1 -6  -4  11 o 358.5062 25.70879 29.44880       5.682165  28.01381       5.676619  9.311096       52.37361 
1 1 1 -6  -4  12 o 353.6089 20.22824 26.90861       4.263305  28.75657       4.592138  -11.39124      40.94085 
1 1 1 -6  -4  13 o 223.7477 25.63565 8.282154       3.371234  14.89171       3.631087  -68.43712      53.88592 
1 1 1 -6  -4  14 o 260.9549 22.82767 16.99525       3.675064  13.78603       3.641320  28.87781       47.31332 
1 1 1 -6  -4  15 o 111.7337 38.99417 5.235826       3.276530  0.1818412      3.370088  47.29255       62.54411 
1 1 1 -6  -4  16 o 68.34584 31.79874 -4.636158      3.175559  1.650283       3.368947  -38.08061      55.42363 
1 1 1 -6  -4  17 o 70.54011 32.33093 -1.919835      3.076664  -0.1943051     3.337676  -13.46163      55.01492 
1 1 1 -6  -4  18 o 235.0257 27.09542 13.38149       3.827327  13.07723       3.930855  4.367157       58.09150 
1 1 1 -6  -4  19 o 201.7579 32.21495 10.60864       3.842468  9.817458       3.952509  10.20882       66.82420 
1 1 1 -6  -4  20 o 150.4913 40.73118 3.739699       3.725242  9.504151       4.088890  -55.66885      69.29462 
1 1 1 -6  -3  1  o 320.2965 13.70271 23.12377       2.697159  22.04720       2.735759  7.748474       27.55131 
1 1 1 -6  -3  2  o 501.5139 12.88865 53.52616       3.930256  57.28690       4.086995  -17.01401      25.83976 
1 1 1 -6  -3  3  o 154.3840 26.06952 6.658560       2.412938  4.220636       2.402701  34.50793       51.20045 
1 1 1 -6  -3  4  o 100.8370 34.01330 1.743716       2.503198  2.598873       2.540979  -10.34768      56.58005 
1 1 1 -6  -3  5  o 356.7471 15.38537 27.55401       3.355780  28.84090       3.439241  -8.122986      30.99981 
1 1 1 -6  -3  6  o 416.5567 14.86976 39.28011       3.766471  37.42937       3.909872  10.48267       29.98229 
1 1 1 -6  -3  7  o 224.4402 21.11840 11.60140       2.788127  10.86522       3.039418  8.542801       43.70750 
1 1 1 -6  -3  8  f 314.2692 17.34749 18.39913       3.207989  26.06738       3.556345  -55.38812      35.10318 
1 1 1 -6  -3  9  o 385.6024 33.42231 0.000000       0.000000  33.43505       5.597214  ?              ?        
1 1 1 -6  -3  10 o 146.7003 37.86560 4.425186       3.029830  6.182980       4.179425  -24.12834      68.12333 
1 1 1 -6  -3  11 o 125.5899 43.24989 0.6287488      3.974185  6.373276       4.196813  -53.13781      70.24267 
1 1 1 -6  -3  12 o 606.8278 22.11596 80.51193       8.183517  82.98383       8.444919  -8.912720      44.58109 
1 1 1 -6  -3  13 o 309.9514 20.31102 20.76637       3.779185  22.10664       3.997327  -9.462433      41.22731 
1 1 1 -6  -3  14 o 567.1685 16.08820 76.19662       5.700963  66.55830       5.609221  38.81958       32.42978 
1 1 1 -6  -3  15 o 399.1089 17.50943 36.37077       4.274139  34.70543       4.376385  9.985321       35.47742 
1 1 1 -6  -3  16 f 100.3035 38.34020 3.779208       3.351347  0.1698600      3.298561  31.48285       62.32071 
1 1 1 -6  -3  17 o 416.5847 18.05813 41.00089       4.642608  37.28930       4.668354  20.84229       36.81279 
1 1 1 -6  -3  18 o 190.0631 31.63023 8.995015       3.443451  8.808004       3.775879  5.231873       64.59068 
1 1 1 -6  -3  19 o 288.9052 22.86975 19.46086       4.041163  19.63617       4.089601  -0.9585266     48.01128 
1 1 1 -6  -3  20 o 113.0059 39.61117 -1.474035      3.278174  9.310382       3.606415  -97.46441      59.34441 
1 1 1 -6  -2  1  o 483.9849 12.15802 50.49124       3.657847  52.48548       3.636770  -9.431305      24.37242 
1 1 1 -6  -2  2  o 790.6748 14.32212 133.5167       6.927475  141.6894       7.125923  -23.47559      28.71721 
1 1 1 -6  -2  3  o 239.5480 17.23583 12.96148       2.541165  12.46100       2.546975  4.855347       34.93597 
1 1 1 -6  -2  4  o 250.7843 17.62877 12.96960       2.692070  14.99917       2.759123  -18.61172      35.80040 
1 1 1 -6  -2  5  o 586.6819 13.64559 76.38300       4.949337  75.45744       4.982940  3.663574       27.42561 
1 1 1 -6  -2  6  o 253.4447 19.10499 16.15376       3.001746  12.59112       2.961685  32.69627       39.26382 
1 1 1 -6  -2  7  o 253.7029 19.59501 14.06553       2.952471  14.70912       3.180034  -5.217880      39.98861 
1 1 1 -6  -2  8  o 164.8103 28.74553 5.488789       2.788368  7.005645       2.877734  -19.89896      56.37458 
1 1 1 -6  -2  9  o 413.8760 15.68099 37.39078       4.034761  38.14520       4.002614  -4.215820      31.51300 
1 1 1 -6  -2  10 f 353.4468 23.49375 31.28768       5.280306  24.68188       4.976713  42.65063       47.76668 
1 1 1 -6  -2  11 o 255.4109 29.18337 20.25160       4.587794  9.490315       4.495265  99.10800       62.57306 
1 1 1 -6  -2  12 o 853.6242 23.89051 153.4793       12.20248  171.7920       13.12393  -47.54291      48.16504 
1 1 1 -6  -2  13 o 644.2114 22.87768 89.82867       8.981845  94.97395       9.281131  -17.77216      46.16647 
1 1 1 -6  -2  14 o 443.4576 16.54619 40.96780       4.398870  46.60610       4.703718  -28.52863      33.33719 
1 1 1 -6  -2  15 o 194.7212 29.29770 9.209987       3.398657  8.422913       3.460798  9.594284       59.89761 
1 1 1 -6  -2  16 o 136.3477 38.06602 4.209133       3.250869  5.036343       3.441413  -9.659424      65.86127 
1 1 1 -6  -2  17 o 101.8114 38.66597 0.9653706      3.288792  3.384689       3.452369  -22.02441      63.13202 
1 1 1 -6  -2  18 o 121.2686 38.82766 2.435086       3.143705  5.406287       3.489139  -31.16045      64.53532 
1 1 1 -6  -2  19 o 163.6551 36.32968 6.562294       3.488762  7.538812       3.704821  -9.681000      67.87202 
1 1 1 -6  -2  20 o 137.5598 38.98527 5.452002       3.431974  5.016441       3.526142  4.742752       66.92051 
1 1 1 -6  -2  21 o 65.73265 31.17899 -2.607423      3.301063  -1.172448      3.548128  -9.207359      53.01863 
1 1 1 -6  -1  1  o 1076.487 17.42547 254.4489       11.61912  255.6066       11.65327  -2.434326      34.91122 
1 1 1 -6  -1  2  f 218.3591 17.27715 10.68146       2.328759  10.44387       2.313667  2.498886       35.08122 
1 1 1 -6  -1  3  o 380.2749 13.30210 32.50090       3.143359  31.18855       3.122803  7.883179       26.70272 
1 1 1 -6  -1  4  o 146.4501 27.40656 4.881496       2.417588  4.965796       2.379436  -1.220840      52.94666 
1 1 1 -6  -1  5  o 262.4960 17.15267 14.25878       2.772911  16.34941       2.782511  -18.43326      34.83698 
1 1 1 -6  -1  6  o 472.1722 19.57240 0.000000       0.000000  49.63443       4.044858  ?              ?        
1 1 1 -6  -1  7  o 241.5402 19.44853 11.95138       2.869915  14.16126       2.909296  -21.26320      39.85542 
1 1 1 -6  -1  8  o 323.7462 16.61018 23.85446       3.276934  22.49983       3.374434  9.820099       33.56059 
1 1 1 -6  -1  9  o 385.9787 15.26333 33.41730       3.619990  32.27943       3.675241  6.829437       30.69407 
1 1 1 -6  -1  10 o 360.7299 16.87649 29.04499       3.826938  28.45729       3.707796  3.579224       33.98389 
1 1 1 -6  -1  11 o 268.1991 28.42513 13.68938       4.568419  18.95483       4.751296  -45.80937      59.22867 
1 1 1 -6  -1  12 o 288.0468 27.80601 22.15637       5.082438  15.68284       4.748066  51.81638       57.78157 
1 1 1 -6  -1  13 o 258.4237 32.13726 10.82843       4.845772  20.37665       5.261430  -84.81956      66.97784 
1 1 1 -6  -1  14 f 661.7032 22.39866 105.7691       9.492675  90.58197       8.897563  51.31891       45.26600 
1 1 1 -6  -1  15 f 220.7330 25.26775 10.13173       3.308124  12.21624       3.494565  -21.43547      52.59175 
1 1 1 -6  -1  16 o 291.1690 20.50533 14.60356       3.460673  25.05646       3.947001  -81.00072      42.61490 
1 1 1 -6  -1  17 o 202.9978 27.90891 8.358298       3.381966  11.25569       3.462397  -32.92819      58.36535 
1 1 1 -6  -1  18 o 254.4163 23.87665 15.64658       3.649825  14.45807       3.803246  12.65852       50.46846 
1 1 1 -6  -1  19 o 171.4376 34.18991 6.703118       3.397306  8.461025       3.631126  -18.81256      66.09109 
1 1 1 -6  -1  20 o 80.37936 35.31041 4.870364       3.313824  -4.913713      3.476346  60.57802       57.44589 
1 1 1 -6  -1  21 o 82.81068 35.72548 0.7720668      3.180990  0.6358509      3.530513  -2.152985      58.20755 
1 1 1 -6  0   1  o 230.1447 15.25603 12.15406       2.166644  11.24218       2.164778  9.151733       30.84656 
1 1 1 -6  0   2  o 346.2177 12.89817 28.04081       2.811756  24.82474       2.720969  21.18405       25.89989 
1 1 1 -6  0   3  o 570.5432 12.71877 71.53571       4.523679  71.59199       4.479492  -0.2582397     25.51459 
1 1 1 -6  0   4  o 486.5563 12.97280 52.45584       3.951814  51.80614       3.873304  2.977264       26.02326 
1 1 1 -6  0   5  o 234.7119 18.24309 12.62646       2.654031  11.90417       2.616941  7.064331       37.13010 
1 1 1 -6  0   6  o 569.0959 13.57807 67.74279       4.696317  75.54617       4.896671  -31.05957      27.30087 
1 1 1 -6  0   7  o 130.1518 32.24414 5.553694       2.591548  2.453814       2.587946  40.82859       56.17629 
1 1 1 -6  0   8  o 468.2738 14.05058 45.53837       3.956403  51.62758       4.208893  -29.38345      28.22366 
1 1 1 -6  0   9  o 773.4760 15.32922 129.8692       7.261885  133.8230       7.451806  -11.49689      30.77186 
1 1 1 -6  0   10 o 233.1332 20.93235 9.862277       2.957787  14.46532       3.033633  -46.15244      43.58889 
1 1 1 -6  0   11 o 212.3992 34.67620 10.58504       4.276759  10.14814       4.559374  5.210663       69.47102 
1 1 1 -6  0   12 o 394.6050 22.36007 33.39508       5.305105  36.12911       5.609500  -15.31131      45.29535 
1 1 1 -6  0   13 o 534.5330 18.23853 62.82841       5.154512  64.08745       7.623209  -1.242310      39.54929 
1 1 1 -6  0   14 o 519.7448 22.15966 58.20027       6.947252  62.46465       7.323773  -18.00211      44.81116 
1 1 1 -6  0   15 o 211.8121 36.52066 10.06328       4.491159  11.26037       4.772108  -11.30569      72.76608 
1 1 1 -6  0   16 o 137.0049 37.46222 3.374728       3.104862  6.128281       3.475712  -32.18086      64.81625 
1 1 1 -6  0   17 o 284.1203 20.89899 17.03672       3.495502  20.06913       3.844522  -22.82327      43.07638 
1 1 1 -6  0   18 o 247.7807 22.80990 13.68280       3.260179  14.90343       3.718061  -7.878571      48.00930 
1 1 1 -6  0   19 o 77.28793 33.62936 -0.3605925     2.931074  0.8175642      3.102599  -10.07846      55.64886 
1 1 1 -6  0   20 o 154.2551 35.25006 8.144351       3.287650  4.387384       3.310617  43.66566       63.62997 
1 1 1 -6  0   21 o 141.0907 38.17709 5.394300       3.337096  5.811779       3.513345  -3.631821      66.54924 
1 1 1 -6  0   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  1   1  o 403.2602 11.88480 37.73559       3.082800  34.03860       2.868284  20.78571       23.83098 
1 1 1 -6  1   2  o 440.4468 12.08698 46.22832       3.440176  39.61641       3.174355  34.05423       24.22920 
1 1 1 -6  1   3  o 779.7956 14.14081 133.2817       6.836125  134.2420       6.844358  -2.808289      28.35711 
1 1 1 -6  1   4  o 512.8995 12.76098 59.19094       4.113324  56.62063       4.008819  11.36328       25.61798 
1 1 1 -6  1   5  o 429.0258 13.51498 42.90065       3.671675  38.48653       3.517867  23.34125       27.14526 
1 1 1 -6  1   6  o 199.7384 21.54815 8.146270       2.645252  9.805246       2.610404  -19.81927      44.79333 
1 1 1 -6  1   7  o 104.2739 40.25300 0.000000       0.000000  1.812646       2.608987  ?              ?        
1 1 1 -6  1   8  o 256.9284 18.54289 16.31890       2.941335  13.10170       2.929594  29.13242       37.97000 
1 1 1 -6  1   9  o 701.6230 14.66909 110.1329       6.426490  106.8034       6.343217  10.76648       29.44982 
1 1 1 -6  1   10 o 320.8351 17.03879 23.23094       3.392277  22.28491       3.365702  6.748962       34.35294 
1 1 1 -6  1   11 o 157.9021 40.30840 5.859003       2.800956  0.000000       0.000000  ?              ?        
1 1 1 -6  1   12 o 654.6680 21.11544 97.41824       8.642216  92.97570       8.487581  15.30402       42.55494 
1 1 1 -6  1   13 o 526.8530 21.96584 65.68249       7.321305  58.03769       7.014687  32.78476       44.34819 
1 1 1 -6  1   14 o 97.20522 40.43649 -1.438468      3.323357  6.541733       5.526105  -81.02287      72.02290 
1 1 1 -6  1   15 o 236.3337 34.16247 15.00301       4.778754  10.93117       4.952203  40.71700       70.54525 
1 1 1 -6  1   16 o 269.7633 29.87829 19.40167       4.887268  14.37019       4.945455  45.29843       63.67865 
1 1 1 -6  1   17 o 328.4427 19.01711 28.91552       3.894770  19.98734       3.822204  63.23819       39.52470 
1 1 1 -6  1   18 o 109.8159 38.02584 1.688394       3.121344  4.179409       3.192425  -24.65262      62.24385 
1 1 1 -6  1   19 o 97.24474 36.94784 0.3690665      3.000957  3.942643       3.156532  -32.65477      59.82454 
1 1 1 -6  1   20 o 144.2143 36.55605 6.824529       3.209222  4.306364       3.343027  28.87640       64.34628 
1 1 1 -6  1   21 o 103.1155 38.27149 3.242224       3.142170  2.264916       3.389767  7.193031       61.64021 
1 1 1 -6  1   22 o 200.7228 28.95348 13.35972       3.605257  7.601831       3.405245  63.55360       61.00676 
1 1 1 -6  2   1  o 284.0235 13.63774 18.69938       2.478583  16.95984       2.320708  13.87109       27.42724 
1 1 1 -6  2   2  o 469.4064 12.06868 48.61974       3.536057  48.28552       3.487005  1.593231       24.19072 
1 1 1 -6  2   3  o 290.0265 14.06720 18.02878       2.520242  19.06932       2.526317  -8.235229      28.31242 
1 1 1 -6  2   4  o 257.6443 16.11676 14.42562       2.601314  14.93624       2.526164  -4.718765      32.60534 
1 1 1 -6  2   5  o 424.5010 13.43071 45.64698       3.733088  34.96860       3.360630  56.83920       26.98693 
1 1 1 -6  2   6  o 375.0857 14.31821 31.99848       3.351551  30.26973       3.299756  10.48239       28.81959 
1 1 1 -6  2   7  o 483.6459 13.59582 50.25072       4.062712  53.18612       4.087218  -13.86856      27.33643 
1 1 1 -6  2   8  o 160.1914 27.29339 5.773373       2.668761  6.044489       2.564371  -3.960220      54.11155 
1 1 1 -6  2   9  o 71.96487 31.24768 0.9378439      2.675003  -1.275099      2.512953  20.61207       52.81832 
1 1 1 -6  2   10 o 195.9111 25.79263 8.324601       3.155108  8.957841       2.970166  -8.107666      53.13160 
1 1 1 -6  2   11 o 114.9738 42.19550 2.469662       2.787684  0.000000       0.000000  ?              ?        
1 1 1 -6  2   12 o 226.6003 32.55190 9.866732       4.347550  13.87189       4.548196  -40.07271      66.49422 
1 1 1 -6  2   13 o 355.0868 24.57774 25.22490       5.210196  31.62683       5.568182  -40.90195      50.12899 
1 1 1 -6  2   14 o 414.5029 20.68136 36.18207       4.626099  42.11143       6.395492  -28.56952      43.20094 
1 1 1 -6  2   15 f 389.7159 23.80327 35.96727       5.721223  32.34671       5.732725  21.69131       48.60607 
1 1 1 -6  2   16 o 296.8327 26.80229 22.29342       4.892138  18.14458       4.871988  33.22305       56.18257 
1 1 1 -6  2   17 o 326.5948 21.94271 26.67466       5.400130  23.10178       3.832089  15.86093       47.17040 
1 1 1 -6  2   18 o 193.5012 28.50696 10.37262       3.258528  7.539376       3.383733  35.06157       59.27950 
1 1 1 -6  2   19 o 120.4046 37.25111 3.270937       3.039592  4.307015       3.091521  -11.20261      62.51912 
1 1 1 -6  2   20 o 132.2492 37.78098 2.370767       3.269220  7.194013       3.238162  -50.90884      62.50792 
1 1 1 -6  2   21 o 86.13997 36.12786 -0.9143796     3.202535  3.445568       3.308911  -31.34830      58.51696 
1 1 1 -6  2   22 o 81.09677 34.61134 0.5491063      3.059040  1.330332       3.090269  -5.519272      55.98272 
1 1 1 -6  3   1  o 401.6993 12.58535 36.48608       3.155642  34.53655       3.109231  11.06589       25.24341 
1 1 1 -6  3   2  o 267.0219 14.86484 14.19303       2.415085  17.37689       2.491672  -27.33670      30.04059 
1 1 1 -6  3   3  o 257.7340 15.62853 14.80406       2.546223  14.56943       2.431560  1.909866       31.57070 
1 1 1 -6  3   4  o 339.3827 14.28477 23.94922       3.029170  26.82388       2.972809  -19.53836      28.81304 
1 1 1 -6  3   5  o 433.0951 13.32295 42.66620       3.687372  40.23936       3.472420  12.51852       26.77104 
1 1 1 -6  3   6  o 401.1952 14.00533 35.45769       3.529139  35.71987       3.433158  -1.684631      28.18773 
1 1 1 -6  3   7  o 122.6546 33.56014 1.828212       2.642672  5.251556       2.611619  -42.95602      56.58995 
1 1 1 -6  3   8  o 616.2596 14.06652 84.95609       5.425987  82.79159       5.329956  7.885437       28.28174 
1 1 1 -6  3   9  o 447.7071 14.04237 46.07426       4.037263  42.57943       3.766882  17.51154       28.21279 
1 1 1 -6  3   10 o 344.8623 22.30398 0.000000       0.000000  26.43548       3.355784  ?              ?        
1 1 1 -6  3   11 o 605.2567 17.27043 88.09260       5.767929  68.61842       7.536265  77.58777       37.53717 
1 1 1 -6  3   12 o 340.2328 20.18523 25.28376       5.039351  25.99045       3.731486  -7.944824      43.15132 
1 1 1 -6  3   13 o 167.3989 42.94139 4.874398       4.410042  8.637724       4.554316  -37.89771      75.15959 
1 1 1 -6  3   14 o 551.8505 22.02787 62.38691       7.261593  74.05943       7.820498  -47.39642      44.49312 
1 1 1 -6  3   15 o 277.4010 23.84620 17.53285       3.554476  17.04738       4.881396  9.936493       52.46398 
1 1 1 -6  3   16 o 122.3064 43.10165 5.981662       4.111890  0.8399162      4.020854  44.61224       69.88729 
1 1 1 -6  3   17 o 103.2935 41.68599 2.784462       4.066935  0.5118277      4.174343  14.94022       68.08570 
1 1 1 -6  3   18 o 188.2161 28.11402 8.148091       3.117054  8.939399       3.251122  -8.494980      58.35155 
1 1 1 -6  3   19 o 175.8329 31.04332 5.440884       3.055476  10.64632       3.517553  -59.13837      60.82402 
1 1 1 -6  3   20 o 189.8235 28.46318 9.258892       3.189462  8.630454       3.310687  9.307251       59.84265 
1 1 1 -6  3   21 o 171.9332 36.57954 11.27522       3.389057  2.764566       4.351564  89.60720       62.56890 
1 1 1 -6  3   22 o 118.8393 37.88884 3.286924       3.194001  4.900434       3.103420  -15.97038      62.40932 
1 1 1 -6  4   1  o 259.8547 15.93175 15.73466       2.600804  14.15825       2.512951  13.85098       32.16515 
1 1 1 -6  4   2  o 472.4341 12.75238 51.46986       3.855893  47.03623       3.622625  21.23880       25.57568 
1 1 1 -6  4   3  o 361.8885 13.95644 28.54327       3.154032  29.18817       3.100975  -4.150635      28.05278 
1 1 1 -6  4   4  o 144.6667 27.94947 4.421643       2.418025  5.231317       2.416756  -11.61194      53.49603 
1 1 1 -6  4   5  o 386.6741 14.23823 32.29882       3.431319  33.76069       3.387854  -8.753357      28.65535 
1 1 1 -6  4   6  o 177.8251 24.19492 5.849855       2.642114  8.484704       2.559355  -34.84859      50.07891 
1 1 1 -6  4   7  o 217.1617 20.43810 11.59264       2.791169  9.713227       2.655577  19.79602       42.12169 
1 1 1 -6  4   8  o 263.8182 17.82380 14.40996       2.940904  16.52785       2.860328  -18.90239      36.38677 
1 1 1 -6  4   9  o 435.7401 14.50027 41.00300       3.940115  42.76564       3.888288  -9.344727      29.15037 
1 1 1 -6  4   10 o 404.9879 21.19121 0.000000       0.000000  36.38361       3.751332  ?              ?        
1 1 1 -6  4   11 o 717.7549 15.15253 114.2046       6.800901  112.8847       6.693357  4.086426       30.42874 
1 1 1 -6  4   12 o 501.4110 20.49949 59.54515       6.608223  52.63576       6.142526  30.72888       41.35995 
1 1 1 -6  4   13 o 543.1066 21.35999 63.11425       7.186152  68.16337       7.178159  -21.44562      43.16853 
1 1 1 -6  4   14 o 468.7449 22.80468 46.67968       6.659972  51.26882       6.563225  -22.88181      46.26070 
1 1 1 -6  4   15 o 194.9295 33.02510 11.04094       3.449401  5.344478       4.435925  63.22653       65.56686 
1 1 1 -6  4   16 o 149.0368 43.56357 5.912175       4.356324  5.137294       4.207751  7.829178       74.42973 
1 1 1 -6  4   17 o 105.1686 42.25864 2.962386       4.408444  0.8553600      4.042615  17.73859       69.27113 
1 1 1 -6  4   18 o 162.2499 32.27188 7.698515       3.176821  5.472641       3.092322  27.24039       61.80958 
1 1 1 -6  4   19 o 114.2355 44.22789 0.000000       0.000000  3.108819       3.156494  ?              ?        
1 1 1 -6  4   20 o 253.8885 22.24374 17.89079       3.591460  12.96881       3.356210  43.98041       47.56228 
1 1 1 -6  4   21 o 82.07013 35.03241 -0.7683939     3.155643  2.499253       3.145787  -22.07024      56.85093 
1 1 1 -6  4   22 o 86.32585 35.60822 2.166897       3.153352  0.9619014      3.024474  9.464523       57.18338 
1 1 1 -6  5   1  o 873.6647 15.54575 172.5063       8.616649  164.0743       8.245705  21.71173       31.19768 
1 1 1 -6  5   2  o 300.0745 15.73959 21.19598       3.024699  18.76349       2.824678  18.31403       31.72081 
1 1 1 -6  5   3  o 368.6700 14.45593 29.25153       3.347011  30.69951       3.254093  -9.146851      29.10512 
1 1 1 -6  5   4  o 194.8452 21.34994 6.586017       2.596986  10.30656       2.483398  -45.77858      45.47869 
1 1 1 -6  5   5  o 472.6947 13.84868 45.20319       3.997203  53.79963       4.118234  -41.46350      27.88270 
1 1 1 -6  5   6  o 226.2027 20.50341 11.58372       2.903795  11.42440       2.791117  1.184341       42.17219 
1 1 1 -6  5   7  o 301.7067 17.09013 21.52603       3.286274  19.14837       3.093321  17.64142       34.60511 
1 1 1 -6  5   8  o 571.7622 14.22456 71.99554       5.102637  72.34698       4.989483  -1.596802      28.61704 
1 1 1 -6  5   9  o 699.0372 14.83163 109.3520       6.537611  106.2057       6.330205  10.04364       29.79336 
1 1 1 -6  5   10 o 345.7776 19.61318 29.89797       6.022596  25.42525       3.402651  24.09216       44.91264 
1 1 1 -6  5   11 o 123.5225 37.94020 2.853551       4.022861  3.749323       2.719970  0.7298889      65.31511 
1 1 1 -6  5   12 o 385.9782 22.70375 32.12769       5.385393  34.38549       5.438920  -13.42047      46.06649 
1 1 1 -6  5   13 o 173.9113 41.95255 9.959085       4.444052  4.457350       4.503052  55.10551       73.59959 
1 1 1 -6  5   14 o 93.08119 38.13893 -1.269441      3.140166  4.290720       4.053557  -55.29571      64.40031 
1 1 1 -6  5   15 o 106.7656 42.76985 0.3617794E-01  4.374285  3.035295       4.234088  -19.94610      70.21412 
1 1 1 -6  5   16 o 279.3002 28.50819 17.35625       4.955696  18.65035       4.788637  -12.21848      59.97860 
1 1 1 -6  5   17 o 153.8492 44.32811 1.153545       4.303101  11.94282       4.636879  -98.13000      70.12949 
1 1 1 -6  5   18 o 84.69328 35.16538 -0.6083432     3.018375  2.436644       3.057844  -23.94267      57.55137 
1 1 1 -6  5   19 o 86.58083 35.81693 -0.1420218     3.136411  2.295040       3.134465  -18.33871      58.38770 
1 1 1 -6  5   20 o 95.89398 36.54675 1.648726       3.031310  2.677325       2.999239  -8.645309      59.08808 
1 1 1 -6  5   21 o 111.0467 37.90094 4.411367       3.191776  2.609817       3.075707  17.06570       61.74504 
1 1 1 -6  5   22 o 91.72139 36.32098 1.456246       3.173208  2.700562       2.972336  -8.584579      57.91064 
1 1 1 -6  5   23 o 76.77390 36.25240 -1.702489      4.265167  0.3453141E-02  4.834408  -9.363480      59.08588 
1 1 1 -6  6   1  o 613.7262 14.02738 83.39227       5.393795  82.55807       5.288407  2.991699       28.17146 
1 1 1 -6  6   2  o 98.95207 34.85506 1.829922       2.688378  2.102531       2.629534  -2.303963      57.77480 
1 1 1 -6  6   3  f 140.6779 29.86738 5.142843       2.597990  4.132339       2.459182  14.23663       55.71748 
1 1 1 -6  6   4  o 652.0878 14.52426 93.76747       5.958613  94.06187       5.795029  -1.311829      29.21701 
1 1 1 -6  6   5  o 64.24593 29.26764 -1.349415      2.643008  -0.7650151     2.503033  -1.583145      50.09805 
1 1 1 -6  6   6  o 316.7166 16.38437 20.67719       3.241188  23.88018       3.175861  -23.57938      33.29396 
1 1 1 -6  6   7  o 197.7862 23.44724 10.71168       2.873515  7.182852       2.771008  41.65276       48.98626 
1 1 1 -6  6   8  o 530.0104 14.64791 65.75779       5.015867  58.90413       4.629827  28.95764       29.44199 
1 1 1 -6  6   9  o 99.01025 35.94190 1.090884       2.979558  2.504235       2.734182  -11.45847      59.24587 
1 1 1 -6  6   10 o 526.7997 21.11895 57.13723       6.891569  65.90651       6.883166  -38.33105      42.68772 
1 1 1 -6  6   11 o 342.1803 23.31061 27.22360       5.110286  25.17242       4.746624  13.00888       47.40159 
1 1 1 -6  6   12 o 604.4641 21.35559 81.36140       8.069043  81.23387       7.922853  0.1609497      43.10625 
1 1 1 -6  6   13 o 404.6179 23.13286 32.95240       5.723084  40.43584       5.842745  -42.57632      47.15830 
1 1 1 -6  6   14 f 208.0974 32.89998 9.375360       3.678916  11.10394       4.727369  -15.07550      67.32412 
1 1 1 -6  6   15 o 209.7521 37.95620 10.00923       4.971666  10.89723       4.567683  -10.46059      74.83553 
1 1 1 -6  6   16 o 303.9637 28.36584 22.18795       5.561528  20.65803       5.049077  8.658569       59.49432 
1 1 1 -6  6   17 o 228.5884 28.19596 11.67778       4.872971  12.61479       3.361939  -22.31577      63.88161 
1 1 1 -6  6   18 o 194.4384 27.56332 8.077225       3.272080  10.08005       3.192308  -25.03014      57.85238 
1 1 1 -6  6   19 o 95.96607 36.98407 2.033103       3.172024  1.947311       3.053339  1.601273       60.09635 
1 1 1 -6  6   20 o 87.98528 35.94059 4.744534       3.266505  -1.261418      2.966648  48.87621       58.14346 
1 1 1 -6  6   21 o 107.0872 37.79972 2.669982       3.304274  3.711002       2.977012  -8.681946      61.04955 
1 1 1 -6  6   22 o 84.91436 35.19846 2.707938       3.210091  0.6232717      2.888387  16.58411       56.54686 
1 1 1 -6  6   23 o 115.9530 38.08392 7.912383       3.383003  1.394949       2.985995  59.50486       60.74665 
1 1 1 -6  7   1  o 251.6492 18.51634 15.32152       2.938869  12.99234       2.806170  21.13390       37.68609 
1 1 1 -6  7   2  o 117.9686 33.89355 1.504694       2.632534  4.926418       2.590577  -42.15281      56.45237 
1 1 1 -6  7   3  o 134.5589 33.02777 6.137460       2.793117  2.572378       2.682277  46.13638       57.56919 
1 1 1 -6  7   4  o 99.59892 34.76715 1.673272       2.712877  2.451824       2.574846  -7.066635      57.52203 
1 1 1 -6  7   5  o 421.3383 22.18893 39.86742       4.086345  0.000000       0.000000  ?              ?        
1 1 1 -6  7   6  o 457.8006 15.12675 46.38261       4.412971  46.53839       4.176479  -1.337189      30.51649 
1 1 1 -6  7   7  o 551.3541 17.58428 70.44717       7.566230  66.13536       5.131989  12.04150       37.86724 
1 1 1 -6  7   8  f 1076.557 27.14572 250.3827       17.78640  269.3362       18.45986  -38.90027      54.91819 
1 1 1 -6  7   9  o 370.1237 23.56905 23.39651       5.243009  38.49805       5.535348  -94.14569      49.01509 
1 1 1 -6  7   10 o 458.9201 21.66916 50.57217       6.530389  43.73582       5.831394  32.89224       43.78573 
1 1 1 -6  7   11 o 344.7401 24.55588 24.93022       5.405613  28.04094       5.046626  -22.09872      50.53440 
1 1 1 -6  7   12 o 267.2467 24.50795 16.59524       3.576320  15.21257       4.677022  16.62209       53.50798 
1 1 1 -6  7   13 f 430.5974 23.75525 43.14689       6.504076  40.05061       6.151901  15.63919       48.24304 
1 1 1 -6  7   14 o 372.1492 27.25158 33.03989       6.519479  29.77025       6.006880  18.67316       55.86130 
1 1 1 -6  7   15 o 309.0175 29.07791 15.60412       5.410561  28.69078       5.611813  -100.3820      63.32478 
1 1 1 -6  7   16 o 125.8584 45.20734 4.720337       4.756245  2.705556       4.268250  18.83761       74.37502 
1 1 1 -6  7   17 o 232.4429 24.35734 10.14195       3.488805  14.86234       3.431838  -49.48483      52.43918 
1 1 1 -6  7   18 o 177.9523 29.92797 7.334728       3.347600  8.183451       3.046696  -13.32370      60.84994 
1 1 1 -6  7   19 o 234.9948 24.31416 12.30854       3.717520  13.82478       3.305112  -20.98692      53.07287 
1 1 1 -6  7   20 o 120.2314 38.90082 2.304808       3.451182  5.638587       3.184011  -31.46939      63.15938 
1 1 1 -6  7   21 f 223.4239 26.36453 13.14750       3.696791  12.07857       3.480372  7.655579       58.19860 
1 1 1 -6  7   22 o 134.6492 38.04440 5.085528       3.509328  5.975388       3.153840  -11.52240      64.74366 
1 1 1 -6  7   23 o 70.56255 32.20239 -3.172043      3.300191  2.572344       2.982259  -27.17958      52.34263 
1 1 1 -6  8   1  o 147.8749 43.45451 8.865973       4.494109  2.353789       4.039993  64.33338       72.06818 
1 1 1 -6  8   2  o 80.32999 36.76596 -1.647177      4.253974  -1.718409      3.993629  3.770241       62.83977 
1 1 1 -6  8   3  o 150.9943 41.40110 4.757214       4.140551  6.217134       3.860421  -14.15852      71.75212 
1 1 1 -6  8   4  o 121.4268 42.96694 1.171721       4.073845  5.175301       4.013790  -33.89310      70.06091 
1 1 1 -6  8   5  f 206.2499 35.63242 7.388259       4.612431  12.30958       4.204004  -52.72357      70.23842 
1 1 1 -6  8   6  o 152.3866 43.07880 6.892743       4.439190  4.558150       4.087183  24.10992       74.13934 
1 1 1 -6  8   7  o 415.9029 23.96412 42.49978       6.541013  35.74059       5.832527  35.50656       48.70336 
1 1 1 -6  8   8  o 587.5505 22.31919 79.25926       8.387699  74.55195       7.876180  17.39734       45.06480 
1 1 1 -6  8   9  o 372.9616 20.96965 28.81614       4.340868  34.28996       5.539083  -31.14850      42.95589 
1 1 1 -6  8   10 o 71.89928 32.40800 -2.130113      3.137419  -0.3650102E-01 2.973037  -11.11842      55.26168 
1 1 1 -6  8   11 o 502.0636 22.21995 59.87240       6.987206  52.61114       6.821861  32.98242       44.96329 
1 1 1 -6  8   12 o 303.4478 28.07345 23.19487       5.291887  18.70366       5.159646  34.50104       58.35908 
1 1 1 -6  8   13 f 243.1165 33.62322 12.49257       4.985856  14.78113       4.885920  -22.45386      69.56947 
1 1 1 -6  8   14 o 510.3614 24.55999 66.30177       8.205620  52.19957       7.367124  61.08969       49.89811 
1 1 1 -6  8   15 f 78.13122 34.42294 1.718361       3.462288  -2.067521      3.065014  31.45398       58.50550 
1 1 1 -6  8   16 o 212.4518 26.45600 9.383384       3.500787  11.49193       3.328266  -24.90205      55.84557 
1 1 1 -6  8   17 o 133.8073 38.32806 6.812247       3.444715  2.585887       3.251920  45.83930       64.39180 
1 1 1 -6  8   18 o 91.90391 37.20902 -1.534695      3.272380  4.630272       3.316228  -47.78915      59.73268 
1 1 1 -6  8   19 o 251.6136 22.89081 13.78694       3.769604  15.94114       3.337265  -26.35014      50.06553 
1 1 1 -6  8   20 o 123.9823 37.96337 4.842437       3.313539  4.016937       3.085822  7.980484       63.65025 
1 1 1 -6  8   21 o 71.35557 32.52807 -1.768947      3.347446  0.9976578      3.037856  -11.80150      53.23138 
1 1 1 -6  8   22 o 97.20226 38.12655 4.052751       3.602266  1.856606       3.147458  16.41544       60.49098 
1 1 1 -6  8   23 o 77.43911 34.16726 1.416530       3.356225  0.5333555      3.078519  6.479988       54.47625 
1 1 1 -6  9   1  o 269.1030 28.76907 16.86682       4.892995  16.38199       4.578656  2.586639       60.18060 
1 1 1 -6  9   2  o 110.5000 42.26181 3.120914       4.179531  1.393902       3.915487  16.05476       69.53593 
1 1 1 -6  9   3  o 215.1015 36.71169 11.29799       4.584596  10.62895       4.874407  8.050919       73.46592 
1 1 1 -6  9   4  o 203.0394 39.55425 7.970306       4.584972  12.26496       5.054651  -42.08032      75.69521 
1 1 1 -6  9   5  o 318.4023 25.00588 27.91917       5.154863  18.75241       4.678410  65.40045       51.76371 
1 1 1 -6  9   6  o 240.4104 31.57477 13.52081       4.499665  13.00870       4.696841  5.885956       65.52726 
1 1 1 -6  9   7  o 611.3019 22.24424 81.37090       8.319769  84.98056       8.526071  -13.16003      44.89353 
1 1 1 -6  9   8  o 627.1404 22.35335 84.26169       8.578466  90.63239       8.789735  -22.96796      45.08010 
1 1 1 -6  9   9  o 661.6216 22.32981 91.93909       8.992128  102.9109       9.319473  -37.50757      45.02835 
1 1 1 -6  9   10 o 308.8206 27.56594 25.03081       5.561227  18.69266       4.943690  45.94647       56.76814 
1 1 1 -6  9   11 o 224.9724 34.63038 13.10530       4.922364  10.64160       4.466861  23.19031       70.34005 
1 1 1 -6  9   12 o 504.9739 23.35611 54.99931       7.316752  59.22706       7.276189  -19.51456      47.42036 
1 1 1 -6  9   13 o 281.7048 22.77207 18.03026       4.135344  17.63731       3.779552  1.998718       46.79148 
1 1 1 -6  9   14 o 188.2272 33.83430 6.439885       3.854661  10.15159       3.757831  -42.26001      65.83289 
1 1 1 -6  9   15 o 241.5604 24.10576 9.340561       3.503157  17.58836       3.628011  -80.82352      52.26537 
1 1 1 -6  9   16 o 134.9265 37.91125 8.392000       3.448606  1.301906       3.175668  77.50368       61.32806 
1 1 1 -6  9   17 o 76.35656 33.84366 -3.381076      3.202365  2.786268       3.163586  -39.98757      56.41909 
1 1 1 -6  9   18 o 91.63813 37.37811 4.923810       3.534080  -1.278976      3.197533  49.41622       60.63672 
1 1 1 -6  9   19 o 180.5954 31.95543 4.940000       3.499363  11.63755       3.400578  -77.96593      61.25693 
1 1 1 -6  9   20 o 86.37546 36.05721 1.265890       3.399650  1.515076       3.064169  0.5536423      58.00548 
1 1 1 -6  9   21 o 106.9987 38.04046 3.723083       3.369841  3.242028       3.006489  4.179237       61.21441 
1 1 1 -6  9   22 f 91.79794 37.37290 1.364338       3.598202  3.192659       3.138181  -10.63857      58.51930 
1 1 1 -6  9   23 o 78.53726 34.25739 -0.5258363     3.412175  2.509267       2.929191  -14.72364      53.95921 
1 1 1 -6  10  1  f 125.4874 38.52480 5.558528       3.608747  2.344557       3.036866  38.08883       65.00141 
1 1 1 -6  10  2  o 114.2396 40.89816 2.978805       3.375373  2.288591       4.067862  -0.1571655E-02 67.73131 
1 1 1 -6  10  3  o 354.9637 25.48717 32.17491       6.010931  25.56681       5.221460  40.35788       52.16796 
1 1 1 -6  10  4  o 547.9969 22.20479 70.86974       7.849759  63.74543       7.250889  28.39276       44.92828 
1 1 1 -6  10  5  o 89.84874 37.85730 -0.9224016     4.159816  1.130906       3.217668  -2.093231      63.26704 
1 1 1 -6  10  6  o 360.5430 19.02355 30.02811       4.471369  27.89561       4.040505  12.71982       38.51640 
1 1 1 -6  10  7  o 209.5475 27.30486 11.29748       3.613499  8.814453       3.333303  26.72914       56.18010 
1 1 1 -6  10  8  o 668.9116 16.92493 97.90375       7.029290  99.80100       7.005142  -6.533203      34.00710 
1 1 1 -6  10  9  o 550.5511 24.07996 67.58588       5.801002  0.000000       0.000000  ?              ?        
1 1 1 -6  10  10 o 302.8062 20.77154 19.77896       4.014151  21.05917       3.754883  -10.58221      42.46730 
1 1 1 -6  10  11 o 367.8091 27.81076 30.64573       4.453553  0.000000       0.000000  ?              ?        
1 1 1 -6  10  12 f 325.3866 31.44562 24.24224       4.432228  0.000000       0.000000  ?              ?        
1 1 1 -6  10  13 o 108.8282 39.62099 2.474694       3.634854  2.238823       3.317894  5.199371       65.48199 
1 1 1 -6  10  14 o 269.4995 23.55800 15.98468       3.978024  16.88688       3.824091  -8.659302      48.74550 
1 1 1 -6  10  15 o 185.2710 32.10516 8.810913       3.746807  7.679207       3.391894  11.56842       64.08762 
1 1 1 -6  10  16 f 117.1416 39.02655 1.707111       3.457221  4.757413       3.199889  -28.28932      63.79881 
1 1 1 -6  10  17 o 87.39410 36.55088 -2.007816      3.323299  3.834967       3.310473  -42.41349      59.37305 
1 1 1 -6  10  18 o 105.5559 38.93625 2.088910       3.444662  3.546510       3.288548  -11.56140      62.86604 
1 1 1 -6  10  19 o 174.8788 34.02829 6.730771       3.598748  9.447881       3.519636  -32.29880      66.14780 
1 1 1 -6  10  20 o 59.87794 28.89247 -1.903274      3.357771  -2.815432      3.099079  6.549591       49.29197 
1 1 1 -6  10  21 o 95.51884 37.87902 -0.8469192     3.378473  5.851349       3.305089  -47.87582      59.15129 
1 1 1 -6  10  22 o 106.2687 41.65685 3.898489       3.483556  4.404572       4.842854  -1.232689      64.64196 
1 1 1 -6  10  23 o 71.87576 32.55426 1.239101       3.384579  -0.4350555E-01 2.914767  9.198212       52.16761 
1 1 1 -6  11  1  o 317.7756 20.93745 23.41858       4.105955  21.57127       4.102553  13.48392       42.53431 
1 1 1 -6  11  2  o 126.2588 39.33005 4.604630       3.786564  2.983548       3.127821  21.55096       66.77926 
1 1 1 -6  11  3  o 215.9578 26.75496 8.767003       3.692322  12.05064       3.348056  -37.16667      56.50645 
1 1 1 -6  11  4  o 274.4567 21.77356 17.03250       3.892215  16.64660       3.493284  2.144623       44.65313 
1 1 1 -6  11  5  o 458.2569 17.15870 49.53548       5.178034  44.00075       4.609462  26.73157       34.58686 
1 1 1 -6  11  6  o 191.4359 30.19334 4.979146       3.626613  11.26735       3.326441  -72.54863      60.09248 
1 1 1 -6  11  7  o 485.7446 17.05180 50.30427       5.256964  53.87054       5.011878  -17.25369      34.42367 
1 1 1 -6  11  8  o 183.6013 33.22545 5.635797       3.796819  9.684371       3.509750  -46.78276      64.20037 
1 1 1 -6  11  9  o 207.0337 30.41588 11.48182       3.844901  8.299310       3.737113  34.90721       61.95736 
1 1 1 -6  11  10 o 118.4991 38.81492 3.290529       3.482394  3.061162       3.125686  5.113686       64.98199 
1 1 1 -6  11  11 o 77.92395 34.82800 -0.3281504     3.663597  -1.218733      3.258729  11.32576       59.26466 
1 1 1 -6  11  12 o 247.7355 41.30864 14.59587       4.330829  0.000000       0.000000  ?              ?        
1 1 1 -6  11  13 o 469.9908 18.84419 53.53206       5.734449  45.60967       5.261599  37.44156       38.08460 
1 1 1 -6  11  14 o 100.8549 39.36791 1.746612       3.738668  1.688628       3.403679  3.817200       64.77489 
1 1 1 -6  11  15 o 308.2530 21.76112 25.04820       4.381934  18.89102       3.924444  44.03506       44.81072 
1 1 1 -6  11  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  11  17 o 150.2756 37.85027 7.019347       3.736894  5.189513       3.347109  18.64955       67.67311 
1 1 1 -6  11  18 o 109.0010 39.28756 1.626773       3.483761  4.632772       3.315221  -24.99926      63.05441 
1 1 1 -6  11  19 o 117.2321 40.26699 1.688889       3.788749  5.847939       3.329120  -34.67365      63.98719 
1 1 1 -6  11  20 o 78.63542 34.49269 1.775475       3.495567  -0.2014007E-01 3.010391  13.99657       55.96210 
1 1 1 -6  11  21 o 82.44598 35.61932 -0.9726291     3.548137  3.103704       3.150550  -21.52649      56.36181 
1 1 1 -6  11  22 o 103.6075 39.29285 1.237140       3.672128  5.851426       3.306087  -32.32334      60.41677 
1 1 1 -6  11  23 o 67.46555 31.61656 -1.684259      3.453331  0.9898042      3.213608  -9.564148      50.73362 
1 1 1 -6  12  1  f 220.1427 28.68574 9.750899       3.920653  12.11069       3.734561  -25.75584      59.48904 
1 1 1 -6  12  2  o 500.0092 17.52877 52.40091       5.430871  58.13268       5.425971  -26.32388      35.30950 
1 1 1 -6  12  3  o 472.8564 18.05627 52.99975       5.702204  46.80469       4.950329  28.78305       36.46082 
1 1 1 -6  12  4  o 140.1546 37.77845 4.178627       3.602119  4.923744       3.158399  -6.349030      65.97601 
1 1 1 -6  12  5  o 305.5322 21.63313 19.69728       4.291862  21.70574       3.885519  -16.36053      44.54465 
1 1 1 -6  12  6  o 167.2569 34.64656 7.936783       3.747968  5.479170       3.256349  29.22525       65.10164 
1 1 1 -6  12  7  o 152.5397 37.14616 4.817383       3.585889  6.102856       3.386027  -14.32051      66.54774 
1 1 1 -6  12  8  o 111.3906 45.91132 1.215260       3.624904  0.000000       0.000000  ?              ?        
1 1 1 -6  12  9  o 281.1756 23.89933 17.07194       4.327213  18.42771       3.955812  -12.83719      49.62000 
1 1 1 -6  12  10 o 129.3810 41.06687 -0.5225714     3.777609  7.985357       3.629492  -80.02666      63.63301 
1 1 1 -6  12  11 o 256.6678 32.16964 8.723356       6.746229  17.67949       4.162440  -87.67436      74.85202 
1 1 1 -6  12  12 f 123.3456 45.35155 3.882718       3.932163  1.459265       5.624451  4.251297       75.10508 
1 1 1 -6  12  13 o 249.3669 26.76972 12.37300       4.106185  16.10385       4.046836  -36.16031      56.56194 
1 1 1 -6  12  14 o 151.8692 40.12107 6.928384       3.898492  4.697591       3.775621  23.65857       70.17830 
1 1 1 -6  12  15 o 226.6183 28.41341 9.688208       4.006146  14.41267       3.814276  -51.61896      60.90628 
1 1 1 -6  12  16 o 160.3256 38.08347 5.520404       3.863319  7.760334       3.611458  -25.34746      68.79018 
1 1 1 -6  12  17 o 117.4163 40.29392 0.5715559      3.574590  6.855222       3.508794  -55.16228      63.64020 
1 1 1 -6  12  18 o 86.79307 36.91797 1.293728       3.681470  0.9972886      3.303830  4.658562       59.76152 
1 1 1 -6  12  19 o 165.6661 36.94724 10.92024       4.023957  5.613075       3.443800  50.01028       68.31861 
1 1 1 -6  12  20 f 76.59120 34.39217 1.073637       3.600649  0.1015604E-01  3.230407  7.928162       55.42146 
1 1 1 -6  12  21 o 74.36309 33.45602 4.669199       3.499055  -2.636574      3.023355  43.69646       55.51190 
1 1 1 -6  12  22 o 75.27615 34.28859 3.381768       3.768289  -1.342350      3.325750  23.66181       55.05874 
1 1 1 -6  12  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  13  1  o 219.9262 27.79357 11.81865       3.709831  10.10442       3.704583  18.32840       57.45732 
1 1 1 -6  13  2  o 238.0694 39.32685 0.000000       0.000000  13.18789       3.963446  ?              ?        
1 1 1 -6  13  3  o 168.5500 36.99714 9.561247       3.896067  4.153647       3.640743  60.74065       66.48958 
1 1 1 -6  13  4  o 357.0837 20.77702 25.49785       4.679178  31.01453       4.491323  -36.31223      42.54715 
1 1 1 -6  13  5  o 218.4580 28.37109 10.17426       3.946055  11.43421       3.587423  -14.92751      59.08042 
1 1 1 -6  13  6  o 235.6867 26.73307 9.900554       3.884845  15.16080       3.795624  -53.40421      56.67601 
1 1 1 -6  13  7  o 315.2622 22.05476 29.00790       4.822193  17.84571       3.896187  78.02240       44.98751 
1 1 1 -6  13  8  o 267.9288 24.49403 18.25981       4.258142  14.57351       3.828051  30.51160       50.52196 
1 1 1 -6  13  9  o 174.1280 34.58777 6.130491       3.731004  8.095982       3.489619  -23.24573      65.86020 
1 1 1 -6  13  10 o 394.1543 21.46827 32.44075       5.363943  36.87941       5.104166  -27.00064      43.90920 
1 1 1 -6  13  11 o 186.6119 48.94837 0.000000       0.000000  8.654117       4.055563  ?              ?        
1 1 1 -6  13  12 o 63.37714 31.58206 -13.35633      4.475498  -0.7109473     5.660498  -53.10453      62.73372 
1 1 1 -6  13  13 o 174.7848 39.42173 6.077456       4.279084  8.927869       4.072618  -30.48300      72.14674 
1 1 1 -6  13  14 o 145.8848 41.87805 5.718130       4.177174  5.253633       3.822714  5.006363       71.94276 
1 1 1 -6  13  15 o 215.4161 31.15686 13.67266       4.263084  9.386263       3.853155  42.20308       65.07925 
1 1 1 -6  13  16 o 181.7785 35.55401 5.986856       4.017645  10.77675       3.729291  -54.69623      67.46372 
1 1 1 -6  13  17 o 91.94907 38.02809 2.643231       3.774411  0.9052374      3.333185  14.40310       61.45801 
1 1 1 -6  13  18 o 72.47291 33.52646 0.4630899      3.639133  -1.963739      3.475544  13.21738       55.67482 
1 1 1 -6  13  19 o 173.6647 37.75704 8.998955       4.055285  8.857209       3.854820  -1.538376      71.59704 
1 1 1 -6  13  20 o 83.59926 36.49062 1.095901       3.802755  1.808870       3.378147  -2.017662      57.42290 
1 1 1 -6  13  21 f 70.89846 32.92745 0.3474113E-01  3.611065  -0.1524757     3.361973  2.304642       52.80933 
1 1 1 -6  13  22 o 82.06798 35.97293 4.048609       3.740868  0.1934840      3.305737  20.31343       56.26772 
1 1 1 -6  14  1  o 385.2726 20.81076 35.13016       4.854843  30.81981       5.061953  26.44763       42.41182 
1 1 1 -6  14  2  o 136.5243 39.64319 4.982793       3.546566  3.775026       3.563189  12.84579       67.76086 
1 1 1 -6  14  3  o 110.5972 40.70177 0.4353211      3.694130  4.200750       3.650878  -32.55357      66.40493 
1 1 1 -6  14  4  o 119.5275 41.69510 2.838529       3.918589  3.222295       3.688370  -1.567474      69.05275 
1 1 1 -6  14  5  o 130.1132 41.88668 4.160491       4.071546  3.681032       3.644254  7.387405       70.32346 
1 1 1 -6  14  6  o 110.9056 41.02420 1.098469       3.854250  3.510795       3.633293  -18.55356      67.22861 
1 1 1 -6  14  7  o 187.3347 50.43887 8.755580       4.236093  0.000000       0.000000  ?              ?        
1 1 1 -6  14  8  o 161.0124 41.08196 3.001907       4.375063  8.892022       3.898218  -58.01599      69.96034 
1 1 1 -6  14  9  o 198.9623 35.72702 8.315136       4.607714  10.10240       3.960237  -20.91458      70.56268 
1 1 1 -6  14  10 o 311.8903 24.02641 19.36417       4.755455  24.25093       4.481951  -38.13947      50.27036 
1 1 1 -6  14  11 o 124.7994 50.55919 0.000000       0.000000  2.377910       4.303630  ?              ?        
1 1 1 -6  14  12 o 114.2494 42.72429 3.795381       4.235448  1.743879       3.933788  18.65281       70.07230 
1 1 1 -6  14  13 o 143.5461 42.95930 3.546534       4.373225  6.666595       3.910155  -28.10687      71.94568 
1 1 1 -6  14  14 o 154.0699 41.55914 6.380795       4.494267  6.189488       3.735301  0.9020844      72.90827 
1 1 1 -6  14  15 o 140.8288 43.01718 10.42765       4.642711  2.310164       3.717273  73.56322       70.99512 
1 1 1 -6  14  16 o 121.8191 42.85779 6.028841       4.400866  2.969400       3.721112  24.99047       69.85312 
1 1 1 -6  14  17 o 101.8101 41.14278 4.047535       4.276031  1.521205       3.803263  17.77370       65.72263 
1 1 1 -6  14  18 o 103.4702 41.60485 3.664575       4.314759  2.594678       3.892387  7.471405       65.63689 
1 1 1 -6  14  19 o 76.54554 35.05291 -3.358810      3.826441  3.479798       3.677281  -30.35162      56.80475 
1 1 1 -6  14  20 o 69.25532 32.50245 1.161312       3.716137  -1.827542      3.383105  14.38979       52.92450 
1 1 1 -6  14  21 o 94.63194 38.62740 1.832559       3.766171  4.569205       3.426424  -15.88776      58.81160 
1 1 1 -6  14  22 o 78.12488 35.01451 1.660345       3.554192  1.630443       3.460494  0.3393326      53.85817 
1 1 1 -6  15  1  o 122.9098 43.40945 2.683741       3.770009  3.963905       4.605539  -17.53043      72.35108 
1 1 1 -6  15  2  o 301.1039 26.96066 22.93142       4.846396  17.85686       5.130759  41.32092       56.93176 
1 1 1 -6  15  3  o 373.0922 21.57727 31.27141       5.109475  31.02018       4.845926  0.7492981      43.87392 
1 1 1 -6  15  4  o 203.6080 33.13110 8.704636       4.046154  10.63485       4.035458  -21.25455      66.55830 
1 1 1 -6  15  5  o 68.08375 32.56700 -4.670574      3.957444  -2.465978      3.831957  -7.860130      57.26066 
1 1 1 -6  15  6  o 581.0888 22.74228 73.99003       9.933024  76.43575       7.117350  -18.71960      49.26153 
1 1 1 -6  15  7  o 524.3372 19.86040 60.50168       6.523216  62.02410       6.375446  -7.093506      40.15723 
1 1 1 -6  15  8  o 108.2365 43.04102 -1.495411      4.560662  4.337584       4.122896  -37.01242      69.74448 
1 1 1 -6  15  9  x ?        ?        -26.59398      5.367661  -18.12008      4.330801  ?              ?        
1 1 1 -6  15  10 o 94.00069 40.05374 3.610306       4.561152  -1.750118      3.764071  43.88811       67.58077 
1 1 1 -6  15  11 o 245.7467 36.44544 12.62184       7.608807  15.22029       4.401083  -42.00854      81.84396 
1 1 1 -6  15  12 o 139.3842 43.88985 5.694860       4.364345  4.319449       4.117129  13.12329       73.52308 
1 1 1 -6  15  13 o 122.4920 42.78727 1.480578       4.199077  5.654878       3.827890  -32.97013      69.01761 
1 1 1 -6  15  14 o 130.4809 43.59077 5.452958       4.577626  4.068147       3.812283  12.87479       72.15730 
1 1 1 -6  15  15 o 106.8427 41.34236 4.344210       4.296315  1.733467       3.594556  21.95418       67.09222 
1 1 1 -6  15  16 o 93.28194 39.51707 4.062549       4.544606  0.2906139      3.550436  26.78339       64.39264 
1 1 1 -6  15  17 o 77.66181 35.99904 -3.859751      4.266117  2.268677       4.004174  -24.09274      59.07041 
1 1 1 -6  15  18 o 97.83352 40.88027 1.953680       4.391905  3.425083       3.933130  -6.964920      63.67421 
1 1 1 -6  15  19 o 67.16727 32.18268 -2.049433      4.193227  -0.8588052     3.558227  0.1806335      52.45644 
1 1 1 -6  15  20 o 132.5091 42.98236 9.708842       4.395215  4.613470       3.757271  31.66613       68.74296 
1 1 1 -6  15  21 o 83.10262 37.22056 -3.139103      4.004240  7.339918       3.907473  -45.06248      58.05003 
1 1 1 -6  15  22 o 66.36985 31.95414 -3.695640      4.123857  2.240652       3.687964  -15.56152      50.49279 
1 1 1 -6  16  1  o 179.2367 45.37175 7.094530       4.590133  8.885417       5.678803  -18.10123      81.38242 
1 1 1 -6  16  2  o 349.0468 27.20132 28.41229       5.707948  26.58322       5.988512  13.41550       56.10176 
1 1 1 -6  16  3  o 149.6157 45.80291 5.347181       4.366689  5.323926       4.994441  -2.665344      77.65607 
1 1 1 -6  16  4  o 181.2616 40.42607 5.577069       4.501827  10.07167       4.360990  -46.19632      73.33465 
1 1 1 -6  16  5  o 123.5607 43.90443 2.810106       4.348481  3.642571       4.112697  -5.171219      72.42979 
1 1 1 -6  16  6  o 225.4899 35.65281 9.718482       4.949187  13.97982       4.702968  -43.56435      72.24500 
1 1 1 -6  16  7  o 392.1207 24.41468 45.24914       6.375490  26.81446       5.532193  105.2706       50.42240 
1 1 1 -6  16  8  o 72.48218 34.59842 -8.271614      4.350163  0.9706563      4.340468  -39.50956      61.48393 
1 1 1 -6  16  9  o 331.6929 25.63319 21.85267       5.254871  28.45504       5.211970  -47.53241      53.80570 
1 1 1 -6  16  10 o 168.0362 43.44599 3.521006       4.817670  10.24385       4.342793  -62.89153      73.52742 
1 1 1 -6  16  11 o 135.7895 44.92508 7.763239       4.975741  2.755362       3.990915  45.45597       74.84952 
1 1 1 -6  16  12 o 257.0079 29.10531 19.31436       4.976536  13.29414       4.230896  48.40285       62.23386 
1 1 1 -6  16  13 o 114.5393 43.06239 3.415253       4.626690  3.129239       3.799766  5.779198       69.98057 
1 1 1 -6  16  14 o 105.6184 42.23948 -0.1635385     4.582413  4.537593       3.882505  -26.44366      67.00224 
1 1 1 -6  16  15 o 204.7465 36.47605 15.66661       5.110929  9.047713       4.011812  49.63094       74.64945 
1 1 1 -6  16  16 f 93.70516 40.12622 2.458515       4.486666  1.315815       3.891346  8.770187       63.96594 
1 1 1 -6  16  17 o 104.7320 42.15451 5.333159       4.586411  2.110975       3.898097  19.42874       66.32251 
1 1 1 -6  16  18 o 89.79127 38.91024 2.167097       4.353908  2.192674       3.720226  1.407692       60.53918 
1 1 1 -6  16  19 o 88.25679 38.45391 4.751796       4.334054  0.7977540      3.654311  19.32100       59.78022 
1 1 1 -6  16  20 o 64.16748 31.20458 -1.711737      4.329365  -1.418794      3.654243  2.734001       50.30163 
1 1 1 -6  16  21 o 114.0037 43.06190 4.930408       4.425304  7.380373       3.943204  -16.31352      63.43977 
1 1 1 -6  17  1  o 137.8702 48.63136 7.935796       4.734542  -1.039769      5.771301  57.54611       76.71432 
1 1 1 -6  17  2  o 226.4499 38.87330 14.88027       4.841578  8.548643       5.820577  63.11276       77.16793 
1 1 1 -6  17  3  o 232.1046 38.11439 14.73053       5.072237  10.63765       5.555418  41.42952       77.00134 
1 1 1 -6  17  4  o 324.1616 28.26490 23.11767       5.314737  25.33366       6.001295  -12.39749      58.93333 
1 1 1 -6  17  5  o 287.2304 31.67578 19.95488       5.355307  18.35316       5.768082  16.21005       67.28716 
1 1 1 -6  17  6  o 269.4186 30.04442 19.94661       5.158654  14.30090       4.739635  47.27515       63.37648 
1 1 1 -6  17  7  f 231.1564 34.29819 11.46892       4.834124  13.99181       4.706703  -26.16325      71.06798 
1 1 1 -6  17  8  o 216.2815 34.42367 7.486493       4.436298  15.17571       4.491767  -78.44264      68.82613 
1 1 1 -6  17  9  o 102.4431 41.67818 -1.822145      4.107260  5.204474       4.207128  -49.51176      67.51369 
1 1 1 -6  17  10 o 293.9938 28.58728 19.96662       5.310506  20.93808       4.999047  -11.15375      61.19468 
1 1 1 -6  17  11 o 70.77594 33.89228 -3.894725      4.359482  -2.563950      4.133399  -2.620148      58.25294 
1 1 1 -6  17  12 o 81.25753 37.14884 0.5355293      4.387721  -1.971537      4.013875  15.58242       62.08014 
1 1 1 -6  17  13 o 78.69088 36.23207 -6.966487      4.236652  4.387566       3.942365  -51.65440      60.66759 
1 1 1 -6  17  14 o 88.06611 38.70803 0.3598738      4.507039  1.383799       3.757295  -0.6442261     62.23479 
1 1 1 -6  17  15 o 152.2766 44.56583 7.986391       4.847612  7.203945       4.179998  1.574570       74.97653 
1 1 1 -6  17  16 o 103.0609 42.36764 0.6258771      4.559138  5.411532       4.168423  -25.54568      65.73695 
1 1 1 -6  17  17 o 105.7614 42.03022 4.872491       4.605103  3.404062       3.764686  7.617279       65.13375 
1 1 1 -6  17  18 o 139.2440 45.51491 3.623968       4.684641  11.92476       4.379514  -57.07792      69.42322 
1 1 1 -6  17  19 o 60.88945 30.03064 -3.562636      4.457063  -2.421345      3.770972  1.370735       49.32749 
1 1 1 -6  17  20 o 104.0845 41.99294 5.134104       4.549689  5.583976       3.886496  -5.219498      61.41542 
1 1 1 -6  17  21 f 77.07825 35.81582 0.6690114      4.505739  3.146739       3.827278  -7.230545      53.47128 
1 1 1 -6  18  1  o 77.74218 36.83530 -2.215166      4.245986  -5.034628      5.476336  -2.945572      63.74390 
1 1 1 -6  18  2  o 97.44610 42.30874 1.152007       4.246847  -1.301920      5.481588  1.328651       70.25294 
1 1 1 -6  18  3  o 152.8960 48.50766 6.587860       4.661821  5.097065       5.875545  8.610916       81.15017 
1 1 1 -6  18  4  o 204.2315 42.52879 9.628837       4.785888  11.83782       5.778575  -16.49904      81.45709 
1 1 1 -6  18  5  o 74.89644 35.63647 -1.949356      4.205551  -5.270730      4.955086  4.355232       61.52371 
1 1 1 -6  18  6  o 169.2150 46.29318 6.601110       4.846386  8.628479       5.167011  -17.90073      80.46239 
1 1 1 -6  18  7  o 77.56067 36.18287 -3.013427      4.214695  -1.075822      4.341081  -10.24963      61.65882 
1 1 1 -6  18  8  o 117.5727 43.87319 4.249868       4.403655  2.310159       4.191847  15.75545       71.35722 
1 1 1 -6  18  9  o 139.3978 43.93891 4.003708       4.162014  6.616311       4.330569  -23.26139      73.08994 
1 1 1 -6  18  10 o 164.1805 43.12398 7.067800       4.398252  7.862438       4.498910  -7.141327      75.91903 
1 1 1 -6  18  11 o 222.3652 37.06695 10.44033       4.926506  15.58040       4.939610  -50.86307      75.82938 
1 1 1 -6  18  12 o 117.9709 43.98860 0.8896395      4.407941  6.830540       4.227421  -41.27734      69.37678 
1 1 1 -6  18  13 o 160.9966 44.17898 8.449430       4.697878  7.958741       4.405927  1.761124       76.07924 
1 1 1 -6  18  14 o 93.64973 40.16964 4.117476       4.441651  0.1181551      3.958479  23.33880       64.16062 
1 1 1 -6  18  15 o 108.2781 43.34483 5.674212       4.599942  2.323005       4.251944  19.28146       67.59650 
1 1 1 -6  18  16 o 79.88254 36.86128 0.9001680E-01  4.744756  0.7771109      3.895034  1.101295       58.37471 
1 1 1 -6  18  17 f 84.30592 38.14791 -0.8098512     4.613721  3.753548       4.004521  -16.19380      58.70002 
1 1 1 -6  18  18 f 95.68502 40.57471 -0.5822788     4.579752  6.804199       3.866646  -34.11681      60.76333 
1 1 1 -6  18  19 o 68.37309 33.01934 0.5300342      4.738075  -0.8564439     3.853715  6.392784       51.73886 
1 1 1 -6  18  20 o 71.65276 34.02530 2.580588       4.695736  -0.3058163E-01 3.675122  9.156166       52.29647 
1 1 1 -6  18  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -6  19  1  o 152.4054 48.14149 4.339388       4.606091  9.481089       5.773058  -41.59108      80.93212 
1 1 1 -6  19  2  o 91.12570 41.00847 -2.935727      4.311090  3.599187       5.705954  -44.29210      70.66711 
1 1 1 -6  19  3  o 186.8853 54.36682 10.12296       4.723638  0.000000       0.000000  ?              ?        
1 1 1 -6  19  4  o 129.1616 47.93276 4.512791       4.531900  3.622115       5.992013  0.1550751      78.01836 
1 1 1 -6  19  5  o 78.32482 36.96880 -4.091811      4.078267  0.3266967      5.713558  -33.73537      65.51469 
1 1 1 -6  19  6  o 76.35446 36.09980 -1.809453      4.249544  -3.543464      4.828672  0.9181442      61.37184 
1 1 1 -6  19  7  o 121.9357 46.49782 5.403417       4.658623  1.731655       5.141823  22.12714       74.35863 
1 1 1 -6  19  8  o 211.1402 41.25401 14.71968       4.932364  8.580851       5.539072  62.71075       78.57632 
1 1 1 -6  19  9  o 115.4130 44.24967 1.465614       4.423758  5.471701       4.451240  -27.42825      70.74688 
1 1 1 -6  19  10 o 106.4266 41.86362 2.638591       4.012887  3.046063       4.090533  -3.088356      66.99246 
1 1 1 -6  19  11 o 77.65157 35.82663 1.510972       4.093075  -2.568636      3.950370  19.51060       59.14501 
1 1 1 -6  19  12 o 83.33298 37.94436 -1.312659      4.573062  1.480001       4.093324  -9.126297      61.02567 
1 1 1 -6  19  13 o 130.3580 46.25668 0.9090773      4.639116  11.21393       4.740862  -69.06046      71.32009 
1 1 1 -6  19  14 o 81.24800 37.31039 -2.211155      4.501241  2.501747       4.103256  -16.94293      59.53539 
1 1 1 -6  19  15 o 90.41699 39.85252 3.532720       4.567295  1.163667       4.168809  11.17116       61.81422 
1 1 1 -6  19  16 o 106.2568 42.75282 5.798053       4.526006  3.900550       4.137917  8.614578       64.44727 
1 1 1 -6  19  17 o 91.17184 40.09363 2.026919       4.635065  4.371064       4.169718  -9.388420      59.96492 
1 1 1 -6  19  18 o 73.62799 35.20390 -1.016646      4.844045  1.947598       4.284597  -6.551308      53.94305 
1 1 1 -6  19  19 o 69.90823 33.45082 1.835173       4.589993  -0.1833276     3.761939  7.177834       51.44959 
1 1 1 -6  19  20 o 63.94238 31.36802 0.3868294      4.784974  -0.9016769     3.865120  4.863129       48.40515 
1 1 1 -6  20  1  o 101.2660 46.12852 -3.465954      5.924580  4.934531       6.966938  -36.80882      76.35497 
1 1 1 -6  20  2  o 89.27257 42.38382 -0.9986902     6.016265  -4.961355      6.733135  7.145813       70.41991 
1 1 1 -6  20  3  o 152.7555 53.91650 11.36491       6.757403  4.117103       6.031681  43.45840       86.50392 
1 1 1 -6  20  4  o 124.0460 48.67577 7.301738       5.064882  -0.3637253     5.978850  40.18844       76.22047 
1 1 1 -6  20  5  o 82.72258 38.54904 -2.840360      4.266637  0.9457130      5.708084  -26.55025      65.87310 
1 1 1 -6  20  6  o 105.9213 44.98350 0.5932836      4.617249  4.686540       5.919730  -26.49794      73.22520 
1 1 1 -6  20  7  f 103.6338 44.06183 2.999820       4.651132  0.9951117      5.313987  7.087700       70.15078 
1 1 1 -6  20  8  o 86.71815 39.74660 -4.688022      4.312982  7.422263       5.609427  -61.21746      68.65289 
1 1 1 -6  20  9  o 75.38084 36.09893 -0.6537201     4.535347  -4.478756      5.149751  7.786285       59.82510 
1 1 1 -6  20  10 f 79.65976 37.36304 0.9578161      4.639692  -2.861030      4.687111  13.71997       61.05079 
1 1 1 -6  20  11 o 115.6437 43.88887 -0.8140714E-01 4.304581  8.893466       4.370169  -59.13487      68.08268 
1 1 1 -6  20  12 o 100.4984 41.78369 0.3298043      4.320632  5.490942       4.274119  -28.16381      65.27794 
1 1 1 -6  20  13 o 76.78356 36.78547 -1.306359      4.505483  -0.9544386     5.731440  -6.659599      59.33239 
1 1 1 -6  20  14 o 80.28796 37.05109 -2.436966      4.515569  3.501180       4.117303  -20.63069      58.28505 
1 1 1 -6  20  15 o 76.08234 35.81596 2.887013       4.627174  -1.402916      4.124140  15.45326       56.40949 
1 1 1 -6  20  16 o 81.82051 37.34483 4.664108       4.539488  -0.6012560E-01 3.943338  18.02843       57.55692 
1 1 1 -6  20  17 f 57.01977 28.52414 -0.3750458     4.462067  -6.647572      4.022449  14.96074       47.51601 
1 1 1 -6  20  18 o 75.63891 35.84255 1.946565       4.802404  1.885107       4.240642  0.5126572      53.40160 
1 1 1 -6  20  19 o 83.46085 38.31506 4.884973       4.882605  3.650220       4.224308  2.096230       54.74240 
1 1 1 -6  21  1  o 99.88286 46.54961 0.7531650E-02  6.674953  -1.022459      7.495334  -0.5973206     74.88412 
1 1 1 -6  21  2  o 91.24518 43.58661 -2.301870      6.380044  -2.743088      7.633270  -5.344353      71.48196 
1 1 1 -6  21  3  o 99.38216 45.43630 0.9744230      6.576038  0.1300153      5.996274  5.491768       72.79288 
1 1 1 -6  21  4  o 113.6154 46.72550 5.516969       4.757434  0.2492628      6.067347  22.36539       72.88562 
1 1 1 -6  21  5  o 92.24394 43.75718 0.1351513      6.413859  -3.272917      7.107838  6.018295       70.60249 
1 1 1 -6  21  6  o 91.30585 43.14881 -1.684759      6.327686  -0.3664076     6.540576  -4.733932      69.52626 
1 1 1 -6  21  7  o 107.1719 47.94555 -0.2719094E-02 6.375758  5.387243       6.722447  -19.51323      75.03797 
1 1 1 -6  21  8  o 121.4207 52.90817 -2.344001      7.571126  12.62969       7.393672  -50.27048      81.17855 
1 1 1 -6  21  9  o 103.8084 47.45712 2.407265       6.807092  2.361853       6.862403  0.2760315E-01  73.22643 
1 1 1 -6  21  10 o 82.75896 40.43872 -2.605208      7.398356  -3.034605      6.423423  4.545921       65.01052 
1 1 1 -6  21  11 o 90.37801 42.55983 4.150266       6.333216  -1.944751      5.995014  17.11873       66.47845 
1 1 1 -6  21  12 o 86.81200 41.12296 -4.655472      5.614871  7.733291       6.251937  -34.49086      65.60532 
1 1 1 -6  21  13 o 90.40325 44.02862 1.960169       5.616496  0.000000       0.000000  ?              ?        
1 1 1 -6  21  14 o 72.48166 35.22173 0.7692537      6.653184  -1.344463      4.181070  11.08296       56.00346 
1 1 1 -6  21  15 o 63.10343 31.43909 -11.73960      6.090540  0.4765005      4.224835  -12.64701      50.84778 
1 1 1 -6  21  16 o 72.53805 35.19726 3.079131       7.124732  -0.3069478     4.019473  10.11600       54.43315 
1 1 1 -6  21  17 o 61.56427 30.59658 -1.463302      4.905777  -2.266124      4.236192  3.613953       48.10638 
1 1 1 -6  21  18 o 67.20952 32.98631 4.796958       5.179384  -2.471672      4.363873  14.73524       50.40429 
1 1 1 -6  22  1  o 99.26888 43.79037 4.922107       4.832586  -2.363880      5.846588  26.11237       68.58884 
1 1 1 -6  22  2  o 82.90939 38.56231 0.2881966      4.587906  -1.472753      5.044546  3.781845       62.44086 
1 1 1 -6  22  3  o 89.53691 40.59038 2.678367       4.596721  -1.839417      5.196795  15.19083       64.69313 
1 1 1 -6  22  4  o 94.55985 42.44876 1.940399       4.860054  0.6914498      5.563449  2.232681       66.99961 
1 1 1 -6  22  5  o 113.0583 52.87414 3.950539       6.523227  0.000000       0.000000  ?              ?        
1 1 1 -6  22  6  o 81.31742 40.36076 -2.811625      6.328207  -14.18980      11.18867  -2.002808      65.83263 
1 1 1 -6  22  7  o 97.21532 46.57629 4.852463       6.670240  -10.14342      10.83469  17.13938       71.49194 
1 1 1 -6  22  8  f 98.78645 47.13149 4.811148       6.663501  -6.078052      10.91443  12.37012       71.36446 
1 1 1 -6  22  9  o 94.44203 46.03819 7.149841       7.071926  -19.90794      12.71854  24.62704       69.92229 
1 1 1 -6  22  10 o 74.73114 37.57365 -5.155957      6.373678  -9.831875      10.98587  -7.450615      60.72128 
1 1 1 -6  22  11 o 99.30537 46.72751 3.576262       6.388786  7.185062       9.106767  -5.417557      68.41836 
1 1 1 -6  22  12 o 78.65953 39.16456 2.692593       7.013049  -7.432316      8.281224  10.84960       60.07901 
1 1 1 -6  22  13 o 78.89326 38.78944 0.3816684E-01  4.680501  0.000000       0.000000  ?              ?        
1 1 1 -6  22  14 o 75.64258 36.16265 5.486544       4.752934  -3.878678      4.819869  24.48675       56.27512 
1 1 1 -6  22  15 o 61.25912 30.48945 -2.717146      4.591473  -1.851315      4.547541  -1.451134      48.13351 
1 1 1 -6  22  16 o 60.99166 30.60909 -4.193628      4.576539  -0.6128950     5.722624  -8.342468      48.33517 
1 1 1 -6  22  17 o 57.33456 28.98584 -4.549273      4.420127  -1.762787      5.926968  -7.358326      45.82087 
1 1 1 -6  23  1  o 96.67225 46.77124 0.000000       0.000000  0.2129277      6.067016  ?              ?        
1 1 1 -6  23  2  o 113.7579 45.84282 5.373584       4.734713  4.107541       5.254261  6.816193       70.04591 
1 1 1 -6  23  3  o 103.9079 44.27929 4.457854       4.721494  2.652640       5.379572  7.461876       67.65316 
1 1 1 -6  23  4  f 71.18952 34.56102 -2.231499      4.564805  -2.479387      5.052159  -2.143211      56.47215 
1 1 1 -6  23  5  o 79.15289 37.40629 -0.8604239     4.487494  0.5048392      5.275328  -7.600876      59.68501 
1 1 1 -6  23  6  o 92.70265 42.08723 4.011949       4.767555  -0.2529115     5.940848  12.00562       64.27414 
1 1 1 -6  23  7  o 84.62423 39.45327 1.662728       4.587960  0.2403032      5.749791  1.304375       61.10152 
1 1 1 -6  23  8  o 110.1262 46.11283 7.600826       4.763671  2.488719       6.037328  22.38667       67.75449 
1 1 1 -6  23  9  o 91.75925 43.34981 2.553990       5.008028  5.446460       11.37840  -5.390877      65.29395 
1 1 1 -6  23  10 o 76.94807 37.08181 1.820232       4.842587  -2.620222      5.820523  7.759277       57.40231 
1 1 1 -6  23  11 o 71.67200 35.03912 -0.7153533     4.692021  -1.920192      5.829650  -1.025337      54.99745 
1 1 1 -6  23  12 o 68.17304 34.27042 -2.809367      7.347745  -4.586907      5.848785  5.910988       53.99460 
1 1 1 -6  23  13 o 67.39609 33.75903 -2.129691      4.249025  0.000000       0.000000  ?              ?        
1 1 1 -6  23  14 o 61.80977 30.82881 -0.5097733     4.462718  -4.458109      5.166990  4.517281       48.32362 
1 1 1 -6  23  15 o 78.83598 37.37904 0.9247821      4.546417  7.025562       5.358420  -12.85748      54.38810 
1 1 1 -6  23  16 o 64.49782 32.84366 0.7784954      6.648034  -6.238120      8.128841  3.913940       49.01863 
1 1 1 -6  24  1  o 75.55438 36.69462 -5.258949      5.032208  3.195682       5.898079  -24.14386      60.12404 
1 1 1 -6  24  2  o 99.46378 44.23423 4.250642       5.239945  3.037540       5.763729  4.076530       66.46576 
1 1 1 -6  24  3  o 102.6701 44.91462 4.351070       5.001484  4.097083       6.011386  1.355507       67.24154 
1 1 1 -6  24  4  o 80.58282 37.91127 -0.9789684     4.528973  2.270180       5.289133  -12.49279      59.84210 
1 1 1 -6  24  5  o 77.65398 37.15629 1.806155       4.702644  -3.375137      5.555798  10.69606       58.45206 
1 1 1 -6  24  6  o 90.18051 41.34936 3.115927       5.114609  1.845093       5.375071  3.705261       62.57164 
1 1 1 -6  24  7  o 73.01794 35.39908 -1.665913      4.561831  -0.1123946E-01 5.537295  -7.417839      56.13756 
1 1 1 -6  24  8  o 75.89304 36.87571 -1.486008      4.662958  2.320404       6.982164  -12.44549      57.97894 
1 1 1 -6  24  9  o 89.45377 40.96379 5.480814       4.636323  0.6973736      5.797637  13.91409       60.19155 
1 1 1 -6  24  10 o 75.77388 36.55179 0.4131902      4.583568  2.185630       5.981987  -5.469902      55.39191 
1 1 1 -6  24  11 o 63.80032 31.90993 -3.734258      4.811589  -1.248309      5.907755  -6.908669      50.36979 
1 1 1 -6  24  12 o 69.79536 35.02254 -3.398749      7.809427  0.5434901E-01  5.829142  -1.306404      52.87761 
1 1 1 -6  24  13 o 67.49175 33.52959 2.006630       4.585578  -5.372739      7.000300  6.473709       50.51915 
1 1 1 -6  24  14 o 64.03738 31.74287 -1.482076      4.390709  1.584203       5.239357  -6.390221      48.23092 
1 1 1 -6  25  1  o 114.7083 47.59660 2.591613       5.183364  12.14161       6.033485  -34.36432      70.94740 
1 1 1 -6  25  2  o 90.46023 42.16481 0.8358852      5.369379  5.565388       6.321851  -12.72504      63.57530 
1 1 1 -6  25  3  o 70.21687 34.54470 -0.9173494     5.047607  -3.679872      5.538676  3.835068       54.91462 
1 1 1 -6  25  4  o 78.42696 38.04050 0.6198040      4.953839  -1.121705      7.189570  -1.139305      58.58359 
1 1 1 -6  25  5  o 86.24735 40.14260 5.706033       4.936140  -1.454116      5.548630  19.49333       60.41241 
1 1 1 -6  25  6  o 63.49651 31.61610 -4.561689      4.710225  -1.904519      5.193451  -7.036354      51.09618 
1 1 1 -6  25  7  o 63.48494 31.61737 -1.042453      4.686229  -5.674459      5.254232  6.171379       50.61383 
1 1 1 -6  25  8  o 78.48476 37.40903 -0.3442425     4.713615  4.637824       5.448961  -12.53648      56.51124 
1 1 1 -6  25  9  o 58.77912 29.61797 -5.335549      4.535013  -3.111795      5.611403  -7.326656      47.93821 
1 1 1 -6  25  10 o 65.56125 33.11559 -2.882004      4.935952  -3.651001      11.98796  -7.920670      51.52494 
1 1 1 -6  25  11 o 70.52964 34.69473 1.326261       4.844715  0.5802790      5.961792  0.3239212      51.53500 
1 1 1 -6  25  12 o 72.02893 37.36472 0.000000       0.000000  -0.5223657     12.40842  ?              ?        
1 1 1 -5  -25 1  o 125.9412 57.98096 5.762075       11.06598  7.510883       9.923141  -3.663971      85.61994 
1 1 1 -5  -24 1  o 104.1286 51.12931 -3.220067      16.30511  -3.253118      9.251667  12.96274       81.45730 
1 1 1 -5  -24 2  o 132.1818 60.99058 26.00497       16.64730  0.8905552      9.483335  38.54118       94.99467 
1 1 1 -5  -24 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -23 1  o 138.8877 61.01968 10.08041       11.04841  4.393791       9.412314  15.80977       93.04736 
1 1 1 -5  -23 2  o 105.0373 50.81262 -8.519033      10.93070  1.258107       9.465949  -13.01205      81.28333 
1 1 1 -5  -23 3  o 119.4591 56.77983 3.667705       15.31799  0.9996676      9.538155  11.65858       88.37289 
1 1 1 -5  -23 4  o 112.9846 55.32730 -4.927276      15.15848  -0.6299344     11.62827  0.5946350      86.06063 
1 1 1 -5  -22 1  o 107.6556 51.47207 -9.167487      10.67563  1.603369       8.952476  -15.90132      83.34745 
1 1 1 -5  -22 2  o 184.0046 67.56471 12.02500       11.12021  14.98243       9.333165  -17.17717      103.1543 
1 1 1 -5  -22 3  o 114.3826 54.73295 -0.1478477     14.63467  -2.242400      9.202886  17.19548       88.51446 
1 1 1 -5  -22 4  o 116.1366 56.34178 -5.183084      14.33659  -0.2555792E-01 11.47628  -1.598831      88.39409 
1 1 1 -5  -22 5  o 131.4931 62.26845 8.485169       14.60344  0.3103902      12.65432  14.78850       94.99451 
1 1 1 -5  -22 6  o 193.9559 71.00565 16.37013       9.682870  19.65496       13.59222  6.928116       106.3381 
1 1 1 -5  -21 1  o 158.2841 68.30734 8.129749       10.35618  5.143428       15.69996  1.510757       106.2407 
1 1 1 -5  -21 2  o 147.0108 68.96419 0.4248901E-01  16.30750  6.728935       15.51862  -10.05864      106.2240 
1 1 1 -5  -21 3  o 166.0651 78.82971 0.000000       0.000000  12.43469       15.50663  ?              ?        
1 1 1 -5  -21 4  o 155.9830 74.97506 10.01242       14.98965  0.000000       0.000000  ?              ?        
1 1 1 -5  -21 5  o 147.9539 71.68087 5.321987       14.37584  0.000000       0.000000  ?              ?        
1 1 1 -5  -21 6  f 105.9940 51.72978 -3.518385      9.125224  -8.946255      15.53528  -10.88113      84.43494 
1 1 1 -5  -21 7  o 114.4892 53.67625 -0.8221116     8.980142  2.164570       10.38586  -10.61578      84.97582 
1 1 1 -5  -20 1  o 109.8278 53.63593 6.219790       14.12667  -17.95876      10.63953  60.81436       95.78060 
1 1 1 -5  -20 2  o 170.6116 74.15609 15.36470       14.83518  3.161992       14.41099  30.49344       114.2898 
1 1 1 -5  -20 3  o 155.3648 69.72967 5.825397       14.04728  4.807794       13.87289  2.638535       108.4598 
1 1 1 -5  -20 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -20 5  o 186.3592 85.98804 21.38976       16.37833  0.000000       0.000000  ?              ?        
1 1 1 -5  -20 6  o 116.1965 53.69521 2.492914       8.574853  -2.830532      9.689855  10.15089       85.90548 
1 1 1 -5  -20 7  o 131.3246 58.42185 -2.241525      11.67249  7.299007       8.307934  -18.86713      90.36260 
1 1 1 -5  -20 8  o 149.9442 66.03571 8.198747       8.437799  0.000000       0.000000  ?              ?        
1 1 1 -5  -19 1  o 199.3606 68.11963 9.275856       10.24065  13.50627       10.00026  -21.72971      110.6424 
1 1 1 -5  -19 2  o 305.9297 57.52165 35.44801       11.20565  17.50662       9.939005  108.6997       111.4667 
1 1 1 -5  -19 3  o 188.0528 76.10132 7.318210       14.46373  15.73324       13.17070  -25.78157      117.3705 
1 1 1 -5  -19 4  o 116.1019 56.75705 -8.800164      14.04491  -10.58772      13.11795  6.680176       94.63022 
1 1 1 -5  -19 5  o 150.0285 67.07851 5.495028       11.94698  3.038969       13.82880  2.330933       105.0661 
1 1 1 -5  -19 6  o 112.5439 53.02007 -6.279181      8.931766  3.175355       10.37714  -30.14893      87.82958 
1 1 1 -5  -19 7  o 142.8427 68.59341 0.000000       0.000000  1.566105       12.47818  ?              ?        
1 1 1 -5  -19 8  o 128.8572 62.59604 -2.837426      11.15625  0.000000       0.000000  ?              ?        
1 1 1 -5  -19 9  o 152.0692 62.65673 -0.7384757     12.28558  11.64074       8.075832  -35.95425      94.99596 
1 1 1 -5  -19 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -18 1  o 149.1846 63.18044 5.100300       10.49239  0.5353434      9.765229  21.77475       103.3599 
1 1 1 -5  -18 2  o 344.1165 54.09469 32.06448       11.97369  28.70551       10.50339  10.48306       113.7107 
1 1 1 -5  -18 3  o 279.9341 72.93867 38.15918       16.48265  16.71078       10.81909  85.52634       132.6783 
1 1 1 -5  -18 4  o 181.5663 83.29295 6.401509       15.06011  0.000000       0.000000  ?              ?        
1 1 1 -5  -18 5  o 141.1784 68.05322 -5.386916      12.55815  0.000000       0.000000  ?              ?        
1 1 1 -5  -18 6  o 136.4243 61.52290 -2.513495      11.73613  4.560033       10.41154  -14.94305      98.53894 
1 1 1 -5  -18 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -18 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -18 9  o 168.5002 65.41501 0.3717072      9.041503  23.07326       10.74939  -93.98804      103.2258 
1 1 1 -5  -18 10 o 117.1791 53.68267 -1.877515      8.551219  3.841751       9.086404  -18.37620      86.01798 
1 1 1 -5  -18 11 o 152.6232 67.38135 0.000000       0.000000  8.434046       8.836321  ?              ?        
1 1 1 -5  -17 1  o 336.1474 54.84352 24.97149       10.99546  30.28385       11.08911  -35.06570      111.7873 
1 1 1 -5  -17 2  o 378.7580 59.07815 42.60038       16.47982  32.64445       11.61665  27.32651       126.6043 
1 1 1 -5  -17 3  o 197.5900 74.93089 11.80734       11.32019  6.673368       14.55102  12.69328       120.6499 
1 1 1 -5  -17 4  o 187.1008 71.19946 11.08364       9.963008  5.165731       13.83187  14.76437       114.3268 
1 1 1 -5  -17 5  o 193.4254 70.70134 9.808661       9.541243  12.41141       13.61877  -15.35718      115.3438 
1 1 1 -5  -17 6  o 420.8241 47.49300 49.29109       10.44150  37.80986       15.23954  126.3881       114.9665 
1 1 1 -5  -17 7  o 170.7952 68.93051 7.308187       10.70364  9.279882       11.92423  -9.059845      108.8485 
1 1 1 -5  -17 8  o 151.2807 64.90996 6.466087       11.50852  4.514481       10.41157  8.604736       102.3068 
1 1 1 -5  -17 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -17 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -17 11 f 142.5823 60.03915 8.704129       9.111641  3.057942       8.978055  20.59465       93.65638 
1 1 1 -5  -17 12 o 147.3462 60.06855 10.97335       8.945688  3.469900       8.389878  29.94514       93.62160 
1 1 1 -5  -16 1  o 352.2331 49.53174 32.51800       10.61878  26.03872       10.43172  42.29175       102.9165 
1 1 1 -5  -16 2  o 108.9677 52.88885 -10.23532      11.06662  -13.51110      11.33758  5.287827       93.03941 
1 1 1 -5  -16 3  o 496.2241 54.13937 0.000000       0.000000  59.45406       11.59307  ?              ?        
1 1 1 -5  -16 4  o 241.6245 63.79278 10.84405       9.734843  19.60844       9.666924  -57.14233      110.5331 
1 1 1 -5  -16 5  o 177.1245 74.06133 0.000000       0.000000  5.859136       9.625999  ?              ?        
1 1 1 -5  -16 6  o 238.3370 59.48272 17.73009       8.404222  12.41013       9.178458  38.83998       105.5710 
1 1 1 -5  -16 7  o 178.1339 66.61632 5.282422       12.39198  10.75648       8.496529  -17.19336      106.3282 
1 1 1 -5  -16 8  o 143.8176 56.82753 5.636902       7.049752  3.611557       8.036879  6.342087       91.38339 
1 1 1 -5  -16 9  o 147.7996 63.08252 4.731402       7.222426  0.000000       0.000000  ?              ?        
1 1 1 -5  -16 10 o 194.2279 58.00740 11.94078       7.583842  11.09940       7.461689  5.088562       97.35294 
1 1 1 -5  -16 11 o 151.3202 61.35548 15.66597       14.16014  4.332344       7.096020  43.90552       103.2516 
1 1 1 -5  -16 12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -16 13 o 125.5830 57.57563 1.877583       7.181122  0.000000       0.000000  ?              ?        
1 1 1 -5  -15 1  o 264.1765 55.12891 28.99006       8.880364  5.652506       8.609365  163.1027       94.51488 
1 1 1 -5  -15 2  o 166.9939 64.83978 8.951127       9.460673  0.6593350      9.777426  39.13789       105.7032 
1 1 1 -5  -15 3  o 168.0766 62.95081 7.601258       9.088601  3.771186       8.641308  23.37195       103.3783 
1 1 1 -5  -15 4  o 160.6466 61.47659 9.330018       7.928097  -1.180884      9.356982  45.94708       98.97560 
1 1 1 -5  -15 5  o 422.5450 35.30426 41.95989       8.211516  39.52073       10.56563  25.31689       77.44411 
1 1 1 -5  -15 6  o 131.4349 54.03551 2.881641       6.834833  1.635435       7.348140  2.810699       88.60750 
1 1 1 -5  -15 7  o 134.5768 52.67043 2.021083       5.961118  5.428861       6.914834  -25.79808      86.45771 
1 1 1 -5  -15 8  o 289.1365 38.29027 20.51842       6.544072  20.05419       6.865446  6.696716       81.68279 
1 1 1 -5  -15 9  o 190.4195 56.51630 7.416901       6.208367  15.43342       8.739632  -51.60390      97.85762 
1 1 1 -5  -15 10 o 116.8082 48.96299 3.012372       6.016887  1.132457       5.928963  10.23611       79.47606 
1 1 1 -5  -15 11 o 166.4604 51.14019 15.92577       6.055990  1.141635       5.554907  110.0529       79.76617 
1 1 1 -5  -15 12 o 263.2549 38.45314 15.73562       5.973312  19.69049       6.222779  -32.35196      81.88084 
1 1 1 -5  -15 13 o 117.7554 48.22331 4.408546       5.849379  1.811068       5.395874  16.00663       77.48243 
1 1 1 -5  -15 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -14 1  o 562.8130 26.69088 69.60563       9.111848  71.82008       9.483044  -8.300049      54.04070 
1 1 1 -5  -14 2  o 98.94762 46.90437 -7.889786      7.775623  -3.998321      7.649028  -11.42191      81.72537 
1 1 1 -5  -14 3  o 145.8984 60.05795 3.781524       8.815258  0.9139749      8.701073  14.39923       99.10228 
1 1 1 -5  -14 4  o 420.8305 30.15682 36.56664       6.798297  46.05806       9.506159  -44.39352      63.24278 
1 1 1 -5  -14 5  o 69.13259 34.64655 -11.40028      6.292893  -13.49849      6.445124  2.973412       63.73313 
1 1 1 -5  -14 6  o 517.4815 24.62398 65.77718       8.054309  54.62928       7.719792  48.89832       50.01941 
1 1 1 -5  -14 7  o 195.3200 49.12350 10.91528       5.794812  7.879794       6.108126  26.10030       87.12424 
1 1 1 -5  -14 8  o 218.4572 45.81971 11.87087       6.224720  11.83980       5.817200  -1.017471      86.85707 
1 1 1 -5  -14 9  o 198.9456 61.94229 11.12617       5.982311  0.000000       0.000000  ?              ?        
1 1 1 -5  -14 10 o 136.4386 48.67165 -1.031687      5.385959  9.376280       5.028404  -72.32186      76.03628 
1 1 1 -5  -14 11 o 109.0518 45.51445 2.380214       5.161672  0.9602138      5.093685  8.613991       74.20175 
1 1 1 -5  -14 12 o 191.8354 45.88849 17.15191       5.557800  3.629111       5.231420  114.9855       76.19452 
1 1 1 -5  -14 13 o 113.7175 45.86112 3.184643       4.881335  2.014747       5.089877  5.899681       74.02190 
1 1 1 -5  -14 14 o 98.20868 42.77671 0.1870679      4.837126  1.488392       4.936371  -7.386467      69.70388 
1 1 1 -5  -13 1  o 619.5774 22.80456 81.38468       8.818364  88.61908       8.682569  -27.05072      46.01462 
1 1 1 -5  -13 2  o 237.2951 52.40508 14.00203       7.627906  12.92210       7.392963  8.650635       97.08618 
1 1 1 -5  -13 3  o 490.3407 27.86065 57.75254       8.444724  49.81387       8.434206  37.55484       56.74139 
1 1 1 -5  -13 4  o 280.5284 44.77397 15.64332       7.223288  21.72792       7.878701  -46.67111      90.18418 
1 1 1 -5  -13 5  o 431.4190 34.07346 38.47332       7.846158  49.07030       11.04031  -47.09045      71.88482 
1 1 1 -5  -13 6  o 449.6640 34.60773 38.01117       8.381495  60.54008       11.50026  -104.1441      71.34656 
1 1 1 -5  -13 7  o 554.9390 27.92709 68.96808       8.644608  69.74438       10.91215  3.774353       58.49735 
1 1 1 -5  -13 8  o 128.0624 58.56110 0.000000       0.000000  -2.836584      7.365514  ?              ?        
1 1 1 -5  -13 9  f 353.5411 43.19070 30.13758       6.558891  0.000000       0.000000  ?              ?        
1 1 1 -5  -13 10 o 210.7413 47.56154 11.52199       5.727549  11.29236       6.481090  4.673798       88.31606 
1 1 1 -5  -13 11 o 143.8248 51.18935 3.916251       5.474096  6.678229       6.064077  -21.17482      83.81541 
1 1 1 -5  -13 12 o 217.3409 49.14264 10.12884       6.417737  15.38779       6.522521  -43.14226      90.32678 
1 1 1 -5  -13 13 o 77.81448 37.88853 -5.711439      5.838266  -5.544549      5.906917  -1.097519      65.47250 
1 1 1 -5  -13 14 o 187.2577 47.27808 11.79527       5.680076  8.000339       5.321113  31.01416       84.05954 
1 1 1 -5  -13 15 o 139.9241 49.57844 5.933132       5.540895  5.258515       5.241755  4.953125       80.19668 
1 1 1 -5  -12 1  o 194.1362 52.90092 11.56808       6.920039  6.839507       6.221509  40.34103       91.72604 
1 1 1 -5  -12 2  o 423.4739 27.11570 40.18541       7.344492  39.76237       6.852264  1.344086       55.14130 
1 1 1 -5  -12 3  o 150.9943 53.92801 3.702042       6.573458  5.473277       6.208590  -9.606552      89.04250 
1 1 1 -5  -12 4  o 241.3840 45.30013 7.198547       6.272753  21.37964       6.830795  -118.5278      83.45438 
1 1 1 -5  -12 5  o 748.3450 20.51193 121.6124       9.580159  126.4327       9.447124  -14.99713      41.29747 
1 1 1 -5  -12 6  o 755.3562 21.47585 127.2384       10.27539  125.6165       9.843654  4.269531       43.24629 
1 1 1 -5  -12 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -12 8  o 162.6163 58.89034 0.000000       0.000000  5.723196       5.404009  ?              ?        
1 1 1 -5  -12 9  o 360.2233 28.87273 26.16673       6.218729  33.27210       6.593167  -44.83789      59.74023 
1 1 1 -5  -12 10 o 346.7008 29.15001 25.55209       6.149087  29.70945       6.275154  -27.81134      60.69069 
1 1 1 -5  -12 11 o 397.8666 26.87671 37.62215       6.582631  35.25288       6.606183  14.23657       55.65617 
1 1 1 -5  -12 12 o 394.7860 26.87591 38.90837       6.561092  33.15752       6.524070  34.31741       55.97300 
1 1 1 -5  -12 13 o 161.6262 51.12529 7.269699       5.411821  7.091276       6.138194  1.019470       85.23709 
1 1 1 -5  -12 14 o 116.0803 49.11864 2.532138       5.840733  1.780431       6.400397  0.6449966      79.23498 
1 1 1 -5  -12 15 o 124.0077 51.10930 0.6983460      5.892186  7.284882       6.940885  -36.51346      82.57621 
1 1 1 -5  -12 16 o 101.4430 45.92636 -3.899719      5.684971  5.864359       6.909859  -46.04263      76.99314 
1 1 1 -5  -11 1  o 376.5400 28.37578 26.21299       6.607747  37.37597       6.550860  -69.92682      59.39851 
1 1 1 -5  -11 2  o 1212.105 31.32568 0.000000       0.000000  328.1135       16.64094  ?              ?        
1 1 1 -5  -11 3  o 655.7238 20.52292 86.22997       8.238327  104.2401       8.440561  -62.74066      41.36668 
1 1 1 -5  -11 4  o 142.3633 50.66050 0.8255820E-03  5.401569  8.946551       5.885852  -69.97226      81.95004 
1 1 1 -5  -11 5  o 98.71510 43.66824 -2.519999      5.473701  0.3611412      5.094041  -10.72099      73.73654 
1 1 1 -5  -11 6  o 857.0230 19.95852 163.6418       10.67891  161.3456       10.54344  5.942139       40.16978 
1 1 1 -5  -11 7  o 947.6571 20.75873 200.6320       12.32058  196.7202       12.08881  9.137695       41.76949 
1 1 1 -5  -11 8  o 592.9501 41.61802 80.43389       10.75558  0.000000       0.000000  ?              ?        
1 1 1 -5  -11 9  o 110.8081 45.99257 3.005568       5.327294  -0.7336137     5.070396  25.55164       76.27466 
1 1 1 -5  -11 10 o 377.8060 26.35977 35.08731       6.110587  29.41262       6.167706  35.48221       54.35421 
1 1 1 -5  -11 11 o 155.1469 48.14494 -0.6822765     4.867094  14.17132       5.406913  -123.5184      73.01713 
1 1 1 -5  -11 12 o 126.4320 48.52965 0.5358382      5.292038  6.333406       5.392360  -38.76281      78.51960 
1 1 1 -5  -11 13 o 168.4343 49.09037 6.076252       5.268113  9.190591       5.634271  -25.89009      83.59550 
1 1 1 -5  -11 14 o 110.1568 46.71618 0.8069432      5.447494  2.364348       5.636885  -9.414520      76.05420 
1 1 1 -5  -11 15 f 163.3387 51.76405 10.38109       5.892691  4.968194       5.872809  39.35704       85.00370 
1 1 1 -5  -11 16 o 134.8092 51.93391 3.837914       5.811963  6.445860       6.513197  -16.18979      83.10995 
1 1 1 -5  -11 17 o 196.8074 47.13501 12.33913       5.545774  9.658387       5.821140  24.94031       85.31772 
1 1 1 -5  -10 1  o 505.9113 30.82697 59.49108       9.688392  56.73734       9.569553  12.28922       63.15428 
1 1 1 -5  -10 2  o 712.9368 26.01398 100.2116       10.87174  130.3586       12.21624  -93.91791      52.62312 
1 1 1 -5  -10 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -10 4  o 323.7445 28.09993 22.97396       5.449937  23.95118       5.735699  -6.381622      57.53874 
1 1 1 -5  -10 5  o 1116.771 20.72442 278.2893       14.49946  272.6388       14.21861  11.26904       41.64521 
1 1 1 -5  -10 6  o 325.7384 25.96558 22.05810       5.125643  25.46214       5.284528  -24.00974      53.06087 
1 1 1 -5  -10 7  o 345.9090 25.79012 26.17776       5.361624  27.39747       5.636856  -7.509247      52.59360 
1 1 1 -5  -10 8  o 614.5074 20.73421 79.21409       7.681677  88.51718       8.121448  -34.06342      41.73141 
1 1 1 -5  -10 9  o 218.6605 58.81227 11.70683       5.762934  0.000000       0.000000  ?              ?        
1 1 1 -5  -10 10 o 426.8344 24.51916 36.31740       6.206834  46.13585       6.757683  -51.63287      49.86532 
1 1 1 -5  -10 11 o 284.9312 33.40499 18.33456       5.672103  19.33984       5.920501  -7.040955      70.11613 
1 1 1 -5  -10 12 o 227.3865 66.20161 0.000000       0.000000  14.40168       7.001508  ?              ?        
1 1 1 -5  -10 13 o 163.2465 50.15005 7.042689       5.227580  7.034221       5.983310  -0.8156281     84.53737 
1 1 1 -5  -10 14 o 222.7407 42.51921 16.80943       5.558186  8.132177       5.769042  79.76649       80.42126 
1 1 1 -5  -10 15 o 302.0143 33.71112 17.34055       5.716716  29.38729       6.852672  -83.35522      72.96062 
1 1 1 -5  -10 16 o 126.4071 47.55912 6.210769       4.987618  1.638674       5.150924  29.83131       76.30066 
1 1 1 -5  -10 17 o 154.8261 47.04193 3.888043       4.839743  10.01197       4.996431  -50.13422      77.57008 
1 1 1 -5  -9  1  o 288.8986 46.41843 20.66929       8.275389  19.49279       7.817960  7.008148       94.70094 
1 1 1 -5  -9  2  o 439.1615 33.80408 43.30316       9.790783  44.81996       8.600699  -13.55054      70.94065 
1 1 1 -5  -9  3  o 507.7836 24.23002 58.36181       7.680718  56.80042       7.541516  6.767944       49.06454 
1 1 1 -5  -9  4  o 1098.276 27.76172 276.6610       19.21286  261.0182       18.59896  31.65308       56.00193 
1 1 1 -5  -9  5  o 492.1567 18.30715 51.86205       5.497732  55.17754       5.664694  -15.25314      36.80297 
1 1 1 -5  -9  6  o 476.9000 18.87609 49.23891       5.491117  51.30210       5.658868  -9.719360      37.97098 
1 1 1 -5  -9  7  o 138.2081 43.81300 4.145403       4.051152  4.481801       4.398324  -5.524582      73.76627 
1 1 1 -5  -9  8  o 670.1697 18.51232 92.57603       7.458303  106.9143       7.941574  -48.28839      37.21434 
1 1 1 -5  -9  9  o 204.9790 41.93876 14.30581       5.078655  5.121367       5.230151  86.65736       75.72400 
1 1 1 -5  -9  10 o 142.7776 50.05316 -0.7214449     5.249336  10.38915       5.738868  -87.20911      79.47829 
1 1 1 -5  -9  11 o 573.7339 21.10357 74.02357       7.278787  72.52869       7.738162  7.123230       42.73984 
1 1 1 -5  -9  12 o 155.8571 48.34237 6.840937       4.879922  4.810239       5.490971  14.61853       81.16379 
1 1 1 -5  -9  13 o 160.4172 49.29036 5.872566       4.798593  7.708174       6.234570  -17.89696      84.11658 
1 1 1 -5  -9  14 o 86.59373 39.61229 -0.4651731     4.486496  -2.815418      5.119254  4.225967       66.75860 
1 1 1 -5  -9  15 o 179.2446 45.01319 9.264702       4.748186  7.529815       5.290361  17.43068       80.20260 
1 1 1 -5  -9  16 o 126.3221 47.97602 2.534294       5.104326  5.477580       5.268876  -19.82968      77.35278 
1 1 1 -5  -9  17 o 129.1274 53.54805 0.000000       0.000000  3.968202       4.972300  ?              ?        
1 1 1 -5  -9  18 o 105.7850 43.84272 5.020739       4.601939  -1.069286      4.826232  34.14640       70.21855 
1 1 1 -5  -8  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -8  2  o 362.6596 30.61708 29.93439       4.824941  0.000000       0.000000  ?              ?        
1 1 1 -5  -8  3  o 235.7472 56.68131 12.97559       8.541569  14.81502       7.872469  -14.33514      102.5479 
1 1 1 -5  -8  4  o 346.2665 41.55130 26.77337       9.002118  28.82636       8.512422  -16.48901      87.58321 
1 1 1 -5  -8  5  o 414.8841 24.01581 40.52054       6.148658  36.03465       6.160000  25.04480       48.71943 
1 1 1 -5  -8  6  o 111.6101 44.73867 2.115683       4.598998  0.7210422      4.831114  7.176559       74.09163 
1 1 1 -5  -8  7  o 74.57783 35.10490 -2.050617      4.061130  -4.326882      4.312943  7.074348       61.34839 
1 1 1 -5  -8  8  o 260.9780 30.36195 15.74157       4.741503  15.03138       4.910180  6.997314       62.93665 
1 1 1 -5  -8  9  o 322.9238 26.66057 24.02678       5.250114  22.67818       5.336972  10.02872       54.62159 
1 1 1 -5  -8  10 o 462.0654 24.48253 46.07066       5.985612  50.60820       8.772540  -16.78058      52.61390 
1 1 1 -5  -8  11 o 407.3217 22.74353 37.90647       5.701073  36.07010       5.746778  10.55020       46.11426 
1 1 1 -5  -8  12 o 446.6852 21.09961 42.89169       5.599498  46.49240       6.091360  -17.23495      42.76234 
1 1 1 -5  -8  13 o 183.3828 40.63141 9.912904       4.390569  6.325836       4.618832  36.89037       74.47094 
1 1 1 -5  -8  14 o 97.72748 41.62056 0.4943512      4.252289  0.8468050      4.630259  -5.811478      68.80890 
1 1 1 -5  -8  15 o 116.5761 43.80528 1.972426       4.111600  4.070791       4.507686  -18.60446      71.68243 
1 1 1 -5  -8  16 o 283.9053 28.58879 20.79992       4.835056  17.23061       5.108962  33.48279       61.87085 
1 1 1 -5  -8  17 o 83.78946 38.07127 -0.8859432     4.187393  -0.7434499     4.451725  -3.298302      63.49000 
1 1 1 -5  -8  18 o 123.0314 46.42357 5.551041       4.721574  2.208558       4.959213  21.52914       74.31527 
1 1 1 -5  -8  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -7  1  o 320.4343 20.24110 20.30694       3.900787  25.57838       4.113271  -37.58514      41.09045 
1 1 1 -5  -7  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  -7  3  o 920.3265 24.87061 189.6370       10.03070  0.000000       0.000000  ?              ?        
1 1 1 -5  -7  4  o 122.7433 43.46912 7.025434       4.126649  -0.7263134     4.152015  65.53265       68.90067 
1 1 1 -5  -7  5  o 420.1047 31.55356 37.32612       7.834142  42.98825       8.536526  -29.20599      64.75504 
1 1 1 -5  -7  6  o 74.47555 35.57039 -3.472012      3.793611  -6.437121      6.356174  -22.18153      65.25401 
1 1 1 -5  -7  7  o 117.5424 46.69233 0.7328407      4.822429  3.065360       5.395897  -21.69470      77.58053 
1 1 1 -5  -7  8  o 341.6494 28.01693 26.74394       5.679247  25.35925       6.116159  10.55420       57.61197 
1 1 1 -5  -7  9  o 115.1354 41.97107 0.8028750      3.855680  4.301973       3.926545  -31.07896      68.83576 
1 1 1 -5  -7  10 o 577.9344 25.94650 74.39677       6.560693  0.000000       0.000000  ?              ?        
1 1 1 -5  -7  11 o 464.1964 21.50925 54.34952       6.192764  41.37610       6.160889  64.48383       43.83706 
1 1 1 -5  -7  12 o 438.6360 20.75105 51.07364       5.806940  35.51096       5.468765  80.99719       42.31653 
1 1 1 -5  -7  13 o 388.7400 22.12976 35.08484       5.230957  32.62107       5.401976  15.31699       45.11807 
1 1 1 -5  -7  14 o 363.5724 22.73798 29.97011       4.984612  29.77951       5.229074  2.331329       46.55872 
1 1 1 -5  -7  15 o 222.4120 33.94653 8.133518       4.321209  16.59147       4.784808  -82.24658      68.61776 
1 1 1 -5  -7  16 o 108.6780 42.87552 3.848271       4.138133  0.4349248      4.394359  22.05058       69.47299 
1 1 1 -5  -7  17 o 150.7988 44.16756 5.042373       4.239301  7.479560       4.570923  -22.04399      75.10152 
1 1 1 -5  -7  18 o 203.1751 38.70459 13.34484       4.593974  7.860719       4.813747  56.70398       74.55286 
1 1 1 -5  -7  19 o 136.8864 45.21558 5.287234       4.225139  5.357294       4.740020  -0.7553558     74.39334 
1 1 1 -5  -6  1  o 345.6319 15.04564 23.79247       3.212954  28.91050       3.223265  -34.01160      30.39821 
1 1 1 -5  -6  2  f 214.1140 22.87451 8.080773       2.983787  12.48759       2.998604  -48.62129      48.16263 
1 1 1 -5  -6  3  f 283.1161 19.43294 21.41819       3.488703  14.62940       3.303230  55.17831       39.93716 
1 1 1 -5  -6  4  o 300.5014 18.91694 19.03435       3.538179  21.15690       3.479286  -16.55191      38.47569 
1 1 1 -5  -6  5  o 228.9344 25.08865 12.66800       3.521531  11.07203       3.487948  16.38794       52.07480 
1 1 1 -5  -6  6  o 463.3037 22.13651 49.99851       5.957391  44.76351       6.816094  27.99426       45.62622 
1 1 1 -5  -6  7  o 503.2758 21.29037 55.58708       6.606492  56.56116       6.657155  -4.376984      42.88705 
1 1 1 -5  -6  8  o 212.4545 25.60999 11.63637       3.260104  8.552999       3.356268  34.46712       53.36311 
1 1 1 -5  -6  9  o 79.15606 38.23167 0.000000       0.000000  -6.134070      4.011225  ?              ?        
1 1 1 -5  -6  10 o 338.9525 28.76616 31.20131       5.280618  16.10630       7.096703  116.2391       71.53538 
1 1 1 -5  -6  11 o 259.4774 25.85442 14.83437       4.001567  15.40522       4.219453  -4.517532      53.26030 
1 1 1 -5  -6  12 o 543.0808 17.75817 64.58636       5.811574  66.00562       6.151737  -5.444702      35.76490 
1 1 1 -5  -6  13 o 448.8514 19.44510 38.52286       5.215395  52.11811       5.608592  -68.69516      39.42212 
1 1 1 -5  -6  14 o 364.5678 21.96575 33.13782       4.920259  26.58726       4.969079  42.13818       45.17004 
1 1 1 -5  -6  15 o 181.1089 37.97265 8.427209       4.070222  7.682573       4.191472  8.456573       71.78561 
1 1 1 -5  -6  16 o 342.7093 23.83092 26.65484       4.934446  27.25326       5.141212  -2.769348      49.25414 
1 1 1 -5  -6  17 o 119.0606 48.90358 -3.087027      8.843014  4.253718       4.619236  -8.505562      79.62165 
1 1 1 -5  -6  18 o 231.8753 35.17498 13.77313       4.935212  13.32116       4.867228  3.730148       74.09737 
1 1 1 -5  -6  19 o 93.14127 40.57840 -1.258737      4.340000  2.868050       4.459965  -23.34477      66.25706 
1 1 1 -5  -6  20 o 110.7386 44.53335 2.666922       4.381670  3.195806       5.058016  -6.076630      71.46062 
1 1 1 -5  -5  1  o 766.8279 14.12022 126.4028       6.611000  132.3878       6.827633  -17.68372      28.31236 
1 1 1 -5  -5  2  o 331.5700 14.87710 24.67642       3.047812  23.80862       3.056456  6.019470       29.92483 
1 1 1 -5  -5  3  o 401.2135 14.45221 37.35598       3.642055  33.75304       3.542044  20.45062       29.04535 
1 1 1 -5  -5  4  o 88.63819 34.43806 1.307504       2.783623  1.050469       2.648813  4.276436       56.96798 
1 1 1 -5  -5  5  o 78.70357 33.48166 3.307235       2.991641  -2.544536      2.745803  51.70774       55.69255 
1 1 1 -5  -5  6  o 216.1834 22.94777 10.40417       2.986695  10.66329       3.076110  -2.472351      47.42422 
1 1 1 -5  -5  7  o 495.5603 14.57564 55.70255       4.416316  52.50642       4.537705  14.92206       29.31169 
1 1 1 -5  -5  8  o 385.1808 22.43188 32.78989       5.211971  33.03503       5.470578  -1.036682      45.39247 
1 1 1 -5  -5  9  o 845.5230 33.01381 0.000000       0.000000  159.7840       12.22044  ?              ?        
1 1 1 -5  -5  10 o 721.7896 22.42790 113.9165       9.743476  117.3180       10.34274  -9.863037      45.21134 
1 1 1 -5  -5  11 f 379.5989 23.70471 32.18515       5.412232  32.02276       5.707440  1.657990       48.16164 
1 1 1 -5  -5  12 o 315.2108 19.92747 19.60568       3.797718  24.72733       3.960418  -37.24365      40.48677 
1 1 1 -5  -5  13 o 310.5396 20.95675 21.68550       3.952895  21.33086       4.076653  2.995544       42.61954 
1 1 1 -5  -5  14 o 409.9016 18.77809 35.54054       4.753853  39.35169       4.770247  -21.42557      38.02379 
1 1 1 -5  -5  15 o 351.7214 20.77126 30.95930       4.549314  24.82179       4.474998  40.35626       42.56935 
1 1 1 -5  -5  16 o 201.0683 34.48195 11.59155       4.202404  8.185910       4.091960  36.37819       68.87173 
1 1 1 -5  -5  17 o 146.3160 42.33832 5.849226       4.015676  5.281217       4.108089  5.444901       72.40231 
1 1 1 -5  -5  18 f 101.9994 41.71945 0.5689672      4.155772  3.081383       4.228272  -17.00730      67.72147 
1 1 1 -5  -5  19 o 141.0136 45.01099 7.535929       4.445018  3.563305       4.437632  33.47441       73.96949 
1 1 1 -5  -5  20 o 126.3265 44.40600 5.804124       4.298029  3.107296       4.328983  20.80191       71.77220 
1 1 1 -5  -4  1  f 290.7666 13.59101 19.93498       2.436179  17.29040       2.453124  20.91272       27.41249 
1 1 1 -5  -4  2  o 157.6265 23.38481 5.826818       2.210544  5.380721       2.224162  6.502930       47.29956 
1 1 1 -5  -4  3  o 856.0712 15.22630 156.0680       7.913155  167.1123       8.270159  -29.43414      30.53028 
1 1 1 -5  -4  4  o 580.0664 13.64767 76.41175       4.962927  71.90997       4.860286  17.63910       27.40985 
1 1 1 -5  -4  5  o 361.4064 15.75786 28.31957       3.477736  29.55529       3.572640  -7.673096      31.75162 
1 1 1 -5  -4  6  o 343.0496 17.07406 25.40112       3.558571  26.91521       3.688850  -9.862427      34.48473 
1 1 1 -5  -4  7  o 448.3556 14.71488 46.16402       4.008853  42.49210       4.169950  19.05325       29.67903 
1 1 1 -5  -4  8  o 759.0499 15.16377 129.7370       7.228307  124.1909       7.054716  16.53784       30.43529 
1 1 1 -5  -4  9  o 298.4363 27.52638 0.000000       0.000000  19.92582       3.562736  ?              ?        
1 1 1 -5  -4  10 o 636.4928 21.04161 91.00852       8.332157  88.31477       8.261166  9.615112       42.33712 
1 1 1 -5  -4  11 o 375.7361 17.29363 36.19667       4.056362  26.44257       3.984476  59.70499       35.22052 
1 1 1 -5  -4  12 o 568.5937 22.10642 74.69501       7.906856  68.94480       7.663469  22.83630       44.56730 
1 1 1 -5  -4  13 o 191.3799 41.67449 6.308585       4.688442  11.29896       4.934919  -49.84294      76.23650 
1 1 1 -5  -4  14 o 127.8195 38.34042 2.227524       3.226353  5.535016       3.337878  -36.73798      64.19292 
1 1 1 -5  -4  15 o 340.4915 19.15740 24.62398       3.961604  27.36941       4.102046  -18.19467      38.90954 
1 1 1 -5  -4  16 o 214.5563 27.11062 12.65859       3.587574  8.896883       3.471000  40.77896       56.90778 
1 1 1 -5  -4  17 o 177.0849 34.49366 8.160350       3.638279  7.243372       3.667539  10.80811       66.78252 
1 1 1 -5  -4  18 o 101.3487 39.62532 1.764048       3.485574  2.357864       3.750838  -6.655090      64.60619 
1 1 1 -5  -4  19 o 98.70999 40.19077 -1.963548      3.610957  6.790881       4.190441  -66.81241      65.24799 
1 1 1 -5  -4  20 o 80.62504 36.43471 3.184334       3.878900  -3.976122      3.893870  37.83717       60.65071 
1 1 1 -5  -4  21 o 76.96942 35.45105 -0.5153441     3.778913  -1.361947      4.060251  1.338158       58.85275 
1 1 1 -5  -3  1  o 589.9998 12.08033 79.41869       4.529663  73.77328       4.320303  21.73315       24.21662 
1 1 1 -5  -3  2  o 1001.970 16.51211 223.4049       10.36141  218.4750       10.16731  11.11163       33.07874 
1 1 1 -5  -3  3  o 694.3349 13.34595 105.5869       5.751307  106.4127       5.745179  -2.722229      26.76107 
1 1 1 -5  -3  4  o 192.5910 20.81880 4.030309       2.364730  13.21207       2.540058  -110.6522      45.41484 
1 1 1 -5  -3  5  o 67.41649 29.57801 3.086680       2.400977  -3.659215      2.346539  58.33359       49.07168 
1 1 1 -5  -3  6  o 87.98543 37.81640 0.000000       0.000000  0.2003001E-01  2.629027  ?              ?        
1 1 1 -5  -3  7  o 375.0308 15.09410 30.89705       3.430741  31.38128       3.582819  -2.665222      30.41464 
1 1 1 -5  -3  8  o 223.7550 20.69703 10.06765       2.765633  12.42015       2.921135  -24.16570      42.48646 
1 1 1 -5  -3  9  f 400.5836 15.38794 33.11481       3.740053  37.84678       3.898137  -26.88324      30.93137 
1 1 1 -5  -3  10 o 338.4462 16.68254 24.90318       3.442551  25.71619       3.542861  -5.384186      33.59828 
1 1 1 -5  -3  11 o 235.9902 32.90984 14.42367       4.727695  11.05135       4.646942  32.92639       67.51096 
1 1 1 -5  -3  12 o 335.3606 26.33768 24.26483       5.284341  26.25194       5.599596  -12.95834      53.82535 
1 1 1 -5  -3  13 o 119.4071 44.54849 0.6857588      4.335168  4.660671       4.524036  -33.25446      73.12280 
1 1 1 -5  -3  14 o 109.0372 43.04979 -1.833463      4.073489  6.216485       4.564526  -65.59972      70.08422 
1 1 1 -5  -3  15 o 317.6032 19.27148 22.75162       3.759081  22.34599       3.799075  3.098633       39.15056 
1 1 1 -5  -3  16 o 89.42476 36.28959 2.511964       3.120988  -0.5548048     3.162782  24.52614       59.54226 
1 1 1 -5  -3  17 o 79.45133 34.45183 -0.1424582     3.112532  0.3109651      3.168035  -3.854431      57.28550 
1 1 1 -5  -3  18 o 84.95538 35.61751 1.700066       3.121171  -0.2992530     3.202980  13.94985       58.50767 
1 1 1 -5  -3  19 o 188.7440 30.53205 6.737746       3.355796  11.09936       3.558623  -49.64671      61.81918 
1 1 1 -5  -3  20 o 94.67447 38.78700 2.671683       3.594329  0.4583296      3.667684  14.86463       62.78199 
1 1 1 -5  -3  21 o 95.46802 39.17268 5.006462       3.648579  -1.696074      3.775226  44.68288       62.47860 
1 1 1 -5  -2  1  o 397.8426 11.32484 34.03466       2.779224  35.55199       2.804983  -8.702576      22.69918 
1 1 1 -5  -2  2  o 940.8397 15.58928 191.7770       9.002326  197.6677       9.197305  -14.18250      31.22141 
1 1 1 -5  -2  3  o 794.8660 14.12629 139.5426       6.967239  138.3015       6.963318  3.564880       28.32069 
1 1 1 -5  -2  4  f 268.1709 15.31044 15.20961       2.489858  16.60904       2.585526  -11.86993      30.87279 
1 1 1 -5  -2  5  o 162.9412 24.92892 4.894826       2.363312  7.335355       2.524057  -33.45015      50.04545 
1 1 1 -5  -2  6  o 643.6694 13.67437 92.47415       5.436643  90.30594       5.483504  7.783752       27.47969 
1 1 1 -5  -2  7  o 231.4068 19.83811 11.90957       2.752439  12.08117       2.893312  -1.222733      40.66302 
1 1 1 -5  -2  8  o 225.2937 19.98217 13.82008       2.717776  8.693137       2.811953  54.31387       42.78922 
1 1 1 -5  -2  9  o 82.51379 32.84615 0.6947632      2.460120  0.9453515      2.587619  -4.344521      54.51739 
1 1 1 -5  -2  10 o 276.9927 17.91983 18.78218       3.006469  15.04703       3.121868  31.50848       36.71167 
1 1 1 -5  -2  11 o 121.6885 34.58449 1.792701       2.612336  5.361349       2.872815  -45.80289      58.17610 
1 1 1 -5  -2  12 o 341.0780 23.49311 25.56311       4.853249  26.39016       5.032115  -5.186737      47.77087 
1 1 1 -5  -2  13 o 159.7488 45.16893 6.797063       4.552580  5.136717       4.806706  14.58330       77.66415 
1 1 1 -5  -2  14 o 202.5583 33.54055 10.48345       3.517504  7.514287       4.994365  33.69434       69.12631 
1 1 1 -5  -2  15 o 423.0172 23.15614 38.45321       5.932669  42.01535       6.181269  -18.71170      47.07767 
1 1 1 -5  -2  16 o 98.89044 37.63008 1.888906       3.088722  1.665418       3.309544  -0.2911606     61.90738 
1 1 1 -5  -2  17 o 179.2098 31.49926 7.569484       3.287708  7.912532       3.467352  -3.133728      62.75628 
1 1 1 -5  -2  18 o 115.9710 38.36804 2.421895       3.107161  4.300402       3.326773  -20.08881      63.61097 
1 1 1 -5  -2  19 o 302.5018 20.93066 22.18258       3.839455  19.95515       3.970611  18.58279       43.60782 
1 1 1 -5  -2  20 o 255.8417 24.77150 15.78768       3.846686  15.31860       3.918730  5.333878       52.89526 
1 1 1 -5  -2  21 o 94.64125 37.65762 -0.1423246E-01 3.251179  3.971395       3.378261  -31.58664      60.68633 
1 1 1 -5  -1  1  o 1349.290 20.84434 407.8425       17.66684  394.5630       17.23430  22.18860       41.78201 
1 1 1 -5  -1  2  o 666.0213 12.59372 95.84600       5.181792  99.08289       5.224578  -11.07849      25.24171 
1 1 1 -5  -1  3  o 927.4536 15.50684 192.6286       9.041835  185.9461       8.805599  16.30414       31.06016 
1 1 1 -5  -1  4  o 856.6132 14.85273 163.0650       7.962494  159.9024       7.824062  8.331909       29.75490 
1 1 1 -5  -1  5  o 211.2825 18.73465 9.465754       2.448520  10.38853       2.411877  -10.32518      38.35587 
1 1 1 -5  -1  6  o 519.6705 12.96751 59.12298       4.167874  59.90016       4.192715  -3.390747      26.05473 
1 1 1 -5  -1  7  o 494.7657 13.37430 55.29658       4.121052  52.85858       4.081210  11.22198       26.87160 
1 1 1 -5  -1  8  o 353.0030 15.14137 28.87262       3.263739  26.23098       3.353849  17.41068       30.59817 
1 1 1 -5  -1  9  o 186.7139 28.08554 7.475490       2.739069  8.857201       3.835332  -13.78667      58.47834 
1 1 1 -5  -1  10 o 277.3817 18.06098 16.48206       3.071716  17.60726       3.110193  -9.310638      36.53851 
1 1 1 -5  -1  11 o 262.2357 19.85156 17.46378       3.120365  12.82878       3.297509  41.84460       41.46715 
1 1 1 -5  -1  12 o 351.7378 16.22239 31.26700       3.583753  23.66598       3.478664  49.54144       32.89383 
1 1 1 -5  -1  13 o 108.6890 43.06277 2.318813       4.149543  0.7583014      4.500971  7.672195       71.09280 
1 1 1 -5  -1  14 o 585.5991 23.03020 79.34452       8.264971  73.17778       8.436929  24.64709       46.60226 
1 1 1 -5  -1  15 o 323.5303 21.73125 25.48138       3.812799  19.70116       5.157815  47.48132       49.44136 
1 1 1 -5  -1  16 o 366.0097 24.54943 35.37991       5.697652  25.87930       5.397617  59.40427       50.71883 
1 1 1 -5  -1  17 o 326.6149 22.33256 23.48281       5.312446  24.70216       3.970172  -16.74326      48.88976 
1 1 1 -5  -1  18 o 252.8404 23.05249 12.63737       3.405444  17.37614       3.774763  -41.65211      48.31751 
1 1 1 -5  -1  19 o 97.20182 37.57254 3.205352       3.149703  0.5315509      3.290379  21.20898       60.85351 
1 1 1 -5  -1  20 o 80.30064 34.98845 2.587221       3.305312  -1.867320      3.238044  29.87716       57.66284 
1 1 1 -5  -1  21 o 140.2965 37.71636 2.664711       3.316434  8.309438       3.390472  -59.96700      63.07946 
1 1 1 -5  -1  22 o 68.90487 31.74350 -2.259041      3.118605  0.6425964      3.159700  -16.13232      53.13178 
1 1 1 -5  0   1  o 756.5580 13.13763 125.8206       6.167477  125.6860       6.163732  0.4041138      26.29841 
1 1 1 -5  0   2  o 816.1689 13.97325 146.6309       7.094066  146.1653       7.055029  1.283081       27.97575 
1 1 1 -5  0   3  o 553.5479 11.88912 67.74104       4.102808  66.89659       4.062398  3.462097       23.83727 
1 1 1 -5  0   4  o 626.9448 12.63095 85.22128       4.914508  87.57341       4.910019  -8.576782      25.32948 
1 1 1 -5  0   5  o 446.3104 12.43811 43.95137       3.487215  43.74293       3.395044  0.9813538      24.95407 
1 1 1 -5  0   6  o 414.0349 13.30161 37.66650       3.391697  37.95445       3.432422  -1.537201      26.71600 
1 1 1 -5  0   7  o 257.0394 17.06604 13.75601       2.711231  15.63228       2.700235  -16.97292      34.71329 
1 1 1 -5  0   8  o 465.9251 13.51182 49.06273       3.937634  46.90149       3.865570  10.50327       27.15443 
1 1 1 -5  0   9  o 572.7134 13.59478 72.97411       4.861276  71.59891       4.798855  5.417480       27.30939 
1 1 1 -5  0   10 o 838.5295 15.55818 149.1276       7.907346  161.2240       8.291726  -32.59070      31.22452 
1 1 1 -5  0   11 o 439.9652 20.36883 42.85403       3.920176  0.000000       0.000000  ?              ?        
1 1 1 -5  0   12 o 757.3054 15.20654 129.3828       7.207730  123.5475       7.081171  17.48364       30.53417 
1 1 1 -5  0   13 o 385.1004 15.94633 36.62498       3.880858  29.24965       3.726082  43.71179       32.18930 
1 1 1 -5  0   14 o 247.9881 33.42980 13.57845       4.992851  14.57747       5.030806  -9.303146      68.95934 
1 1 1 -5  0   15 o 235.5757 33.85393 8.053183       4.532743  19.01855       5.133645  -102.6091      68.33131 
1 1 1 -5  0   16 o 292.7103 22.21294 22.57665       3.501917  13.17468       4.808040  86.02649       55.51680 
1 1 1 -5  0   17 o 103.3550 42.09474 -1.004671      4.038147  4.567877       4.487908  -42.81345      69.24445 
1 1 1 -5  0   18 o 255.1929 44.53382 17.02488       4.803709  0.000000       0.000000  ?              ?        
1 1 1 -5  0   19 o 194.2751 27.84826 8.839636       3.147806  9.305943       3.385622  -3.334167      58.28501 
1 1 1 -5  0   20 o 277.2247 22.15608 19.22537       3.772855  16.76675       3.784080  21.44772       46.72853 
1 1 1 -5  0   21 o 130.2563 38.60521 6.389698       3.218011  2.663558       3.480887  37.94004       63.88036 
1 1 1 -5  0   22 o 77.52039 34.07174 0.7635038      3.108399  -0.1691050     3.218497  4.772293       55.71122 
1 1 1 -5  1   1  o 171.4031 16.12076 6.096299       1.729864  6.904759       1.660115  -11.23393      33.13861 
1 1 1 -5  1   2  o 351.6427 11.37017 24.77567       2.441747  29.73836       2.513678  -32.22406      22.84568 
1 1 1 -5  1   3  o 341.5681 12.07374 24.44029       2.520555  26.95457       2.589193  -16.78870      24.22969 
1 1 1 -5  1   4  o 402.0623 12.09912 37.18091       3.042368  33.99353       2.986760  18.08670       24.27139 
1 1 1 -5  1   5  f 606.3228 12.75313 84.91885       4.943848  77.25234       4.661840  28.63586       25.58511 
1 1 1 -5  1   6  o 95.11366 32.40627 1.745616       2.350452  2.029735       2.233303  -2.084763      53.91644 
1 1 1 -5  1   7  o 494.5229 13.09782 54.62047       4.056327  53.37788       3.973722  5.620789       26.30733 
1 1 1 -5  1   8  o 465.4860 13.39696 45.39956       3.784729  50.58052       3.949233  -25.19321      26.92722 
1 1 1 -5  1   9  f 613.9233 13.73460 81.15248       5.173729  85.17227       5.289262  -14.82465      27.59483 
1 1 1 -5  1   10 o 808.0922 17.72850 135.8489       10.68472  148.4777       7.769800  -39.83588      38.09215 
1 1 1 -5  1   11 o 593.6274 19.83549 77.91409       5.157601  0.000000       0.000000  ?              ?        
1 1 1 -5  1   12 o 549.7166 14.08675 68.54891       4.850063  64.72146       4.750741  15.81952       28.26704 
1 1 1 -5  1   13 o 211.9165 22.66025 11.39495       2.944733  8.803851       2.920712  28.81677       47.10730 
1 1 1 -5  1   14 o 238.8419 22.44487 10.17918       3.204678  15.64354       3.374769  -53.26157      46.89178 
1 1 1 -5  1   15 f 335.4187 25.02716 26.26637       5.167677  24.30654       5.171918  13.68579       51.22247 
1 1 1 -5  1   16 o 328.0408 25.67719 26.24399       5.285335  22.71008       5.087253  24.44797       52.89162 
1 1 1 -5  1   17 f 253.6963 25.55454 12.23853       3.357951  20.71095       5.102293  -64.88524      54.01941 
1 1 1 -5  1   18 o 224.3461 35.35749 12.66538       4.665324  12.12679       4.856110  7.207657       73.16668 
1 1 1 -5  1   19 o 216.5245 29.91252 14.02767       4.560872  9.759410       3.477017  34.75851       63.56765 
1 1 1 -5  1   20 f 120.5897 37.46003 3.001318       2.985761  4.831579       3.219722  -19.71919      62.75711 
1 1 1 -5  1   21 o 141.5773 36.32446 5.477277       3.152116  5.320518       3.261914  2.240967       64.48947 
1 1 1 -5  1   22 f 86.15168 36.02013 3.141659       3.194304  -0.6855549     3.245804  26.38362       58.05448 
1 1 1 -5  2   1  o 409.7981 10.84998 37.89193       2.793304  35.96335       2.719589  10.70950       21.74050 
1 1 1 -5  2   2  o 182.4389 17.09407 7.052161       1.968870  7.685719       1.859819  -8.410172      35.12621 
1 1 1 -5  2   3  o 841.6284 14.36658 155.3756       7.512449  156.1098       7.488597  -2.004883      28.77007 
1 1 1 -5  2   4  o 269.1003 14.01374 14.18531       2.333155  17.74721       2.329315  -30.49504      28.41619 
1 1 1 -5  2   5  o 100.3424 30.78206 2.135075       2.175143  2.351527       2.029277  -1.507637      52.13034 
1 1 1 -5  2   6  o 283.5303 14.80588 17.59940       2.635986  17.94313       2.555928  -2.939941      29.87586 
1 1 1 -5  2   7  o 279.5266 15.45347 18.91686       2.733912  15.88288       2.608773  24.72229       31.25188 
1 1 1 -5  2   8  o 712.6169 14.12537 112.9757       6.306849  111.5247       6.183249  4.434753       28.40322 
1 1 1 -5  2   9  o 339.9119 15.05478 25.15759       3.204397  25.96942       3.129898  -5.643616      30.35646 
1 1 1 -5  2   10 f 364.2160 21.05329 0.000000       0.000000  29.46475       3.349079  ?              ?        
1 1 1 -5  2   11 o 889.7490 18.69335 177.1073       8.964431  170.0586       12.55456  22.66058       40.07479 
1 1 1 -5  2   12 o 131.7723 33.40277 1.661155       2.707856  6.521644       2.760026  -61.41412      56.19016 
1 1 1 -5  2   13 o 104.2054 34.90200 3.523273       2.694239  1.211965       2.618700  27.05547       57.63684 
1 1 1 -5  2   14 o 472.8803 15.28520 49.49755       4.492499  49.26708       4.463305  1.074402       30.71951 
1 1 1 -5  2   15 o 262.5835 26.47340 22.00953       5.161653  12.28387       3.700681  78.64502       54.67328 
1 1 1 -5  2   16 o 433.1961 22.13635 42.32705       5.833094  41.87448       6.029310  3.102814       45.00800 
1 1 1 -5  2   17 f 103.7440 38.99750 2.419326       2.973076  1.504187       4.105554  -2.816551      64.68240 
1 1 1 -5  2   18 o 137.0163 45.00946 4.710300       4.489485  4.923042       4.357594  -1.405151      74.62328 
1 1 1 -5  2   19 f 116.8471 43.98497 2.806296       4.398541  3.617636       4.275118  -5.312431      71.31194 
1 1 1 -5  2   20 o 244.9394 23.11517 15.50859       3.481678  12.76496       3.459641  26.92738       49.29409 
1 1 1 -5  2   21 o 127.7894 36.54568 5.518023       3.026534  3.386369       3.059175  23.60530       62.10162 
1 1 1 -5  2   22 o 70.67802 32.02499 -0.4416501     3.014819  -0.2288661     3.038306  -1.478531      52.90588 
1 1 1 -5  2   23 o 155.3992 34.10175 7.240096       3.253007  6.098547       3.143540  12.37015       64.13228 
1 1 1 -5  3   1  o 737.6559 13.30205 114.0868       5.955191  125.5685       6.227527  -35.61115      26.64641 
1 1 1 -5  3   2  o 213.7838 15.75307 8.558167       2.035195  11.78088       2.115990  -34.80489      32.21876 
1 1 1 -5  3   3  o 888.1993 15.08049 174.2694       8.345926  172.8006       8.272311  3.729248       30.20587 
1 1 1 -5  3   4  o 94.16840 30.17071 0.2825452      2.052676  3.398342       1.940187  -40.21797      48.66889 
1 1 1 -5  3   5  o 281.7426 14.63257 18.45546       2.649040  16.72713       2.458749  13.80115       29.48437 
1 1 1 -5  3   6  o 246.4644 16.35914 13.96214       2.531459  13.01910       2.444699  8.652405       33.12668 
1 1 1 -5  3   7  o 304.5378 14.93898 20.66056       2.903096  20.45046       2.731767  1.200684       30.18440 
1 1 1 -5  3   8  o 232.6770 18.69650 9.870405       2.638968  14.48527       2.714324  -46.23145      38.92399 
1 1 1 -5  3   9  o 487.4921 13.44147 54.61344       4.175421  50.56054       3.955202  18.66791       27.00580 
1 1 1 -5  3   10 o 562.6102 19.17684 0.000000       0.000000  70.08002       4.725532  ?              ?        
1 1 1 -5  3   11 o 272.8826 17.74840 18.34550       3.125495  14.93906       2.867287  28.29025       35.91285 
1 1 1 -5  3   12 f 353.5550 15.56168 26.82569       3.355036  28.43653       3.456400  -10.31299      31.31575 
1 1 1 -5  3   13 o 98.88954 35.09795 -0.7277138     2.599407  5.087370       2.812790  -64.74963      55.35397 
1 1 1 -5  3   14 o 516.2883 14.91215 57.40635       4.719902  60.36355       4.823437  -12.97067      29.95827 
1 1 1 -5  3   15 o 580.4602 17.81634 82.86676       8.248005  71.11128       5.422188  40.29449       38.10639 
1 1 1 -5  3   16 o 259.6169 28.19300 15.47695       4.563461  15.38706       4.377443  -0.1613922     58.87089 
1 1 1 -5  3   17 o 256.2089 28.33390 16.82868       4.557526  13.78255       4.308927  26.78740       59.58971 
1 1 1 -5  3   18 o 234.3761 26.10961 14.02148       3.197035  10.23324       4.673382  50.78076       61.71621 
1 1 1 -5  3   19 o 128.5525 43.30085 4.922614       4.017624  3.745218       4.160437  9.657227       71.15141 
1 1 1 -5  3   20 o 66.27843 31.85984 -4.930653      3.738247  -0.9366614     3.927789  -18.23418      55.33712 
1 1 1 -5  3   21 o 91.70157 35.67159 2.670651       2.983160  1.154222       2.850100  13.82635       57.73652 
1 1 1 -5  3   22 o 118.0638 37.33816 4.524237       3.077662  3.421550       3.046896  11.18337       61.93575 
1 1 1 -5  3   23 o 194.7669 26.97931 11.70448       3.233579  7.743368       3.114109  46.28397       57.83020 
1 1 1 -5  4   1  o 449.4341 11.93251 48.31433       3.476468  41.11792       3.189555  36.31573       23.91587 
1 1 1 -5  4   2  o 457.4208 12.54060 47.81057       3.725939  44.51552       3.405631  16.21768       25.17757 
1 1 1 -5  4   3  o 566.3701 12.47307 73.16905       4.520180  68.14761       4.256091  20.06134       25.02447 
1 1 1 -5  4   4  o 479.6328 12.53399 49.04311       3.711852  52.22189       3.740296  -15.13138      25.13915 
1 1 1 -5  4   5  o 817.9980 14.77844 143.5260       7.426553  151.4817       7.573387  -22.08368      29.66050 
1 1 1 -5  4   6  f 143.4206 27.14820 4.369814       2.393088  5.088685       2.265854  -10.54701      52.32846 
1 1 1 -5  4   7  o 165.4367 24.88838 7.223921       2.589921  5.461213       2.374290  23.49394       50.39114 
1 1 1 -5  4   8  o 147.9948 26.93889 3.403333       2.380538  6.772583       2.383510  -47.75996      51.44084 
1 1 1 -5  4   9  o 224.2375 19.16472 12.90806       2.769168  9.858889       2.527836  30.87712       39.27538 
1 1 1 -5  4   10 o 296.9490 19.21385 15.09186       4.314329  21.82829       3.047609  -57.97888      45.72961 
1 1 1 -5  4   11 o 221.9660 20.70042 13.32743       2.912004  8.928171       2.731418  45.91745       42.92731 
1 1 1 -5  4   12 o 85.45293 33.41787 2.409343       2.681167  -0.1639243     2.469257  28.52861       55.19262 
1 1 1 -5  4   13 o 545.6195 14.42522 63.32409       4.876488  68.09294       4.879645  -20.01733      28.98875 
1 1 1 -5  4   14 o 643.6665 15.06300 91.50022       6.052089  91.38402       5.977310  0.3024902      30.28362 
1 1 1 -5  4   15 o 104.6501 39.15927 3.838727       3.549700  0.3548703      3.313466  33.81659       64.26225 
1 1 1 -5  4   16 o 109.8800 42.46966 1.271250       4.121050  2.878910       4.100891  -12.19352      69.75668 
1 1 1 -5  4   17 o 257.8669 28.77835 13.66102       4.457725  17.33378       4.595441  -33.23114      60.73994 
1 1 1 -5  4   18 o 89.11299 36.84964 2.759231       2.927857  -2.360404      3.918730  24.82983       59.56677 
1 1 1 -5  4   19 o 86.43095 38.45594 -1.289821      4.335072  0.8912884      3.985146  -8.331657      63.43524 
1 1 1 -5  4   20 o 112.5964 43.33249 4.872560       4.420026  1.575267       4.127820  24.49078       69.84943 
1 1 1 -5  4   21 o 96.71770 38.27000 0.4238827      4.200856  2.979737       2.936250  -10.16763      61.40490 
1 1 1 -5  4   22 o 76.99176 33.39149 2.226368       3.086243  -0.8810456     2.831626  23.50106       54.81586 
1 1 1 -5  4   23 o 181.2639 29.42779 8.879563       3.398737  8.387399       3.024901  -0.3354950     61.76192 
1 1 1 -5  5   1  o 771.4958 14.26583 133.7236       6.941580  128.2569       6.718420  16.03131       28.60797 
1 1 1 -5  5   2  o 121.7729 28.28927 3.029588       2.151065  3.773226       2.044960  -10.79102      51.29684 
1 1 1 -5  5   3  o 320.4661 14.29596 23.41140       2.933185  21.97060       2.745631  10.08142       28.76276 
1 1 1 -5  5   4  o 1280.457 20.47242 377.9499       16.78454  348.8586       15.78379  50.66663       41.12224 
1 1 1 -5  5   5  o 583.0906 13.15079 73.08326       4.759978  76.68535       4.753392  -14.14514      26.41492 
1 1 1 -5  5   6  o 310.3210 15.00827 21.57213       2.932319  21.08655       2.831343  3.391205       30.26791 
1 1 1 -5  5   7  o 414.6147 13.94458 37.37007       3.624251  38.66346       3.539959  -7.334534      28.07923 
1 1 1 -5  5   8  o 156.7056 28.03289 6.914473       2.732434  4.682544       2.529258  30.06401       54.62394 
1 1 1 -5  5   9  o 153.2738 28.46866 3.582055       2.671656  7.145960       2.547102  -48.25313      54.08118 
1 1 1 -5  5   10 o 705.3433 14.60718 113.2003       6.575209  106.4927       6.221841  21.31952       29.34207 
1 1 1 -5  5   11 o 290.4133 17.25314 19.83912       3.228803  17.68093       2.975021  16.65802       34.85777 
1 1 1 -5  5   12 o 537.8586 14.29820 60.84901       4.746130  66.76687       4.786711  -25.14026      28.72056 
1 1 1 -5  5   13 o 341.5171 16.35004 23.38287       3.454630  28.27662       3.452765  -33.03662      33.13718 
1 1 1 -5  5   14 o 474.8227 14.88972 53.58485       4.619323  46.73647       4.174795  32.25266       29.94637 
1 1 1 -5  5   15 o 289.1011 23.39751 16.95102       5.349364  19.53420       3.522046  -28.16180      55.10134 
1 1 1 -5  5   16 o 275.3014 29.03812 19.80420       5.178371  15.45913       4.635361  34.54781       60.63343 
1 1 1 -5  5   17 o 277.5382 27.25944 17.28646       4.609243  18.28308       4.656265  -8.290710      57.09708 
1 1 1 -5  5   18 f 65.31361 30.95868 -3.484207      2.946434  -0.4102591     4.011909  -29.71809      55.75243 
1 1 1 -5  5   19 o 229.6271 32.81956 16.23937       4.725627  10.44878       4.378385  54.97722       69.12395 
1 1 1 -5  5   20 f 75.64491 35.39854 -1.398437      4.093395  -2.063558      4.199350  1.826576       59.48604 
1 1 1 -5  5   21 o 62.24272 29.67238 -5.416914      3.922059  -0.4258247     2.737489  -6.583534      50.44374 
1 1 1 -5  5   22 o 130.6883 35.93221 3.182984       3.110595  6.209284       2.906118  -34.32624      60.95364 
1 1 1 -5  5   23 o 92.71416 35.96631 1.218788       3.018189  3.185146       2.898277  -15.41310      57.34448 
1 1 1 -5  6   1  o 374.6616 13.80361 35.25135       3.314524  27.13556       3.101329  49.29968       27.78234 
1 1 1 -5  6   2  o 126.3015 30.01184 3.447725       2.352726  3.926301       2.281790  -6.570381      54.16896 
1 1 1 -5  6   3  o 318.5159 15.04844 23.04069       3.029180  21.81147       2.904532  8.681793       30.29484 
1 1 1 -5  6   4  o 499.8581 13.22370 54.00684       4.161842  56.05999       4.034529  -9.556366      26.57022 
1 1 1 -5  6   5  o 300.9185 15.92226 19.63250       3.033664  20.45616       2.894374  -6.611847      32.21800 
1 1 1 -5  6   6  o 124.4500 32.72239 3.970754       2.636606  3.381134       2.488155  8.418411       57.52353 
1 1 1 -5  6   7  o 278.2148 17.13633 18.34132       3.085171  16.33830       2.818967  15.81589       34.76902 
1 1 1 -5  6   8  o 360.9365 20.95189 0.000000       0.000000  29.18287       3.302816  ?              ?        
1 1 1 -5  6   9  o 575.4274 14.11857 78.67934       5.303463  68.46530       4.811594  39.77777       28.39866 
1 1 1 -5  6   10 o 259.5102 19.18008 13.20825       3.120762  16.62272       3.013605  -30.98846      39.52982 
1 1 1 -5  6   11 o 590.3650 14.46119 80.03528       5.504037  73.96121       5.109741  23.08118       29.06584 
1 1 1 -5  6   12 o 203.5730 23.72591 9.567990       3.032036  9.117697       2.855914  4.588715       49.01042 
1 1 1 -5  6   13 o 456.8905 14.90555 45.31918       4.271477  46.90984       4.168135  -8.161133      29.99641 
1 1 1 -5  6   14 o 303.4993 19.44027 16.95378       3.795067  23.54888       3.503782  -51.76978      40.88021 
1 1 1 -5  6   15 o 135.0898 46.76247 7.448902       4.852031  0.7777396      4.697860  55.22069       75.74413 
1 1 1 -5  6   16 o 94.51891 39.55727 -2.372834      4.094809  3.179765       3.711192  -33.52428      64.75161 
1 1 1 -5  6   17 o 79.36880 36.29378 -2.995800      4.093985  0.1788745E-01  3.913690  -13.53178      61.55149 
1 1 1 -5  6   18 o 219.4965 29.50761 11.27818       3.480012  11.82098       4.571725  3.823044       63.84767 
1 1 1 -5  6   19 o 303.0912 26.84510 24.85712       5.121702  19.35619       4.877460  41.38211       57.66877 
1 1 1 -5  6   20 o 92.82904 39.88247 -2.367472      4.064982  4.651114       4.203054  -42.54266      64.98234 
1 1 1 -5  6   21 o 223.1967 27.98440 12.63311       4.759008  12.40646       3.242524  -22.91823      64.87688 
1 1 1 -5  6   22 o 99.08385 36.17978 1.350097       3.044642  3.688962       2.761577  -19.94400      57.93299 
1 1 1 -5  6   23 o 64.33630 29.92787 -0.8729563     3.054195  -0.7671624     2.754384  2.602043       49.69930 
1 1 1 -5  7   1  o 250.7487 18.58143 12.28982       2.870263  15.64264       2.869145  -31.14343      38.09600 
1 1 1 -5  7   2  o 400.3120 14.52107 34.15558       3.576302  36.60422       3.624020  -13.95929      29.19124 
1 1 1 -5  7   3  o 339.8946 14.82765 26.04164       3.172094  25.05634       3.068091  6.482056       29.85073 
1 1 1 -5  7   4  o 145.0071 29.78795 4.883280       2.639955  4.912722       2.542290  -0.3727417     56.22388 
1 1 1 -5  7   5  f 112.2360 34.29796 1.857387       2.676213  3.853049       2.545428  -23.11409      57.43357 
1 1 1 -5  7   6  f 131.4673 32.63109 5.169818       2.696757  3.117643       2.602967  27.21925       57.75626 
1 1 1 -5  7   7  o 352.4024 15.85707 35.60023       3.754009  21.69153       3.221737  88.51624       32.18896 
1 1 1 -5  7   8  o 436.8239 14.93821 44.82601       4.218911  40.09249       3.885388  24.11804       30.08416 
1 1 1 -5  7   9  o 150.2809 31.14269 4.435693       2.878026  6.023273       2.742312  -20.86533      58.33518 
1 1 1 -5  7   10 o 431.4974 15.05829 46.40157       4.226384  36.69258       3.848905  50.87766       30.27203 
1 1 1 -5  7   11 o 155.6820 30.66158 3.341830       2.933502  7.642025       2.783716  -55.02927      56.74243 
1 1 1 -5  7   12 o 344.5753 17.08955 27.06445       3.691478  25.57164       3.593393  9.788300       34.46883 
1 1 1 -5  7   13 o 364.5220 19.10245 29.28335       5.333532  29.69054       3.706430  -6.837311      41.61799 
1 1 1 -5  7   14 o 257.5051 30.00974 14.56168       4.821590  15.65511       4.594413  -11.11143      62.65691 
1 1 1 -5  7   15 o 680.8307 22.86809 95.40134       9.432830  112.5627       9.870564  -56.90991      46.28820 
1 1 1 -5  7   16 o 232.2902 33.96124 14.70817       5.019208  11.06702       4.518234  33.37440       69.93132 
1 1 1 -5  7   17 o 518.2241 18.77723 65.49863       5.246443  50.28126       7.304472  79.29388       42.90447 
1 1 1 -5  7   18 o 111.3964 43.90310 2.056329       4.533453  2.877148       4.395862  -4.683746      71.31023 
1 1 1 -5  7   19 o 166.4702 43.96995 5.739743       4.654989  9.749523       4.561148  -37.25793      76.15289 
1 1 1 -5  7   20 o 122.0111 44.75532 2.927201       4.603036  5.179103       4.282905  -15.37238      71.73846 
1 1 1 -5  7   21 o 116.1941 37.72790 4.330215       3.297271  3.426899       2.953718  8.900635       62.41930 
1 1 1 -5  7   22 o 92.05014 36.53381 3.110941       3.374486  1.288107       2.900161  16.26962       58.89658 
1 1 1 -5  7   23 o 74.40096 32.83092 0.3001537      3.171004  0.7148290      2.791561  0.4746323      53.05221 
1 1 1 -5  8   1  o 96.22163 39.09436 0.9989724      2.581743  0.000000       0.000000  ?              ?        
1 1 1 -5  8   2  o 233.1548 19.62667 11.41012       2.871692  12.83161       2.756426  -14.68903      40.38377 
1 1 1 -5  8   3  o 280.7585 18.77318 20.03008       3.337863  15.35748       3.170129  38.11078       38.29728 
1 1 1 -5  8   4  o 383.5210 15.42261 31.78509       3.637894  33.45609       3.685876  -9.910187      31.08624 
1 1 1 -5  8   5  o 206.2832 22.16251 6.514244       2.786496  12.76458       2.796590  -72.02393      47.94118 
1 1 1 -5  8   6  o 269.6535 18.41309 16.96323       3.137340  15.62282       2.990920  11.03317       37.47152 
1 1 1 -5  8   7  o 83.47565 33.93236 0.8040246      2.820871  0.7162017      2.688286  2.593285       56.21321 
1 1 1 -5  8   8  o 270.6816 19.71131 16.71687       3.460009  16.07379       3.137646  4.511047       40.27109 
1 1 1 -5  8   9  o 301.5957 18.80227 24.29737       3.811563  17.22807       3.254391  52.43015       38.08360 
1 1 1 -5  8   10 o 216.8628 27.97109 17.02093       5.031231  8.342628       3.035031  80.85675       58.13314 
1 1 1 -5  8   11 o 293.3020 26.95051 17.82719       5.008567  20.67394       4.703108  -23.93860      56.11197 
1 1 1 -5  8   12 o 267.1050 43.29424 16.81982       4.898905  0.000000       0.000000  ?              ?        
1 1 1 -5  8   13 o 473.3199 21.72670 49.35200       6.508048  50.62811       6.225671  -7.004395      44.06367 
1 1 1 -5  8   14 o 182.2511 41.46693 7.236181       4.664180  8.640264       4.504153  -14.27843      76.00449 
1 1 1 -5  8   15 o 214.2899 33.09749 10.80981       3.782906  10.49696       4.973290  7.926132       68.94391 
1 1 1 -5  8   16 o 275.1041 25.48550 14.75031       3.715532  22.41400       5.289349  -55.38647      53.46268 
1 1 1 -5  8   17 o 605.2564 22.70776 80.49441       8.385463  86.36795       8.641472  -21.21906      46.38975 
1 1 1 -5  8   18 o 106.5878 42.98574 2.898519       4.457580  1.305916       4.300936  11.66272       69.88248 
1 1 1 -5  8   19 o 146.0699 45.54340 3.814539       4.566279  8.585668       4.577511  -39.62720      74.80034 
1 1 1 -5  8   20 o 184.2915 29.63040 5.919611       3.605479  10.36526       3.017537  -59.00789      60.32959 
1 1 1 -5  8   21 o 114.3540 38.31716 4.923385       3.476935  2.931838       2.981426  18.63978       62.98690 
1 1 1 -5  8   22 o 197.5292 29.15796 11.87633       3.791108  8.994907       3.211535  22.89059       62.89642 
1 1 1 -5  8   23 o 85.56558 35.62051 -0.4662390     3.330450  3.482370       2.959689  -24.31551      56.08186 
1 1 1 -5  8   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  9   1  o 203.7726 37.41159 8.852414       4.780615  10.70059       4.358183  -20.43129      73.26678 
1 1 1 -5  9   2  o 226.5600 31.58331 9.840875       4.325190  13.95664       4.311296  -42.39110      65.35886 
1 1 1 -5  9   3  o 223.9489 31.90863 13.04885       4.459661  10.46168       4.169940  25.37491       65.73367 
1 1 1 -5  9   4  o 160.9709 44.18689 11.25130       4.972885  2.889022       4.212442  80.89760       73.95349 
1 1 1 -5  9   5  o 157.1915 43.11634 5.066311       4.480032  6.944279       4.193985  -17.74997      74.62547 
1 1 1 -5  9   6  o 90.22050 38.71847 -2.220996      4.140025  2.014110       3.674398  -21.70176      64.11992 
1 1 1 -5  9   7  o 247.7200 30.08213 14.34757       4.690656  13.84628       4.381107  3.283096       62.75812 
1 1 1 -5  9   8  o 267.5792 33.42835 11.23105       5.348720  21.94709       5.510688  -93.31036      70.39565 
1 1 1 -5  9   9  o 846.6274 24.07422 155.9441       12.79915  162.9066       12.46829  -19.58813      48.62113 
1 1 1 -5  9   10 o 276.2734 30.37325 19.22821       5.407878  15.71251       4.872917  28.12244       62.93629 
1 1 1 -5  9   11 o 518.1763 23.03805 55.01756       7.496275  64.33045       7.281857  -42.04102      46.87392 
1 1 1 -5  9   12 o 97.79919 42.25107 -0.5033376E-01 3.314560  0.000000       0.000000  ?              ?        
1 1 1 -5  9   13 o 156.2170 35.43480 5.040812       3.368268  6.536910       3.341091  -17.84042      64.82791 
1 1 1 -5  9   14 o 243.0812 34.11199 13.87103       5.248625  13.54344       4.787744  1.072998       70.61619 
1 1 1 -5  9   15 o 84.51225 39.02015 -3.666684      5.072908  -1.101260      4.534011  -5.428741      66.70827 
1 1 1 -5  9   16 o 317.5292 27.86422 24.50041       5.493887  22.02345       5.373778  17.85312       58.14246 
1 1 1 -5  9   17 o 311.1383 28.13818 20.78794       5.301282  24.65139       5.446002  -28.72958      59.49401 
1 1 1 -5  9   18 o 209.1331 32.44591 11.33776       4.999248  10.49062       3.523357  -5.244217      69.55474 
1 1 1 -5  9   19 o 69.72637 31.93425 -2.985633      3.169206  1.220143       3.060507  -22.55779      53.58784 
1 1 1 -5  9   20 o 116.4129 38.68987 3.717235       3.441218  3.806826       3.112425  -0.4432678     63.64233 
1 1 1 -5  9   21 f 105.3048 37.51026 3.823695       3.526474  2.746004       2.778140  10.61973       61.17081 
1 1 1 -5  9   22 o 84.94766 38.79884 0.4702445      3.220478  0.000000       0.000000  ?              ?        
1 1 1 -5  9   23 o 172.7570 32.13476 7.591850       3.532556  9.154125       3.136633  -26.02820      64.37592 
1 1 1 -5  9   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  10  1  o 154.1140 44.12398 3.022610       4.443752  8.551223       4.422397  -52.10684      73.81071 
1 1 1 -5  10  2  o 103.1900 43.00065 2.926004       4.982566  -0.4856402     4.239234  29.48225       71.78922 
1 1 1 -5  10  3  o 191.3722 39.18781 10.66472       4.710158  7.290764       4.307528  34.29582       74.04074 
1 1 1 -5  10  4  o 215.7287 38.02047 16.67680       5.585936  7.600408       4.420338  84.36775       73.68280 
1 1 1 -5  10  5  f 220.7391 33.23624 11.15965       4.554385  11.55173       4.278467  -5.352112      68.10822 
1 1 1 -5  10  6  o 199.6998 38.59865 10.97676       4.785753  8.151521       4.449584  28.57904       74.17033 
1 1 1 -5  10  7  o 361.1538 25.47474 29.19136       5.844619  29.35588       5.511104  -2.103790      52.09952 
1 1 1 -5  10  8  o 563.6521 22.63548 74.87294       8.124787  66.92107       7.689730  31.56616       45.70283 
1 1 1 -5  10  9  o 280.4290 29.41737 19.09061       5.077675  16.49677       5.005583  21.66483       61.01226 
1 1 1 -5  10  10 o 258.3530 30.44408 16.36004       4.775412  13.96591       4.795552  22.04846       63.33313 
1 1 1 -5  10  11 o 382.4504 34.84139 0.000000       0.000000  33.46523       5.780726  ?              ?        
1 1 1 -5  10  12 o 239.0420 49.58110 14.02220       5.028018  0.000000       0.000000  ?              ?        
1 1 1 -5  10  13 o 295.6606 30.39146 19.52894       5.572055  20.43340       5.420374  -8.040771      63.44176 
1 1 1 -5  10  14 o 116.1981 45.32878 4.291656       4.876927  0.4018071      4.570977  30.50730       74.49438 
1 1 1 -5  10  15 o 187.4229 38.31020 5.762626       5.305539  9.827857       3.714822  -41.98962      72.70978 
1 1 1 -5  10  16 o 131.5205 38.69185 3.181238       3.519687  5.170308       3.232644  -20.14333      65.49866 
1 1 1 -5  10  17 o 98.65363 37.29021 3.884339       3.238123  0.3443155      3.020164  33.70263       60.72328 
1 1 1 -5  10  18 o 271.1388 30.60482 0.000000       0.000000  17.95510       3.576310  ?              ?        
1 1 1 -5  10  19 o 82.82134 35.11029 1.901635       3.316306  0.3110499E-01  2.967068  16.26437       57.49025 
1 1 1 -5  10  20 o 129.1013 38.38539 5.131376       3.606561  4.514267       3.059601  4.814484       65.11140 
1 1 1 -5  10  21 o 73.61611 33.29683 -0.6004918     3.446140  0.4718195      3.091239  -2.721130      54.24636 
1 1 1 -5  10  22 o 69.81730 32.00413 2.557099       3.387172  -2.373577      2.934081  30.14684       53.57398 
1 1 1 -5  10  23 o 327.4312 19.39680 28.08244       4.146680  24.57843       3.730417  17.68579       41.55177 
1 1 1 -5  10  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  11  1  o 136.3661 36.76108 1.695889       3.113463  7.358372       3.250610  -65.37776      60.96265 
1 1 1 -5  11  2  o 207.4672 27.43252 10.04137       3.577778  9.656552       3.324240  3.251740       56.74075 
1 1 1 -5  11  3  o 119.0196 38.83706 4.025669       3.387650  2.441670       3.209264  17.79018       64.82845 
1 1 1 -5  11  4  o 168.6113 34.36573 7.617778       3.792283  6.009756       3.221724  18.74416       65.31637 
1 1 1 -5  11  5  o 282.7834 21.25930 17.47761       3.810699  18.21701       3.601966  -6.732697      43.48305 
1 1 1 -5  11  6  o 227.3962 26.18564 12.33823       3.844309  11.17408       3.441700  10.53194       54.31106 
1 1 1 -5  11  7  o 176.1011 32.71693 4.790406       3.591103  9.225324       3.310830  -52.23750      62.34399 
1 1 1 -5  11  8  o 188.4322 30.08469 9.441654       3.638103  7.129247       3.200512  26.37758       60.29027 
1 1 1 -5  11  9  o 384.8692 18.80509 35.74259       4.672206  30.40016       4.302566  31.18027       37.95139 
1 1 1 -5  11  10 o 229.1994 26.66035 14.10072       3.978104  10.19761       3.506102  38.12592       55.17955 
1 1 1 -5  11  11 o 361.3331 26.26142 0.000000       0.000000  29.45221       4.133830  ?              ?        
1 1 1 -5  11  12 o 97.14012 39.86950 1.667450       3.326985  -0.4627923     4.716492  -1.148712      66.54107 
1 1 1 -5  11  13 o 239.8116 26.17008 12.32399       3.861313  13.78328       3.799355  -14.75728      54.50283 
1 1 1 -5  11  14 o 331.3078 21.97849 23.93227       4.567551  25.33302       4.418974  -10.41415      44.92039 
1 1 1 -5  11  15 o 369.1685 19.99781 30.63063       4.653364  30.63692       4.476683  -0.7702637     40.72096 
1 1 1 -5  11  16 o 237.6286 25.35693 12.25534       3.752285  13.85497       3.611882  -17.28036      53.60899 
1 1 1 -5  11  17 o 108.2749 38.77114 5.271691       3.524679  0.8039694      3.116073  43.76611       63.11971 
1 1 1 -5  11  18 o 340.9094 20.04437 25.84492       4.265534  27.85248       4.176169  -14.75015      41.57639 
1 1 1 -5  11  19 o 155.7141 36.62266 7.452144       3.581046  5.885059       3.382947  16.08578       67.02147 
1 1 1 -5  11  20 o 137.6998 37.94712 3.854604       3.527495  6.848052       3.188268  -32.57254      64.35164 
1 1 1 -5  11  21 o 92.56809 37.18104 -3.489641      3.340912  7.543064       3.185750  -79.41981      56.08690 
1 1 1 -5  11  22 o 59.27465 28.66103 -2.846827      3.478288  -1.672405      2.995754  0.3355713      48.21881 
1 1 1 -5  11  23 o 112.0917 38.97821 5.299874       3.539909  3.715882       3.133191  10.89363       61.97155 
1 1 1 -5  12  1  o 164.5432 35.55865 6.194508       3.509527  6.476740       3.537403  -3.353226      66.12923 
1 1 1 -5  12  2  o 97.50742 37.74020 0.7875354      3.195408  2.168646       3.306807  -13.55589      62.34599 
1 1 1 -5  12  3  o 181.7553 33.23856 6.451146       3.676433  8.778757       3.546056  -27.34048      64.50143 
1 1 1 -5  12  4  o 104.7633 38.92390 3.058534       3.440423  0.9966266      3.308717  20.27840       64.15415 
1 1 1 -5  12  5  o 107.0477 39.29734 3.382649       3.634117  1.161581       3.239403  24.60846       65.03922 
1 1 1 -5  12  6  o 149.9242 37.09542 5.272728       3.643438  5.294267       3.251633  0.9463348      66.45267 
1 1 1 -5  12  7  o 229.0056 25.97931 15.16007       4.052900  9.613225       3.309762  53.61958       53.59626 
1 1 1 -5  12  8  o 431.1989 17.77449 40.24314       4.891556  42.01242       4.609325  -9.955780      35.93494 
1 1 1 -5  12  9  o 151.4076 35.84217 4.324061       3.468099  6.330441       3.178425  -23.08136      64.46393 
1 1 1 -5  12  10 o 260.0119 22.86843 15.45039       3.789980  14.98635       3.526132  3.188065       47.06363 
1 1 1 -5  12  11 o 88.89355 39.98151 0.000000       0.000000  -1.195288      3.264407  ?              ?        
1 1 1 -5  12  12 o 385.1980 21.37079 34.06278       5.267029  32.44695       4.923266  8.640076       43.42553 
1 1 1 -5  12  13 o 157.9228 39.60392 0.8580127      4.027998  10.44893       3.733363  -95.56788      63.65301 
1 1 1 -5  12  14 o 324.9994 23.25396 22.06438       4.689997  25.67589       4.624902  -26.40115      47.94099 
1 1 1 -5  12  15 o 71.45050 33.03605 -0.4175264     3.620562  -2.606503      3.292014  16.51837       56.86587 
1 1 1 -5  12  16 o 89.36448 37.00928 -0.9831767     3.462523  2.678217       3.252799  -24.78823      60.37878 
1 1 1 -5  12  17 o 140.4145 38.98325 1.735588       3.576435  8.477934       3.457964  -69.14384      63.36419 
1 1 1 -5  12  18 o 251.8475 25.38620 17.25174       4.004095  13.63927       3.825841  32.73657       55.06562 
1 1 1 -5  12  19 o 68.52798 32.07067 -1.492552      3.562562  -1.186842      3.264351  1.717026       53.74103 
1 1 1 -5  12  20 f 77.54552 34.81538 -0.3096640     3.632058  0.7390420      3.351319  -3.382156      56.40862 
1 1 1 -5  12  21 o 64.75208 30.69272 -2.036059      3.482512  -0.5816199     3.145380  -3.112640      50.67326 
1 1 1 -5  12  22 o 77.46500 34.30191 1.681491       3.458436  0.3764704      3.095389  8.973824       54.66515 
1 1 1 -5  12  23 o 96.68184 38.29090 2.182539       3.628996  4.217391       3.226600  -13.26375      58.86239 
1 1 1 -5  13  1  o 113.4082 40.81417 2.375596       3.376209  2.710215       4.040120  -9.536629      67.91764 
1 1 1 -5  13  2  o 213.3734 28.76458 9.205290       3.543274  11.71550       3.903627  -26.19696      59.02186 
1 1 1 -5  13  3  o 340.5696 20.08720 23.99862       4.209726  27.54115       4.240088  -23.99390      40.72983 
1 1 1 -5  13  4  o 193.4619 33.54718 11.07790       3.889912  6.240169       3.870331  53.85110       65.30441 
1 1 1 -5  13  5  o 100.3092 39.18757 3.400751       3.589581  -0.3331018     3.471894  32.68898       64.35580 
1 1 1 -5  13  6  o 155.1906 38.36708 2.303346       3.887417  8.417122       3.489435  -64.15498      65.15216 
1 1 1 -5  13  7  f 183.7580 32.75775 7.024133       3.757497  8.520986       3.455573  -18.02486      64.32386 
1 1 1 -5  13  8  o 153.8517 38.07528 6.009091       3.967353  5.359987       3.340775  8.718628       68.48370 
1 1 1 -5  13  9  o 246.2288 25.77874 15.07972       4.166411  12.72815       3.644181  20.21135       53.51443 
1 1 1 -5  13  10 o 102.9064 39.18400 1.701523       3.613559  2.002998       3.331656  0.3530502      64.58138 
1 1 1 -5  13  11 o 151.0863 44.25664 2.166747       5.951343  6.797797       3.664937  -27.48514      75.23663 
1 1 1 -5  13  12 o 119.6191 42.08367 3.556796       4.024400  2.651291       3.740434  10.31506       69.63497 
1 1 1 -5  13  13 o 181.4503 52.25131 0.000000       0.000000  8.395955       4.383634  ?              ?        
1 1 1 -5  13  14 o 220.2872 31.36956 12.20383       4.396341  10.84235       3.967785  11.51994       65.24825 
1 1 1 -5  13  15 o 89.43782 38.28343 -0.6909799     4.055138  1.351058       3.556693  -7.763786      63.13595 
1 1 1 -5  13  16 o 162.4787 39.19611 7.574604       4.114027  6.337623       3.724282  11.73480       71.15521 
1 1 1 -5  13  17 o 100.5966 39.75374 2.490604       3.958028  1.915710       3.433954  7.564491       64.52719 
1 1 1 -5  13  18 o 70.16871 32.80405 -3.455346      3.678462  0.6102269      3.426283  -16.25469      54.84887 
1 1 1 -5  13  19 o 103.1040 39.76529 4.377709       3.770440  1.644895       3.448016  21.16706       63.64869 
1 1 1 -5  13  20 o 104.0054 39.57631 4.952054       3.785303  2.062028       3.324047  21.49010       62.95351 
1 1 1 -5  13  21 o 83.31324 35.92234 3.788728       3.594054  -0.1664434     3.192353  24.48247       57.25948 
1 1 1 -5  13  22 o 96.58566 37.89325 -1.173192      3.282654  7.826853       3.341482  -63.11258      58.00401 
1 1 1 -5  13  23 o 137.5455 38.65367 5.234772       3.549759  8.118546       3.328996  -29.00333      64.11700 
1 1 1 -5  14  1  o 287.4406 25.53626 19.40556       4.129355  17.31854       5.008721  20.17923       54.51377 
1 1 1 -5  14  2  o 200.0764 34.33498 10.02620       3.824771  8.257419       4.465105  20.46939       68.44657 
1 1 1 -5  14  3  o 319.3098 22.85867 22.44717       4.399169  23.14683       4.603310  -4.534515      46.55859 
1 1 1 -5  14  4  o 505.1313 18.37529 58.86865       5.908968  54.47636       5.599843  19.38492       37.01813 
1 1 1 -5  14  5  o 117.6799 40.74074 4.902903       3.792633  1.294242       3.474249  36.83563       67.08852 
1 1 1 -5  14  6  o 366.0446 20.78943 30.85445       4.818581  28.99143       4.591897  11.17191       42.13926 
1 1 1 -5  14  7  o 180.4362 36.68573 7.955810       4.348076  7.536624       3.669855  3.930649       70.05204 
1 1 1 -5  14  8  o 115.2173 40.56337 4.519504       3.718325  1.318862       3.492658  31.58234       66.68400 
1 1 1 -5  14  9  o 236.7474 28.60736 12.27716       4.431670  13.30468       3.859689  -13.27757      60.50644 
1 1 1 -5  14  10 o 214.4015 33.51908 8.801139       4.658805  12.19532       4.032795  -38.00497      68.57480 
1 1 1 -5  14  11 o 132.5865 43.65543 0.4738611      4.762095  6.275416       3.739160  -42.49390      70.41552 
1 1 1 -5  14  12 o 442.2814 21.15262 42.85119       6.017488  44.76959       5.580278  -11.63297      43.17622 
1 1 1 -5  14  13 o 244.6789 29.12492 9.831681       4.411477  17.77406       4.260281  -78.55969      62.88522 
1 1 1 -5  14  14 o 480.1212 19.53971 46.81146       5.859139  57.09811       5.756881  -50.39542      40.09080 
1 1 1 -5  14  15 o 171.8221 37.86256 5.570083       4.190576  9.105349       3.706872  -39.79849      69.43952 
1 1 1 -5  14  16 o 81.55746 36.67122 -0.9364159     4.256680  0.1618714E-01  3.589244  1.566704       60.87700 
1 1 1 -5  14  17 o 86.15086 37.69466 -5.106049      4.171239  4.840590       3.562755  -50.57887      60.34113 
1 1 1 -5  14  18 o 138.4139 42.46788 7.913092       4.270333  4.288073       3.765010  29.85240       70.73729 
1 1 1 -5  14  19 o 79.83129 36.07623 -0.7285678     4.067275  1.100601       3.596638  -5.588753      58.14157 
1 1 1 -5  14  20 o 70.04424 32.90415 -1.710778      3.826969  0.6243080E-01  3.479637  -4.685768      53.53204 
1 1 1 -5  14  21 o 76.93135 35.12704 -1.967490      3.872898  2.842466       3.601114  -19.77008      55.79841 
1 1 1 -5  14  22 o 77.87302 35.25415 1.649075       3.970865  1.066394       3.408983  4.129402       54.82301 
1 1 1 -5  14  23 o 72.78389 33.61223 -2.177377      3.613103  3.746828       3.490524  -23.54523      52.81184 
1 1 1 -5  15  1  o 132.4482 43.52718 4.951854       3.700146  2.385422       4.772374  15.16370       72.37550 
1 1 1 -5  15  2  o 92.33699 39.47991 -0.1665494     3.580829  0.7053510      4.653340  -18.54802      66.92168 
1 1 1 -5  15  3  o 282.8232 26.69303 22.07409       4.549819  13.86989       4.709631  70.08864       57.65376 
1 1 1 -5  15  4  o 85.62659 37.47113 0.2277717E-01  3.639888  -0.8248001     3.954026  1.269279       62.98869 
1 1 1 -5  15  5  o 306.4710 23.36429 19.75279       4.427301  22.47383       4.389565  -20.95200      47.98641 
1 1 1 -5  15  6  o 78.16316 35.28090 -0.6841449     3.728339  -1.517083      3.542173  7.519539       60.05423 
1 1 1 -5  15  7  o 113.4178 41.31822 3.852588       3.904197  1.502091       3.648142  22.76444       68.03777 
1 1 1 -5  15  8  f 178.2939 40.77930 9.607924       4.891733  6.375540       4.050327  33.01411       74.98335 
1 1 1 -5  15  9  o 119.2161 42.80917 5.618241       4.154773  0.6199973      3.912482  44.78765       69.73014 
1 1 1 -5  15  10 o 90.46703 39.34111 1.665622       4.343716  -1.637528      3.925322  25.53359       66.23790 
1 1 1 -5  15  11 o 147.3159 47.64427 -1.074219      5.355835  10.07089       4.648487  -83.54137      73.51869 
1 1 1 -5  15  12 o 181.2836 39.69144 4.476625       4.646651  10.95401       4.086102  -65.91209      70.96136 
1 1 1 -5  15  13 o 140.1704 42.82591 5.496595       4.349395  4.614173       3.833291  9.622162       72.50359 
1 1 1 -5  15  14 o 329.1921 24.97272 19.09788       5.259286  30.52947       4.884475  -88.08945      56.12848 
1 1 1 -5  15  15 o 160.5800 42.52503 8.700208       4.617760  5.808174       4.043839  25.84773       74.76630 
1 1 1 -5  15  16 o 73.45567 34.31613 -0.9100559     4.251359  -1.912235      3.573648  11.30485       57.98100 
1 1 1 -5  15  17 o 175.7739 38.42185 9.446940       4.505267  8.384069       3.743969  1.666580       72.96591 
1 1 1 -5  15  18 f 85.82195 37.64475 2.999778       4.205168  -0.4415917     3.559788  22.33372       61.18122 
1 1 1 -5  15  19 o 122.9740 43.25616 4.482027       4.468429  5.903549       3.799317  -12.21361      68.08067 
1 1 1 -5  15  20 o 66.74191 32.01603 -3.354601      4.114124  0.1316722      3.584088  -8.165558      52.12365 
1 1 1 -5  15  21 o 67.15392 32.19518 -2.065701      4.174838  -0.4007319     3.594635  -2.013573      51.95811 
1 1 1 -5  15  22 o 89.89153 38.47105 6.767994       4.224026  0.6321486      3.509448  29.11205       59.40049 
1 1 1 -5  15  23 o 71.40639 36.31650 -4.875603      6.146003  0.000000       0.000000  ?              ?        
1 1 1 -5  16  1  o 339.9765 28.19290 24.63172       5.100118  29.20113       7.224422  -22.91290      60.45018 
1 1 1 -5  16  2  o 241.7185 34.77582 9.186907       4.449024  21.61207       6.035263  -107.2363      70.07054 
1 1 1 -5  16  3  o 283.4284 30.78605 21.03083       4.873076  14.45612       5.933970  60.98836       68.64503 
1 1 1 -5  16  4  o 220.5042 43.10633 14.16968       6.348386  10.02847       5.193563  35.33200       83.33582 
1 1 1 -5  16  5  o 136.3604 45.51567 4.338817       4.228620  4.142085       4.873676  -2.313171      75.90240 
1 1 1 -5  16  6  o 262.7978 31.34367 14.24355       4.965936  17.60261       5.053225  -29.99219      65.61678 
1 1 1 -5  16  7  o 209.4273 36.08896 9.275701       4.557719  11.36943       4.481588  -22.15054      71.67757 
1 1 1 -5  16  8  o 199.9057 39.24334 2.281621       4.755756  16.50339       4.631881  -133.4192      67.25309 
1 1 1 -5  16  9  o 369.7364 26.15368 39.14544       6.254647  24.32690       5.703013  91.31628       54.62015 
1 1 1 -5  16  10 o 121.2399 43.83437 3.869916       4.249923  2.537177       4.214299  11.11969       71.98416 
1 1 1 -5  16  11 o 121.2522 44.13112 2.527539       4.432864  3.949771       4.176554  -9.595169      72.20394 
1 1 1 -5  16  12 f 133.9146 44.60530 5.693414       4.444228  3.448958       4.239966  19.93819       73.71200 
1 1 1 -5  16  13 o 216.5629 36.16225 8.574040       4.782215  14.64288       4.596873  -62.90115      72.49671 
1 1 1 -5  16  14 o 140.4440 43.15067 4.376420       4.492353  6.190848       3.829647  -16.06703      72.02459 
1 1 1 -5  16  15 f 76.43865 35.61037 -4.092409      4.532862  0.4574873      3.801837  -12.54246      59.35968 
1 1 1 -5  16  16 o 88.91328 38.78510 -1.202518      4.483780  2.628960       3.689919  -14.95721      62.00283 
1 1 1 -5  16  17 o 203.1534 35.94819 12.58908       4.748695  10.74406       4.060584  6.930191       74.35887 
1 1 1 -5  16  18 o 76.16955 35.59199 -2.073195      4.362165  0.7483616      3.993303  -8.554298      57.60448 
1 1 1 -5  16  19 o 90.69640 39.09491 3.139236       4.326502  1.735922       3.730922  8.166664       60.87663 
1 1 1 -5  16  20 o 77.09328 35.48708 -0.5901226     4.189079  1.860759       3.683190  -7.635536      55.53554 
1 1 1 -5  16  21 o 78.21747 35.57175 1.546889       4.084412  1.533946       3.528833  1.262787       54.70358 
1 1 1 -5  16  22 f 55.44437 27.54713 -2.601274      4.073878  -3.371020      3.358867  6.266785       45.54305 
1 1 1 -5  17  1  o 55.74223 28.31722 -10.01847      4.823777  -17.96524      5.617354  5.748344       52.97793 
1 1 1 -5  17  2  o 416.7487 33.12955 39.90273       6.006265  0.000000       0.000000  ?              ?        
1 1 1 -5  17  3  o 86.52939 41.79981 -6.742923      4.799759  0.000000       0.000000  ?              ?        
1 1 1 -5  17  4  o 94.80511 44.49027 -3.979938      4.686009  0.000000       0.000000  ?              ?        
1 1 1 -5  17  5  o 146.1202 50.06104 13.22004       5.232851  -4.933503      5.732175  125.2145       72.13923 
1 1 1 -5  17  6  o 213.4494 54.63859 11.71162       5.136711  0.000000       0.000000  ?              ?        
1 1 1 -5  17  7  o 62.02538 30.86932 -7.361245      4.575145  -8.382209      4.795809  0.7210541E-01  56.01109 
1 1 1 -5  17  8  o 247.7210 32.86829 16.77160       5.140753  12.47531       4.736513  38.23843       68.74406 
1 1 1 -5  17  9  o 137.1822 45.48907 3.624687       4.616530  5.538128       4.416677  -15.30205      75.22774 
1 1 1 -5  17  10 o 133.5631 43.64651 0.7859396      4.140597  8.190595       4.181054  -65.40465      69.65594 
1 1 1 -5  17  11 o 171.1756 41.30465 5.249279       4.422758  9.720623       4.252612  -45.20905      73.22026 
1 1 1 -5  17  12 o 208.8571 37.27244 8.619786       4.780711  13.29357       4.532760  -49.67876      73.75868 
1 1 1 -5  17  13 o 128.6584 44.92259 6.070731       4.427123  3.012482       4.392343  23.89151       72.83227 
1 1 1 -5  17  14 o 84.04089 37.98003 -1.891412      4.311236  1.284996       4.141044  -14.04266      62.40072 
1 1 1 -5  17  15 o 123.8703 43.57933 4.290699       4.490193  5.067891       3.885068  -6.079002      69.91453 
1 1 1 -5  17  16 o 74.86177 35.11625 0.9783578      4.606987  -2.417534      3.762280  19.80872       58.68060 
1 1 1 -5  17  17 o 69.11594 33.17788 -3.125312      4.523878  -1.247106      3.808436  -0.8488464     54.93862 
1 1 1 -5  17  18 o 92.78786 39.65465 2.480432       4.448895  2.544876       3.735264  1.041412       61.55634 
1 1 1 -5  17  19 o 64.98619 31.55060 -1.415074      4.389940  -2.045300      3.687101  5.959496       51.45615 
1 1 1 -5  17  20 o 67.31349 32.45963 0.4121467      4.530909  -2.037401      3.694734  11.23344       52.45350 
1 1 1 -5  17  21 o 63.83972 31.10363 -2.944943      4.417017  0.3572498E-01  3.643276  -4.313095      49.33439 
1 1 1 -5  17  22 o 86.44202 38.51717 8.214094       4.679667  0.7496648      3.809301  25.19054       57.73902 
1 1 1 -5  18  1  o 108.4203 44.09887 1.214663       4.522371  2.113720       4.792869  -8.277283      72.47384 
1 1 1 -5  18  2  o 111.6729 45.78364 1.842677       4.452888  1.332272       6.020237  -9.961723      76.02145 
1 1 1 -5  18  3  f 82.54063 38.42731 -4.763348      4.316488  1.202459       5.446837  -40.10954      67.96462 
1 1 1 -5  18  4  o 405.7228 26.73967 48.66666       6.456630  24.96182       6.955760  145.3936       61.97551 
1 1 1 -5  18  5  o 130.8236 46.76031 4.429430       4.370536  3.203694       5.387730  3.358398       76.89586 
1 1 1 -5  18  6  o 189.2151 43.58234 8.341421       4.615206  10.08575       5.527046  -14.27386      80.59364 
1 1 1 -5  18  7  o 224.7135 37.06116 10.78634       4.724480  14.24788       5.296820  -30.34431      75.29713 
1 1 1 -5  18  8  o 120.6688 46.56081 3.696243       4.654159  2.257147       5.273746  5.775696       75.69134 
1 1 1 -5  18  9  o 110.8398 44.37138 3.097872       4.594700  1.425676       4.660890  10.48973       72.10907 
1 1 1 -5  18  10 o 92.47292 40.22582 -1.917861      4.373880  2.631726       4.246483  -24.70107      66.07948 
1 1 1 -5  18  11 o 75.40308 35.10707 0.5993319      3.929909  -4.056366      4.062282  20.25531       59.41602 
1 1 1 -5  18  12 o 151.6487 43.07008 5.567030       4.196981  7.431414       4.285565  -17.10339      73.69099 
1 1 1 -5  18  13 o 67.49870 33.28446 -3.799126      4.242657  -9.717112      6.370235  -4.026825      57.85074 
1 1 1 -5  18  14 o 93.08915 39.93698 -1.799264      4.270271  4.644866       4.007240  -33.95409      63.52995 
1 1 1 -5  18  15 o 86.56007 38.63198 -0.7254463E-01 4.413798  1.684405       4.050690  -6.253517      61.67249 
1 1 1 -5  18  16 o 94.17184 40.48257 0.7934934      4.349140  3.416557       4.180257  -12.72431      63.50067 
1 1 1 -5  18  17 o 71.76008 34.20851 -0.2010139     4.527851  -1.777040      3.965417  8.514404       55.60730 
1 1 1 -5  18  18 o 67.41271 32.71591 1.614748       4.621844  -4.166966      4.007919  19.72778       53.92081 
1 1 1 -5  18  19 o 83.90259 37.77044 0.8145161      4.587048  2.982205       3.787734  -7.128555      57.53929 
1 1 1 -5  18  20 o 80.35755 36.96235 3.967075       4.769822  1.137928       3.844125  9.696587       55.89695 
1 1 1 -5  18  21 o 125.3896 44.31161 6.514668       4.749304  9.266470       3.957090  -22.71069      64.48071 
1 1 1 -5  19  1  o 149.0431 48.10770 6.980935       5.061924  4.737729       5.064839  17.94798       79.73917 
1 1 1 -5  19  2  o 124.1581 45.92175 5.116450       4.496063  1.733607       4.899209  22.34671       74.33036 
1 1 1 -5  19  3  o 95.11196 41.70161 4.837086       4.264855  -7.293251      5.333585  51.96595       67.38242 
1 1 1 -5  19  4  o 192.4903 43.32161 10.78057       4.626564  7.842230       5.609373  31.18202       79.74899 
1 1 1 -5  19  5  o 154.6545 47.87105 7.768517       4.640489  4.406853       5.622429  25.64568       79.45012 
1 1 1 -5  19  6  o 113.4616 45.91607 6.274097       4.836337  -2.145085      5.211725  48.65628       73.29992 
1 1 1 -5  19  7  o 189.3389 44.82074 11.25952       4.772350  7.221900       5.719388  40.15141       80.42794 
1 1 1 -5  19  8  o 121.1155 45.84310 5.128555       4.512199  1.668688       4.969455  21.52824       73.63472 
1 1 1 -5  19  9  o 103.1361 43.44822 3.498760       4.592407  -0.4688260     4.902052  20.30886       70.11161 
1 1 1 -5  19  10 o 93.07313 41.24072 -0.2750210     4.433482  1.290447       5.077043  -12.36389      67.63663 
1 1 1 -5  19  11 o 72.89152 34.87809 -5.767175      4.279319  0.7200474      4.696083  -28.15905      60.27625 
1 1 1 -5  19  12 o 87.15454 38.38652 -1.738058      4.032949  3.169213       4.033196  -26.22192      62.27518 
1 1 1 -5  19  13 o 75.51772 36.07890 -1.760273      3.939218  -2.594100      6.413511  -13.32033      60.80757 
1 1 1 -5  19  14 o 87.42167 38.92717 -1.153515      4.455575  2.867367       4.087941  -16.86226      61.95528 
1 1 1 -5  19  15 o 89.11379 39.66230 2.166517       4.645019  0.8853657      4.219714  7.282814       62.58491 
1 1 1 -5  19  16 o 70.26102 33.68018 -3.165790      4.289492  0.3204354      4.139908  -10.33684      54.75784 
1 1 1 -5  19  17 o 74.19623 34.90878 1.150519       4.364341  -0.7409486     3.923067  8.305229       55.27234 
1 1 1 -5  19  18 o 79.24289 36.79387 -0.4469238     4.573412  2.887459       4.140720  -10.13422      56.41747 
1 1 1 -5  19  19 o 76.65273 35.93400 3.016022       4.571299  0.1784330      4.078370  9.464958       54.87898 
1 1 1 -5  19  20 o 65.47832 31.85144 2.719184       4.366343  -2.995595      3.916022  15.77821       50.32050 
1 1 1 -5  19  21 o 69.24171 33.28867 -2.384565      4.478848  3.781480       3.940431  -14.56523      50.37948 
1 1 1 -5  20  1  o 95.23930 41.81214 0.3898415      4.849628  0.5305497      4.655536  0.8062515      68.45643 
1 1 1 -5  20  2  o 110.5109 44.83926 5.327327       4.842683  -0.3825841     4.749631  35.72804       72.25520 
1 1 1 -5  20  3  o 74.89600 35.97294 -4.486842      4.463279  -2.526366      5.383968  -15.97047      62.41613 
1 1 1 -5  20  4  o 137.1625 48.19336 10.07794       4.870008  -0.6385942     5.320146  73.92752       74.45383 
1 1 1 -5  20  5  o 125.1561 47.76804 5.599174       4.563939  1.233349       6.059779  20.71074       76.04964 
1 1 1 -5  20  6  o 116.3765 46.27014 4.215315       4.545944  1.569854       5.618198  10.75716       74.04457 
1 1 1 -5  20  7  o 207.9943 42.94413 14.54018       5.027562  8.391576       5.761384  61.78693       80.03860 
1 1 1 -5  20  8  o 131.1706 48.50315 7.533650       4.794083  1.342554       5.799439  36.63268       76.09994 
1 1 1 -5  20  9  o 133.6621 48.02686 2.808895       4.536546  9.936794       5.853040  -47.13066      78.19801 
1 1 1 -5  20  10 o 84.43335 38.98902 1.582183       4.383825  -3.586302      5.295392  13.89451       63.37867 
1 1 1 -5  20  11 o 105.1964 44.12394 6.812732       4.608584  -1.767187      5.145798  41.82980       68.67556 
1 1 1 -5  20  12 o 106.5776 45.70831 1.253593       6.314788  4.450318       4.807794  -10.38349      70.65711 
1 1 1 -5  20  13 f 80.47730 38.77637 -2.034265      4.066787  0.000000       0.000000  ?              ?        
1 1 1 -5  20  14 o 83.15930 37.61346 0.1449251      4.276570  1.593273       4.039192  -5.188034      59.47642 
1 1 1 -5  20  15 f 79.61744 36.74567 -2.635192      4.244247  3.930016       4.223209  -25.34377      58.47659 
1 1 1 -5  20  16 o 88.74989 39.01869 4.512565       4.351619  1.083631       3.973403  15.13686       59.77538 
1 1 1 -5  20  17 o 66.13163 32.01710 -4.137281      4.132886  1.734900       3.949337  -15.97187      51.45388 
1 1 1 -5  20  18 o 65.97563 32.09898 0.1710494      4.401290  -1.853202      4.010324  6.672569       50.75374 
1 1 1 -5  20  19 o 60.97408 30.27515 0.9694411      4.722979  -4.388782      4.134130  12.65992       48.47105 
1 1 1 -5  20  20 o 59.04869 29.43598 -2.605252      4.516124  -1.450185      4.164960  -0.9610748     46.14315 
1 1 1 -5  21  1  o 127.2054 51.00849 8.277605       7.623693  2.973594       5.263984  28.86385       82.52837 
1 1 1 -5  21  2  o 114.8574 48.24173 1.549538       5.104674  6.259364       6.941147  -26.91741      77.93253 
1 1 1 -5  21  3  o 110.6246 49.68347 -0.9310979     6.384347  6.526855       8.127391  -30.56962      80.15939 
1 1 1 -5  21  4  o 99.18647 45.68829 2.217183       5.990963  -2.850719      7.165044  10.91219       73.17638 
1 1 1 -5  21  5  o 115.0199 49.95303 3.732585       6.183339  2.521653       7.170313  2.220757       78.14805 
1 1 1 -5  21  6  f 107.8877 47.65148 -1.201914      5.603036  8.176985       7.207978  -40.95304      77.36113 
1 1 1 -5  21  7  o 102.4927 48.84964 0.000000       0.000000  -0.5295222     6.077115  ?              ?        
1 1 1 -5  21  8  o 114.4040 46.66001 4.943962       4.762632  2.519088       5.854314  10.46236       72.62090 
1 1 1 -5  21  9  f 122.2268 46.86007 5.108336       4.448533  4.804278       5.751267  2.188820       73.41068 
1 1 1 -5  21  10 o 104.4641 45.14822 2.778059       4.681660  3.104065       6.444294  -5.163483      70.82366 
1 1 1 -5  21  11 f 112.4280 46.05804 3.992004       4.757322  4.605283       5.577653  -3.261894      71.23612 
1 1 1 -5  21  12 o 134.4855 52.42303 5.711096       7.760423  9.312059       5.446294  -21.88811      77.61010 
1 1 1 -5  21  13 o 74.68785 36.74424 -3.087281      4.220904  0.000000       0.000000  ?              ?        
1 1 1 -5  21  14 o 88.67207 39.54660 1.356850       4.306767  3.380041       4.531012  -8.509102      60.69074 
1 1 1 -5  21  15 o 86.53708 39.07688 2.316546       4.453845  2.766008       4.467376  -1.644394      59.01727 
1 1 1 -5  21  16 o 77.53300 36.29612 3.315766       4.558927  -0.5006200     4.194401  12.79729       55.93614 
1 1 1 -5  21  17 o 58.81411 29.26999 -3.784631      4.345772  -2.300925      4.081475  -1.785011      47.31210 
1 1 1 -5  21  18 o 67.80781 32.83126 -2.938615      4.311233  3.420357       4.187745  -15.40485      50.68111 
1 1 1 -5  21  19 o 61.83393 30.39239 -2.459866      4.160068  1.145974       3.954451  -7.311543      47.00362 
1 1 1 -5  22  1  o 88.59070 40.27499 1.254660       4.776548  -0.8623879     4.896834  8.120171       65.00701 
1 1 1 -5  22  2  o 97.98316 43.10276 3.533099       5.084943  -0.3878126     5.056108  17.78842       68.68519 
1 1 1 -5  22  3  o 147.4815 63.52204 10.43459       7.447903  0.000000       0.000000  ?              ?        
1 1 1 -5  22  4  o 120.5443 52.56070 5.261608       7.051333  3.606985       7.790174  4.837448       80.61403 
1 1 1 -5  22  5  o 81.31721 39.96252 -7.660439      6.608836  -1.854507      7.468025  -16.45514      66.82349 
1 1 1 -5  22  6  o 91.09944 43.69732 0.1948844      6.687995  -4.225222      7.639981  6.578117       70.05489 
1 1 1 -5  22  7  o 126.4811 51.89664 8.008158       6.852575  4.450194       6.217351  14.32238       79.27379 
1 1 1 -5  22  8  o 80.24422 38.33648 -0.9134656     4.549147  -3.185593      6.849943  -5.706978      62.72587 
1 1 1 -5  22  9  o 83.72204 39.80310 1.277565       4.981247  -4.393282      6.634882  8.091751       63.41476 
1 1 1 -5  22  10 o 95.27551 44.40631 1.015756       6.400658  2.660423       6.434726  -4.495087      68.18385 
1 1 1 -5  22  11 o 98.48225 45.86621 0.4183880      7.171978  5.359043       6.525670  -11.58708      68.94263 
1 1 1 -5  22  12 o 76.97111 38.99163 0.000000       0.000000  -7.673940      6.616491  ?              ?        
1 1 1 -5  22  13 o 75.72475 37.63325 -1.468035      6.749784  -3.352309      6.971922  2.274956       58.57196 
1 1 1 -5  22  14 o 73.73845 36.12709 -3.499247      5.409585  2.335075       5.777738  -12.34605      56.37107 
1 1 1 -5  22  15 o 92.63782 42.80526 5.648014       5.595804  3.214226       5.960884  6.436768       62.00555 
1 1 1 -5  22  16 o 72.01096 35.92410 0.7137206      6.821049  -1.306606      6.219882  3.288475       54.05996 
1 1 1 -5  22  17 o 73.01678 36.17912 0.6874470      6.278074  1.714437       6.046071  -1.291969      53.35823 
1 1 1 -5  22  18 o 66.82170 33.42696 -1.295967      6.015047  1.185089       5.608898  -2.756241      49.78881 
1 1 1 -5  23  1  o 92.52261 41.60906 3.961066       4.868160  -1.290079      5.139897  19.91742       65.51389 
1 1 1 -5  23  2  o 83.85712 38.98805 1.839462       4.911722  -1.883166      4.886782  13.42948       62.53163 
1 1 1 -5  23  3  o 87.39330 40.26295 2.753046       4.962180  -1.835374      5.144476  15.78931       63.99587 
1 1 1 -5  23  4  o 82.84609 39.95243 -4.208135      4.933045  6.694134       9.126687  -36.96980      69.06440 
1 1 1 -5  23  5  o 105.5689 44.47852 5.177641       4.730289  1.760876       5.245769  15.32851       68.32274 
1 1 1 -5  23  6  o 69.83475 33.98122 -0.9365270     4.419125  -5.136200      5.048918  7.437683       56.01202 
1 1 1 -5  23  7  o 82.53712 38.61544 2.475429       4.659839  -2.714881      5.249916  14.52261       61.11799 
1 1 1 -5  23  8  f 79.76409 38.54886 3.833925       6.509546  -4.476265      5.264624  24.14912       62.70291 
1 1 1 -5  23  9  o 106.7032 51.08643 6.580330       6.807434  0.000000       0.000000  ?              ?        
1 1 1 -5  23  10 o 109.5016 50.90171 6.279433       6.860744  12.53548       11.56577  -2.889267      72.31808 
1 1 1 -5  23  11 o 85.52459 42.00980 0.4677177      6.180409  3.244505       11.53823  -6.682732      63.41374 
1 1 1 -5  23  12 f 88.41130 45.32903 0.000000       0.000000  1.608711       11.42116  ?              ?        
1 1 1 -5  23  13 f 69.54171 35.44013 -8.016149      6.085781  0.000000       0.000000  ?              ?        
1 1 1 -5  23  14 o 72.69372 36.66466 -3.494960      6.063041  4.336864       12.78471  -10.78098      56.31784 
1 1 1 -5  23  15 o 85.21348 42.10176 10.56032       6.716233  -4.035401      11.09931  15.71568       58.87011 
1 1 1 -5  23  16 o 66.17828 33.71777 -4.009718      6.734950  -2.394655      9.436043  -3.946564      51.03709 
1 1 1 -5  23  17 o 63.02188 32.20509 0.5450707      6.671927  -10.73722      8.827994  5.122803       48.50966 
1 1 1 -5  24  1  o 84.82220 40.17133 1.906413       5.729723  -1.668071      5.538094  10.59367       63.31743 
1 1 1 -5  24  2  o 74.65025 36.04743 -5.073613      4.828315  1.895771       5.273540  -21.88107      59.43353 
1 1 1 -5  24  3  o 113.2845 46.54352 4.447866       5.077995  5.772701       5.433294  -5.561729      70.52032 
1 1 1 -5  24  4  o 85.18977 39.73235 2.529361       4.703406  -2.011860      5.758675  10.52790       62.06863 
1 1 1 -5  24  5  o 101.4640 45.47765 8.286152       5.095102  -5.233306      7.328110  37.76886       67.93787 
1 1 1 -5  24  6  o 82.93360 38.66328 0.1810798      4.573573  1.769534       5.231944  -7.010315      60.38829 
1 1 1 -5  24  7  o 67.26477 33.10909 -4.876537      4.477892  -0.2498388     5.378639  -15.19286      54.71260 
1 1 1 -5  24  8  o 82.81112 38.60109 -1.103834      4.523403  4.444993       5.263149  -19.12377      60.37028 
1 1 1 -5  24  9  f 74.50455 35.89699 4.803958       4.747692  -6.691510      5.129716  28.96752       57.58271 
1 1 1 -5  24  10 o 66.12440 32.61994 -2.664801      4.374871  -2.271760      5.416180  -5.251114      52.52514 
1 1 1 -5  24  11 o 67.10709 33.19885 -3.282693      4.562005  -0.1990181     5.924438  -10.08681      52.95702 
1 1 1 -5  24  12 o 67.37173 33.83111 -1.196094      7.011286  -3.789107      5.648681  6.041786       52.58632 
1 1 1 -5  24  13 o 74.93959 36.45881 5.008580       4.830182  -4.071871      6.256191  15.16419       54.31896 
1 1 1 -5  24  14 o 73.76975 36.02742 2.299516       4.918868  0.9512277      6.125036  1.755791       53.05272 
1 1 1 -5  24  15 o 63.45425 31.46777 0.2948908      4.177270  -1.726132      5.475188  1.019936       47.80486 
1 1 1 -5  24  16 o 69.20457 35.96707 0.000000       0.000000  -0.8066991     13.25177  ?              ?        
1 1 1 -5  25  1  o 93.71045 43.10792 5.608316       5.764986  0.7863133E-01  5.753243  16.18501       65.32289 
1 1 1 -5  25  2  o 89.96602 42.00329 1.131911       5.938303  2.954264       5.636431  -4.533508      63.75526 
1 1 1 -5  25  3  o 104.8631 45.38425 7.056882       5.390691  2.855671       5.465795  15.40576       67.25554 
1 1 1 -5  25  4  o 88.70086 40.96084 3.732618       5.119641  0.9203854      5.437435  8.062286       61.90447 
1 1 1 -5  25  5  o 67.36741 33.29015 -1.896986      4.659451  -4.120031      5.662682  0.2322006      53.44597 
1 1 1 -5  25  6  o 62.02227 30.92443 -6.518673      4.549551  -0.6925604     5.070451  -14.00768      51.12720 
1 1 1 -5  25  7  o 83.07637 39.13590 4.065657       5.016860  -0.2227774     5.438554  10.73490       58.82928 
1 1 1 -5  25  8  o 77.51785 37.10352 1.192106       4.763168  1.035502       5.447371  -0.6602249     56.25677 
1 1 1 -5  25  9  o 89.02607 41.04542 3.373994       5.078385  4.756706       5.469001  -3.309731      59.70368 
1 1 1 -5  25  10 o 68.92561 33.71973 -0.5585226     4.479915  -0.3121856     5.230333  -2.324158      52.06184 
1 1 1 -5  25  11 o 67.55281 33.27137 -0.9320135     4.508121  -0.1242272     5.525403  -3.674423      51.21859 
1 1 1 -5  25  12 o 62.70822 31.91449 -6.252299      6.434070  -3.226458      7.233057  -4.185074      49.48474 
1 1 1 -5  25  13 o 71.31966 35.07402 1.735945       4.786442  1.880940       6.405087  -0.6709900     51.39218 
1 1 1 -5  25  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  26  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -5  26  5  f 88.85225 41.50054 4.185304       5.075005  2.866884       6.489032  3.631721       60.64988 
1 1 1 -5  26  6  o 67.54453 33.44980 -0.4119553     4.892901  -3.728562      5.669673  3.653297       52.31923 
1 1 1 -5  26  7  o 82.82514 39.02960 6.957830       5.025058  -1.587280      5.380947  21.09451       58.00979 
1 1 1 -5  26  8  o 58.70053 29.82156 -7.084342      4.870111  -4.702736      7.365615  -10.11384      48.61903 
1 1 1 -5  26  9  o 67.47009 34.33685 0.000000       0.000000  -4.049385      5.561351  ?              ?        
1 1 1 -5  26  10 o 71.58384 36.84882 0.000000       0.000000  -3.434173      8.487408  ?              ?        
1 1 1 -4  -25 1  o 122.7146 58.32647 2.616740       12.93485  9.123493       11.37847  -9.589333      85.70341 
1 1 1 -4  -24 1  o 108.9530 52.98768 1.349109       11.90162  -2.660718      10.94443  7.550804       82.17628 
1 1 1 -4  -24 2  o 104.0778 50.25568 2.845446       10.13070  -4.950679      9.475273  15.64719       79.43571 
1 1 1 -4  -24 3  o 117.4803 54.85980 -0.9417176     9.935800  7.636453       9.805781  -17.86235      83.76180 
1 1 1 -4  -23 1  o 105.8344 51.77713 6.013242       11.53509  -13.89552      11.16723  32.13703       84.17861 
1 1 1 -4  -23 2  o 157.3252 64.14598 8.244669       10.23394  11.98396       9.544022  -13.30847      96.47582 
1 1 1 -4  -23 3  o 112.2165 53.78863 1.857917       11.19843  -1.777592      10.33555  8.209396       83.97457 
1 1 1 -4  -23 4  o 140.4875 63.31325 6.793107       16.32175  8.716541       9.534341  -4.415375      94.23048 
1 1 1 -4  -23 5  o 128.8815 61.52029 0.000000       0.000000  4.839667       9.715007  ?              ?        
1 1 1 -4  -22 1  o 136.0946 63.88015 6.188722       17.36996  1.419328       11.63965  15.08110       99.69254 
1 1 1 -4  -22 2  o 123.1926 57.94297 6.894436       16.89322  -0.8154538     9.122637  26.39662       93.94650 
1 1 1 -4  -22 3  o 120.8772 57.01258 4.382426       16.10245  -0.2154008     9.019209  20.12428       91.37577 
1 1 1 -4  -22 4  o 133.6075 61.13294 -17.12871      15.67474  12.28240       9.369580  -44.36480      92.79540 
1 1 1 -4  -22 5  o 121.1476 58.52586 0.000000       0.000000  0.8328090E-01  9.412465  ?              ?        
1 1 1 -4  -22 6  o 103.1234 51.15946 -9.810320      13.99534  -6.155171      11.33757  2.597435       82.27651 
1 1 1 -4  -21 1  o 162.5659 72.91584 0.000000       0.000000  7.818011       10.77473  ?              ?        
1 1 1 -4  -21 2  o 142.2576 67.47335 -16.96334      16.20599  18.19695       15.80632  -57.16556      107.6592 
1 1 1 -4  -21 3  o 118.2618 58.48629 -9.335382      16.37686  -9.658401      15.31068  3.072800       94.36278 
1 1 1 -4  -21 4  o 113.0147 53.35912 -0.4490723     10.87686  -1.750948      8.981021  9.482246       85.94619 
1 1 1 -4  -21 5  o 136.4552 61.61890 1.402935       14.50279  5.828279       9.324124  -2.308899      95.40478 
1 1 1 -4  -21 6  o 113.8408 55.21489 5.931808       14.03196  -8.438386      10.86586  30.15465       89.70840 
1 1 1 -4  -21 7  o 123.6155 59.05812 -5.890683      14.59154  4.524420       11.42245  -10.98118      91.57300 
1 1 1 -4  -21 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -20 1  o 149.8957 61.63100 10.02526       10.09708  1.802466       8.519205  38.20430       99.33524 
1 1 1 -4  -20 2  o 146.0880 64.98528 3.272735       13.93062  4.318394       10.47736  5.181976       102.7932 
1 1 1 -4  -20 3  o 233.9510 76.16476 26.33380       14.95840  16.12069       11.19565  27.30438       123.8922 
1 1 1 -4  -20 4  f 120.0463 56.61927 -0.2314173     10.66618  -4.149662      11.31035  6.326340       91.64109 
1 1 1 -4  -20 5  o 153.6158 74.56818 0.000000       0.000000  3.655223       15.75451  ?              ?        
1 1 1 -4  -20 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -20 7  o 121.3948 60.69173 0.000000       0.000000  -12.16613      13.43511  ?              ?        
1 1 1 -4  -20 8  o 107.6280 51.94556 -6.644303      8.907017  3.125941       13.13664  -31.06075      86.59293 
1 1 1 -4  -20 9  o 114.0730 55.67273 -3.959818      9.113486  0.000000       0.000000  ?              ?        
1 1 1 -4  -19 1  o 187.3524 63.49847 16.22508       9.706074  5.034397       8.091745  65.88269       104.2991 
1 1 1 -4  -19 2  o 170.9663 64.35168 2.147402       9.867368  12.20611       8.785807  -45.30942      102.0811 
1 1 1 -4  -19 3  o 186.1125 68.15147 12.04276       10.43627  9.110103       10.12174  13.51982       108.7055 
1 1 1 -4  -19 4  o 149.8632 66.35796 8.490447       10.31541  -5.863894      15.76036  21.31551       104.0448 
1 1 1 -4  -19 5  o 148.4355 70.45958 -0.4596468     12.38716  0.000000       0.000000  ?              ?        
1 1 1 -4  -19 6  o 177.9561 79.63978 12.46324       12.77544  0.000000       0.000000  ?              ?        
1 1 1 -4  -19 7  f 174.3436 77.85787 0.000000       0.000000  13.36183       12.14143  ?              ?        
1 1 1 -4  -19 8  o 131.9674 60.87645 18.40651       12.66389  -9.984347      10.76473  73.85418       100.3350 
1 1 1 -4  -19 9  o 114.6694 53.93985 2.065220       12.22145  -1.914090      8.466199  20.10265       87.63900 
1 1 1 -4  -19 10 o 116.4680 52.92436 3.450632       8.260215  -0.4200929     8.418478  11.10602       83.87074 
1 1 1 -4  -18 1  o 230.5001 71.73553 16.67245       9.810861  10.25378       13.94730  29.95195       119.4280 
1 1 1 -4  -18 2  o 156.5106 67.27456 1.761024       10.37361  5.038933       13.93749  -25.98439      110.9020 
1 1 1 -4  -18 3  o 446.8030 58.60468 0.000000       0.000000  52.35042       11.20888  ?              ?        
1 1 1 -4  -18 4  o 406.2525 44.31505 48.11162       11.25391  34.35490       10.73792  78.77252       97.68841 
1 1 1 -4  -18 5  o 107.2604 51.78432 -5.374164      10.92023  -8.346978      9.914509  12.06320       87.52899 
1 1 1 -4  -18 6  o 135.8466 62.16862 -6.527809      10.53549  11.76049       13.57106  -58.41936      103.8816 
1 1 1 -4  -18 7  o 87.32391 43.08211 -17.12538      9.012256  -3.722965      7.901809  -19.35185      74.72883 
1 1 1 -4  -18 8  o 129.4023 59.65310 11.53161       11.49673  -8.496883      10.76181  53.03003       97.00166 
1 1 1 -4  -18 9  o 136.2478 61.41227 1.169032       11.20944  5.112670       10.72467  -9.274719      96.35774 
1 1 1 -4  -18 10 o 143.4767 64.00127 12.52100       11.18288  -1.941046      11.99678  35.53395       98.63201 
1 1 1 -4  -18 11 o 125.7344 61.10115 0.000000       0.000000  -2.420959      10.65554  ?              ?        
1 1 1 -4  -17 1  o 158.1126 64.85024 15.10964       10.01338  -8.978864      10.32011  103.4061       103.3463 
1 1 1 -4  -17 2  o 174.5567 66.05363 6.152183       9.759201  7.033354       9.854629  -4.777802      107.6854 
1 1 1 -4  -17 3  o 203.6230 66.95823 13.00210       10.11723  8.899835       9.484353  24.44443       110.8880 
1 1 1 -4  -17 4  o 194.4073 70.74960 12.30055       13.57185  8.828861       9.554324  23.24472       116.7058 
1 1 1 -4  -17 5  o 128.4391 59.57150 -1.075379      10.64554  -5.695786      12.17110  3.927582       98.88549 
1 1 1 -4  -17 6  o 250.4301 63.76598 18.28256       9.193446  17.77353       10.87942  10.90604       113.5112 
1 1 1 -4  -17 7  o 131.0487 55.75838 1.298257       8.306757  3.770651       7.611117  -7.008774      89.91096 
1 1 1 -4  -17 8  o 177.8729 61.72956 9.969581       8.536837  9.015532       8.118545  5.216980       99.80112 
1 1 1 -4  -17 9  o 174.7677 61.85375 16.98040       8.396644  2.288861       8.363160  77.31621       96.97855 
1 1 1 -4  -17 10 o 139.4160 63.10128 13.77336       12.12312  -5.667138      11.33864  51.52357       100.6089 
1 1 1 -4  -17 11 o 110.7290 53.76435 -16.55031      11.76908  5.286312       11.44343  -37.61799      88.95819 
1 1 1 -4  -17 12 o 101.0853 47.83601 -0.4256486     7.212986  -5.329144      8.988468  3.659126       78.28293 
1 1 1 -4  -16 1  o 135.4069 58.53865 7.072203       9.045246  -6.553032      8.975956  58.27350       97.27473 
1 1 1 -4  -16 2  o 128.4579 57.47866 0.3376536E-01  9.351751  -3.694542      9.463280  12.90999       96.70412 
1 1 1 -4  -16 3  o 124.0816 57.05704 -1.447497      10.06069  -6.227254      10.09089  15.05569       96.81049 
1 1 1 -4  -16 4  o 177.3177 72.27702 13.56870       15.28813  1.468019       10.86898  63.01419       121.1199 
1 1 1 -4  -16 5  o 443.1130 47.46417 42.98120       14.85555  50.09889       11.47600  -65.34015      109.1309 
1 1 1 -4  -16 6  o 130.1056 58.45600 -8.050038      8.927158  10.63158       11.10505  -78.55109      100.1970 
1 1 1 -4  -16 7  f 149.3593 62.67672 7.318468       9.211787  -0.5956771     10.52532  25.00319       100.5465 
1 1 1 -4  -16 8  o 351.8932 53.24805 33.04069       10.09085  33.16581       12.96118  32.40292       116.1504 
1 1 1 -4  -16 9  o 155.0528 65.99354 6.200006       10.42824  4.230343       11.97955  2.568893       104.4794 
1 1 1 -4  -16 10 o 115.6621 54.97085 -7.083505      11.58026  -1.163192      10.04060  -6.199448      90.15516 
1 1 1 -4  -16 11 o 144.9400 60.22672 9.463801       8.403224  0.6537645      9.547224  31.20024       94.18667 
1 1 1 -4  -16 12 o 223.1573 78.46528 0.000000       0.000000  21.27243       9.523569  ?              ?        
1 1 1 -4  -16 13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -15 1  o 375.4106 43.20082 39.74620       10.07885  26.20265       9.687177  84.49716       91.60457 
1 1 1 -4  -15 2  o 113.4227 53.01362 -12.78632      9.322143  1.854365       9.182767  -45.83106      91.80672 
1 1 1 -4  -15 3  o 269.9893 61.87362 15.59114       10.06382  20.34083       10.21840  -32.22963      113.2414 
1 1 1 -4  -15 4  o 295.5677 84.58192 8.969878       17.14274  35.21412       15.55882  -122.0960      138.0644 
1 1 1 -4  -15 5  o 148.3374 62.83957 1.860716       9.479692  1.898012       10.62913  -7.314117      103.6765 
1 1 1 -4  -15 6  o 367.1629 42.72299 27.40477       9.797581  35.95782       9.318421  -59.40396      92.04277 
1 1 1 -4  -15 7  o 376.0756 42.33005 33.01648       9.798765  34.73415       9.611476  -12.57767      90.87974 
1 1 1 -4  -15 8  o 118.9880 55.72195 -8.839040      9.257257  3.558158       11.80876  -49.75641      96.50898 
1 1 1 -4  -15 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -15 10 o 171.2571 64.28941 6.279368       8.577346  11.20481       10.10622  -25.27553      103.4162 
1 1 1 -4  -15 11 o 154.2234 59.80151 5.824638       8.473631  7.295931       7.897923  -5.945557      95.06338 
1 1 1 -4  -15 12 o 110.6920 51.37398 -3.174438      8.500618  0.6018261      8.398238  -10.52367      83.90538 
1 1 1 -4  -15 13 o 140.6304 57.49220 12.32612       8.236016  -0.4438863     7.701367  56.52180       90.94898 
1 1 1 -4  -15 14 o 154.9121 55.97494 -0.3356089     6.910524  15.42063       6.888649  -89.11680      86.22080 
1 1 1 -4  -14 1  o 432.3115 33.88047 39.58944       8.801271  45.00282       9.241322  -28.09521      69.51791 
1 1 1 -4  -14 2  o 305.1517 48.05571 32.30096       8.895530  11.95990       8.699792  145.0133       94.34514 
1 1 1 -4  -14 3  o 258.7046 57.92727 23.66983       9.288477  9.744307       8.855729  98.68806       103.2903 
1 1 1 -4  -14 4  o 462.8253 35.58247 48.48309       9.584811  48.57049       10.79802  3.397003       73.77180 
1 1 1 -4  -14 5  x ?        ?        -23.96860      8.615026  -33.62642      9.381183  4.995773       65.52285 
1 1 1 -4  -14 6  o 188.9854 62.05870 11.78016       8.470063  5.519968       8.345239  39.92471       102.5857 
1 1 1 -4  -14 7  o 150.7387 58.92169 -3.799630      7.662673  13.63694       8.345965  -98.86863      94.19910 
1 1 1 -4  -14 8  o 173.4507 68.58421 0.000000       0.000000  6.486760       7.724360  ?              ?        
1 1 1 -4  -14 9  o 242.0861 57.18745 19.98379       6.912807  2.426342       11.88277  104.4776       96.54701 
1 1 1 -4  -14 10 o 138.0125 53.67643 8.873502       6.479942  -0.7009787     6.722406  52.89462       85.64192 
1 1 1 -4  -14 11 o 118.6718 50.50735 1.226015       6.378917  2.213993       6.660512  -6.495987      82.29427 
1 1 1 -4  -14 12 o 156.2089 54.63952 7.866760       6.484525  5.813467       6.566875  12.86739       88.59323 
1 1 1 -4  -14 13 o 135.6827 51.16996 2.075315       5.792172  7.755266       5.958725  -35.19152      82.01012 
1 1 1 -4  -14 14 o 127.8213 50.80181 6.101605       5.919436  2.035565       6.131233  21.33588       80.83918 
1 1 1 -4  -14 15 o 114.7015 49.24524 5.077249       6.521762  -0.8676289E-01 6.084852  25.10137       79.13409 
1 1 1 -4  -13 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -13 2  o 323.0762 40.71695 22.92814       8.019418  24.85242       7.939710  -14.35693      84.60197 
1 1 1 -4  -13 3  o 213.4823 58.02905 12.59305       7.720014  9.322078       8.059767  23.31503       100.7348 
1 1 1 -4  -13 4  o 160.8168 58.13277 7.603705       6.788261  2.041965       8.332297  24.06543       95.07308 
1 1 1 -4  -13 5  o 322.8823 38.30014 20.57833       7.509329  27.20728       7.534552  -48.71896      80.30353 
1 1 1 -4  -13 6  o 245.2959 48.53223 12.36876       7.014574  16.29068       7.236975  -32.37671      92.55891 
1 1 1 -4  -13 7  o 535.5617 34.31682 65.08539       8.019117  0.000000       0.000000  ?              ?        
1 1 1 -4  -13 8  o 174.4695 65.16715 0.000000       0.000000  6.667453       6.701890  ?              ?        
1 1 1 -4  -13 9  o 186.5894 49.98607 10.13183       5.532175  6.898352       6.356950  26.16077       86.86757 
1 1 1 -4  -13 10 o 334.6367 30.65584 30.25394       6.160994  21.25481       6.433819  66.83200       66.46066 
1 1 1 -4  -13 11 o 117.9369 48.25784 -2.403542      5.370127  7.823007       5.887895  -63.65683      78.51757 
1 1 1 -4  -13 12 o 159.0623 47.79866 6.686837       4.987998  6.678277       5.210364  -0.1144562     80.89873 
1 1 1 -4  -13 13 o 120.7082 46.95722 1.067744       4.997634  5.486619       5.104676  -29.25475      75.81214 
1 1 1 -4  -13 14 o 153.3029 48.47085 6.049469       5.122705  7.039648       5.199530  -7.838074      80.63934 
1 1 1 -4  -13 15 f 142.1065 49.39757 7.117793       5.388034  4.461974       5.271348  18.73328       80.07333 
1 1 1 -4  -13 16 o 83.72793 39.21066 1.264864       5.219935  -4.857795      4.992426  25.78392       66.19838 
1 1 1 -4  -12 1  o 868.8186 20.98078 176.3113       11.57041  158.4109       11.06176  46.50146       42.23152 
1 1 1 -4  -12 2  o 640.9291 22.69604 99.00529       9.002896  82.92256       9.015691  57.72296       45.89470 
1 1 1 -4  -12 3  o 201.9679 47.81931 6.984533       5.075532  15.14756       7.316537  -73.77696      87.33859 
1 1 1 -4  -12 4  o 168.9487 52.33380 9.842394       5.326595  0.7359839      7.172913  55.82854       85.03767 
1 1 1 -4  -12 5  o 405.8907 37.19603 37.48534       6.548720  0.000000       0.000000  ?              ?        
1 1 1 -4  -12 6  o 132.1464 51.41679 1.398434       6.123597  4.086162       5.990674  -15.92439      84.60486 
1 1 1 -4  -12 7  o 504.8511 23.54919 58.48898       7.501834  54.93842       7.215652  15.67581       47.56370 
1 1 1 -4  -12 8  o 330.5641 32.17686 28.41711       6.770182  21.69111       6.286024  46.31183       66.84471 
1 1 1 -4  -12 9  o 164.3366 50.99300 5.928820       5.862630  7.010558       5.622947  -7.713593      85.87831 
1 1 1 -4  -12 10 o 122.4418 48.57300 -2.500906      5.366046  7.860409       5.635659  -68.70999      78.34535 
1 1 1 -4  -12 11 o 224.2235 37.99840 12.19720       5.067043  12.03300       5.126840  1.944260       76.47793 
1 1 1 -4  -12 12 o 150.6245 48.24631 9.198331       5.105167  2.534802       5.093561  53.61909       78.60500 
1 1 1 -4  -12 13 o 108.0027 44.71041 0.9819162      4.867966  2.339714       4.913523  -8.517548      73.00947 
1 1 1 -4  -12 14 o 211.2147 41.20030 6.838235       5.114264  16.57158       5.299001  -89.90778      76.55585 
1 1 1 -4  -12 15 o 134.8858 47.36497 4.956654       4.850830  4.707378       4.964198  1.542267       77.18963 
1 1 1 -4  -12 16 o 151.3781 48.04614 6.304667       5.078595  6.821782       5.054239  -4.077698      79.67151 
1 1 1 -4  -11 1  f 757.9603 28.71233 136.1502       13.50672  122.1809       13.44452  42.51807       58.35820 
1 1 1 -4  -11 2  o 767.7180 20.33982 132.7979       9.956618  128.4187       9.421397  12.26910       40.94339 
1 1 1 -4  -11 3  o 1352.519 33.52492 0.000000       0.000000  408.8490       19.88898  ?              ?        
1 1 1 -4  -11 4  o 874.4505 28.71385 0.000000       0.000000  170.0790       10.99863  ?              ?        
1 1 1 -4  -11 5  f 424.5827 31.01214 42.58755       7.054780  36.12844       9.851473  43.42111       70.19453 
1 1 1 -4  -11 6  o 265.0985 46.68383 13.66315       6.388051  22.30465       9.109598  -62.38591      93.44315 
1 1 1 -4  -11 7  o 264.8735 44.12919 20.68848       6.323255  9.630733       7.941558  90.91110       87.72366 
1 1 1 -4  -11 8  o 170.4813 56.20791 2.708259       6.375019  12.08553       7.564318  -72.46817      92.82919 
1 1 1 -4  -11 9  o 393.7177 32.03257 35.22121       7.185366  34.90864       8.488020  6.418213       67.13818 
1 1 1 -4  -11 10 o 177.9987 50.37223 6.793344       5.387198  9.096961       6.353482  -21.54359      87.24253 
1 1 1 -4  -11 11 o 392.6783 27.96367 32.43012       6.070134  39.52563       7.776533  -34.08493      58.29087 
1 1 1 -4  -11 12 o 108.9303 46.27150 1.160098       5.124998  0.6219443      5.845650  -3.241745      76.40267 
1 1 1 -4  -11 13 o 264.8387 37.46444 16.08921       5.459209  18.55345       6.694321  -11.08968      79.82575 
1 1 1 -4  -11 14 o 123.5824 48.39142 5.067230       5.098428  0.9463025      5.743064  21.66749       77.92491 
1 1 1 -4  -11 15 o 199.0752 52.15271 7.223092       6.486232  15.52099       6.546609  -63.37743      89.49765 
1 1 1 -4  -11 16 o 113.2354 47.43940 2.320221       5.684187  2.146640       5.523000  1.791855       76.50439 
1 1 1 -4  -11 17 o 206.7357 45.76159 9.713924       5.607810  14.24029       5.825041  -38.05119      85.17197 
1 1 1 -4  -10 1  o 105.6045 49.67273 -5.889548      8.819194  -4.382683      7.938694  2.811935       85.34948 
1 1 1 -4  -10 2  o 281.5373 56.90577 14.36620       9.461243  25.30207       9.736703  -76.38426      107.0193 
1 1 1 -4  -10 3  o 684.9343 28.44620 97.77747       11.35056  114.3005       12.92131  -51.85297      57.70120 
1 1 1 -4  -10 4  o 876.5932 27.42098 170.8754       10.53047  0.000000       0.000000  ?              ?        
1 1 1 -4  -10 5  o 290.3601 45.37549 0.000000       0.000000  19.48658       5.590090  ?              ?        
1 1 1 -4  -10 6  o 240.5894 36.27737 8.892307       5.184834  17.80951       5.309308  -83.02649      72.86665 
1 1 1 -4  -10 7  o 182.4702 46.60589 6.600702       5.491397  9.038550       5.115596  -21.46463      82.22726 
1 1 1 -4  -10 8  o 137.8861 48.50523 7.402629       5.502350  1.274629       4.853025  52.77805       79.71455 
1 1 1 -4  -10 9  o 199.5804 41.74337 12.49702       5.090550  6.413216       4.917112  59.59935       76.75150 
1 1 1 -4  -10 10 o 391.1117 25.20842 34.90961       6.141623  33.59288       6.026729  7.513885       51.27691 
1 1 1 -4  -10 11 o 609.0188 20.72288 86.63168       7.922004  78.82963       7.716893  28.99146       41.85438 
1 1 1 -4  -10 12 o 616.9489 20.45673 82.33147       7.643192  88.22398       8.005570  -20.87634      41.39470 
1 1 1 -4  -10 13 o 306.0163 30.10606 21.61685       5.469855  22.05956       5.829426  -0.8676758     63.55511 
1 1 1 -4  -10 14 o 291.6311 34.01164 20.01167       5.896370  20.68264       6.189279  -2.953979      72.77048 
1 1 1 -4  -10 15 o 97.17987 43.55915 2.806946       5.387746  -3.733613      5.469324  29.50112       72.25800 
1 1 1 -4  -10 16 o 118.8417 49.48907 6.820173       5.711572  -2.613276      6.437482  43.32221       78.69510 
1 1 1 -4  -10 17 o 108.3226 46.83755 -1.139235      5.278245  5.583601       6.431668  -38.17256      77.06667 
1 1 1 -4  -10 18 o 114.5242 46.17055 0.1203493      4.706771  6.906094       5.475850  -43.78141      74.77673 
1 1 1 -4  -9  1  o 373.2938 26.54039 30.51772       6.206935  32.23644       6.009186  -11.47574      54.41238 
1 1 1 -4  -9  2  o 146.7088 58.96502 5.668457       8.614298  1.613871       7.850827  25.00082       96.78956 
1 1 1 -4  -9  3  o 156.7835 60.82977 1.408844       8.820617  7.425162       8.136299  -27.26601      98.91402 
1 1 1 -4  -9  4  o 320.9874 37.40728 17.29106       6.543076  34.15049       8.427248  -113.7224      77.67325 
1 1 1 -4  -9  5  o 377.3158 29.50477 34.23297       7.116884  29.84566       6.612699  25.90402       60.25834 
1 1 1 -4  -9  6  o 609.8657 19.10798 82.01106       7.234753  82.19954       7.205072  -0.7413940     38.39211 
1 1 1 -4  -9  7  o 170.5937 41.57145 6.772090       4.345240  6.870430       4.371537  -1.088272      74.62547 
1 1 1 -4  -9  8  o 134.4415 44.98888 6.334068       4.394018  1.506572       4.431417  41.97863       73.68345 
1 1 1 -4  -9  9  o 256.4319 35.24413 15.81898       5.605690  14.33857       5.321663  12.54849       72.50278 
1 1 1 -4  -9  10 o 118.7997 53.84062 0.000000       0.000000  -2.737715      6.052559  ?              ?        
1 1 1 -4  -9  11 o 613.0457 20.02002 83.84905       7.591299  82.99789       7.614962  3.238647       40.34532 
1 1 1 -4  -9  12 o 546.2168 21.37225 70.18449       7.215963  63.04465       7.239243  30.25488       43.31256 
1 1 1 -4  -9  13 o 121.0229 47.69829 1.491485       5.023282  3.779917       5.552727  -18.93973      78.37306 
1 1 1 -4  -9  14 o 410.5652 26.32061 33.63419       6.184836  45.97182       7.285764  -63.27615      54.39823 
1 1 1 -4  -9  15 o 195.3815 45.82106 15.06273       5.380692  4.512618       5.536080  92.59004       78.45264 
1 1 1 -4  -9  16 o 171.8890 46.73423 3.183983       5.039907  13.16773       5.189653  -85.53506      76.81800 
1 1 1 -4  -9  17 o 139.4398 46.98752 5.215754       4.787066  5.349663       4.838840  -1.134506      77.13377 
1 1 1 -4  -9  18 f 196.7533 44.58812 15.58958       5.295030  5.735800       5.336627  87.24590       78.06849 
1 1 1 -4  -9  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -8  1  o 483.5738 19.11316 51.14283       5.865994  52.42240       5.588299  -6.575623      38.58321 
1 1 1 -4  -8  2  o 309.6761 28.20128 24.72548       5.570757  19.08101       5.167988  41.40350       58.33844 
1 1 1 -4  -8  3  o 204.5825 41.22335 12.07568       5.152610  8.090903       4.954293  38.88481       77.93984 
1 1 1 -4  -8  4  o 517.3495 29.72184 63.49479       9.987915  58.16401       9.074224  20.73441       60.82897 
1 1 1 -4  -8  5  o 592.5117 27.15452 76.69662       9.557948  80.65644       10.40384  -13.42487      55.12542 
1 1 1 -4  -8  6  o 653.1662 32.47545 0.000000       0.000000  95.46727       9.275045  ?              ?        
1 1 1 -4  -8  7  o 641.1727 22.86499 90.00504       9.097833  91.97357       9.061470  -7.098755      46.02693 
1 1 1 -4  -8  8  o 769.9167 25.41422 0.000000       0.000000  131.5898       8.570897  ?              ?        
1 1 1 -4  -8  9  o 283.2869 27.66504 16.28957       4.947464  19.60290       4.664353  -28.61310      57.82499 
1 1 1 -4  -8  10 o 385.0105 34.06369 33.49762       5.693327  0.000000       0.000000  ?              ?        
1 1 1 -4  -8  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -8  12 o 253.6010 36.90181 16.47942       5.373832  13.06968       5.938367  33.27113       76.38272 
1 1 1 -4  -8  13 o 233.4722 40.35071 12.41017       5.102121  13.99431       6.372549  -9.478851      81.44428 
1 1 1 -4  -8  14 o 454.9445 24.84315 47.31138       6.299097  46.47607       7.956537  12.33435       52.65686 
1 1 1 -4  -8  15 o 215.1461 39.55993 9.422426       4.559115  14.93496       5.848784  -45.35965      78.55517 
1 1 1 -4  -8  16 o 118.6153 45.13555 4.916623       4.532946  1.159658       4.658267  25.96931       73.01817 
1 1 1 -4  -8  17 o 215.4096 43.16660 15.48585       5.586749  9.137943       5.547326  57.78935       82.05530 
1 1 1 -4  -8  18 o 100.1101 42.39724 -3.129196      4.249362  7.356906       4.930880  -68.71590      69.76358 
1 1 1 -4  -8  19 o 140.8843 45.45812 9.700302       4.578065  1.781568       4.466513  64.85875       72.65295 
1 1 1 -4  -7  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -7  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -7  3  o 393.8587 27.05684 34.87633       4.645926  0.000000       0.000000  ?              ?        
1 1 1 -4  -7  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -7  5  o 248.2634 27.82613 11.82560       3.959524  16.86312       4.519021  -45.33751      57.76970 
1 1 1 -4  -7  6  o 319.6537 37.89832 16.39606       6.807009  33.38887       8.097259  -118.7426      79.11219 
1 1 1 -4  -7  7  o 488.2519 26.88469 47.93320       7.843943  58.94412       8.407803  -50.99722      54.45618 
1 1 1 -4  -7  8  o 79.79078 37.01760 -4.977955      3.948593  1.236936       4.993106  -46.52426      66.52611 
1 1 1 -4  -7  9  o 387.5956 39.47070 0.000000       0.000000  34.19250       6.616972  ?              ?        
1 1 1 -4  -7  10 o 206.4253 44.62341 10.62465       4.469012  8.275285       8.185409  14.34160       87.44549 
1 1 1 -4  -7  11 o 149.0640 53.85600 4.475470       4.516195  0.000000       0.000000  ?              ?        
1 1 1 -4  -7  12 o 769.6683 18.60213 127.4056       8.614797  135.1322       9.174440  -22.11896      37.46384 
1 1 1 -4  -7  13 o 487.8553 20.03559 48.55394       5.680858  58.78283       6.502934  -46.06259      40.50261 
1 1 1 -4  -7  14 o 298.5049 26.30469 22.16355       4.719372  18.25547       4.929553  32.23172       55.22437 
1 1 1 -4  -7  15 o 343.3864 25.15130 27.59394       5.310315  26.36758       5.330359  8.555328       51.96666 
1 1 1 -4  -7  16 o 176.6307 40.73847 10.17482       4.245850  5.328836       4.511354  49.53406       72.99218 
1 1 1 -4  -7  17 o 98.47747 40.99980 5.120935       4.009124  -3.126279      4.297142  50.76836       65.85561 
1 1 1 -4  -7  18 o 103.9001 43.45059 1.869527       4.468420  1.458963       4.940506  -0.8308411     70.50823 
1 1 1 -4  -7  19 o 85.20358 38.96629 -2.188287      4.338087  0.9848337      4.948788  -19.60815      65.16532 
1 1 1 -4  -7  20 o 98.23901 42.05237 3.566411       4.315980  -1.415982      4.858038  23.33289       67.58672 
1 1 1 -4  -6  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  -6  2  o 210.9196 25.89728 12.48386       3.455002  7.883754       3.194870  50.21054       53.50664 
1 1 1 -4  -6  3  o 684.5192 21.44430 103.8695       6.430765  0.000000       0.000000  ?              ?        
1 1 1 -4  -6  4  o 219.2866 28.20266 13.28105       3.702675  8.495555       3.794261  51.56465       58.96964 
1 1 1 -4  -6  5  o 469.5730 17.36901 48.74393       4.962076  49.10027       5.144096  -1.350769      35.02479 
1 1 1 -4  -6  6  o 365.5448 19.90044 30.07924       4.363638  29.38316       4.640099  5.107788       40.40279 
1 1 1 -4  -6  7  o 487.3890 17.14134 51.48603       4.908787  53.73034       5.488397  -9.735474      34.61308 
1 1 1 -4  -6  8  o 335.7836 33.58218 28.91450       6.884909  21.85644       6.917613  49.90756       70.21281 
1 1 1 -4  -6  9  o 382.7604 46.38620 0.000000       0.000000  33.65995       7.629114  ?              ?        
1 1 1 -4  -6  10 o 278.0623 29.05026 18.02735       4.724064  16.67731       5.181540  12.96390       60.60569 
1 1 1 -4  -6  11 o 276.4348 28.52923 17.05046       4.727974  17.40806       4.921755  -2.414948      58.96582 
1 1 1 -4  -6  12 o 781.7675 18.07642 142.5680       8.962113  127.9484       8.582408  42.31830       36.34730 
1 1 1 -4  -6  13 o 286.6635 25.82199 17.04291       4.394485  20.17391       4.706747  -24.56985      53.13358 
1 1 1 -4  -6  14 o 330.1446 23.33176 18.60513       4.463387  32.21738       5.093745  -93.21719      48.40954 
1 1 1 -4  -6  15 o 469.1716 19.13684 49.54935       5.474150  48.94598       5.645483  3.570984       38.79079 
1 1 1 -4  -6  16 o 248.6938 29.06873 17.69588       4.355172  11.25059       4.446115  63.15622       62.68232 
1 1 1 -4  -6  17 o 418.7863 21.30160 36.89548       5.226942  43.78833       5.858034  -34.53024      43.65098 
1 1 1 -4  -6  18 o 292.1552 27.49703 19.69996       4.753930  20.92377       5.115275  -6.355499      58.65768 
1 1 1 -4  -6  19 o 77.37711 35.61625 -0.2476121     3.841959  -2.277736      4.045429  7.754684       59.74035 
1 1 1 -4  -6  20 o 151.7223 45.80482 6.771793       4.429452  6.522634       4.957991  3.212357       76.99998 
1 1 1 -4  -5  1  f 287.3493 14.51210 18.25876       2.572218  18.13672       2.584603  0.9897766      29.19928 
1 1 1 -4  -5  2  o 286.5406 14.80221 19.27612       2.708632  17.07408       2.543421  17.43982       29.79594 
1 1 1 -4  -5  3  o 228.5253 19.56260 10.32811       2.775544  12.83267       2.718397  -25.80513      40.32439 
1 1 1 -4  -5  4  o 531.5354 19.96174 62.59709       4.645790  0.000000       0.000000  ?              ?        
1 1 1 -4  -5  5  o 178.5548 29.24821 9.035434       3.128451  5.650861       3.126561  41.91147       58.04268 
1 1 1 -4  -5  6  o 162.0296 35.19662 8.741221       3.517576  3.906614       3.360198  56.63516       63.53337 
1 1 1 -4  -5  7  o 442.4798 15.39401 42.29979       3.964336  44.56540       4.529785  -10.77158      31.14732 
1 1 1 -4  -5  8  o 756.4595 21.46773 126.6850       7.115962  0.000000       0.000000  ?              ?        
1 1 1 -4  -5  9  o 249.8528 23.03165 10.13851       3.517886  17.74465       3.541232  -71.94394      49.31173 
1 1 1 -4  -5  10 o 182.4642 48.18331 7.469523       5.265258  8.348644       5.847324  -9.606995      84.76043 
1 1 1 -4  -5  11 o 950.7372 21.17130 193.6690       10.50292  215.7656       16.30080  -43.26611      45.99491 
1 1 1 -4  -5  12 o 294.5196 28.13251 20.33785       4.996931  18.60242       5.161743  14.42068       58.14380 
1 1 1 -4  -5  13 o 122.0293 46.58356 4.086473       4.830162  0.8940412      4.980874  21.74886       76.47379 
1 1 1 -4  -5  14 o 95.71062 39.59569 0.4475131      3.745592  1.128054       3.925070  -7.042686      65.74653 
1 1 1 -4  -5  15 o 367.9289 21.02390 30.33898       4.599851  30.41527       4.979486  0.9067383      42.90474 
1 1 1 -4  -5  16 o 452.2295 19.60795 46.56769       5.411136  45.34827       5.567181  6.910339       39.86669 
1 1 1 -4  -5  17 o 98.15627 43.81788 2.302633       9.148899  -0.9843176     4.233145  48.87585       80.55266 
1 1 1 -4  -5  18 o 101.0714 45.05198 0.000000       0.000000  0.3038227E-01  4.045507  ?              ?        
1 1 1 -4  -5  19 o 145.5198 43.84082 4.842409       4.270788  6.848475       4.294593  -18.07878      73.73597 
1 1 1 -4  -5  20 o 132.2028 45.53167 6.595233       4.265314  2.876706       4.833737  27.38537       73.21049 
1 1 1 -4  -5  21 o 82.82135 37.91566 -4.453208      4.362147  3.179521       4.403767  -35.95187      63.25799 
1 1 1 -4  -4  1  o 364.0194 11.75838 28.65381       2.625469  29.63195       2.678657  -6.109619      23.57783 
1 1 1 -4  -4  2  o 388.9631 12.19037 33.86003       2.939796  32.68004       2.935577  6.936554       24.44785 
1 1 1 -4  -4  3  o 818.1453 14.45733 155.3147       7.564692  140.0104       7.129212  42.64630       28.97226 
1 1 1 -4  -4  4  o 802.2896 14.60108 139.4865       7.196278  143.9650       7.339060  -12.63513      29.29013 
1 1 1 -4  -4  5  o 445.6494 13.60407 44.46366       3.825866  43.16611       3.690549  6.492920       27.32141 
1 1 1 -4  -4  6  o 168.0786 27.56997 5.495687       2.810141  7.452915       2.741034  -26.03447      54.96441 
1 1 1 -4  -4  7  o 493.5808 14.12095 53.84330       4.337033  53.81994       4.301360  0.4684448E-01  28.38020 
1 1 1 -4  -4  8  o 121.0569 34.33591 2.722665       2.548705  4.250587       2.874319  -21.15255      59.13121 
1 1 1 -4  -4  9  o 796.0663 21.69501 140.1915       7.568420  0.000000       0.000000  ?              ?        
1 1 1 -4  -4  10 o 313.4213 16.84518 19.71668       3.171860  23.93598       3.362556  -30.66785      33.98514 
1 1 1 -4  -4  11 o 151.5040 41.03477 3.464791       3.956415  7.268636       3.945539  -39.61948      70.33081 
1 1 1 -4  -4  12 o 679.4710 21.74271 102.6523       9.131023  102.2044       9.174197  1.589905       43.80200 
1 1 1 -4  -4  13 o 505.2907 16.58507 66.31178       5.317200  47.33318       5.074160  85.76215       33.59824 
1 1 1 -4  -4  14 o 233.4462 32.96462 11.26313       4.405959  14.13182       4.918074  -26.48763      67.69550 
1 1 1 -4  -4  15 o 370.9909 21.47440 32.62225       5.685837  29.75471       4.399618  13.54633       44.72752 
1 1 1 -4  -4  16 o 145.0188 39.83449 4.213887       3.664807  6.149952       3.721545  -20.76701      68.91207 
1 1 1 -4  -4  17 o 214.7128 32.48003 13.26644       4.231411  8.999013       4.151741  44.98157       66.81491 
1 1 1 -4  -4  18 o 93.30499 39.38026 -0.3293189E-01 3.880869  1.774080       3.930441  -12.29095      64.69749 
1 1 1 -4  -4  19 o 198.0915 36.17206 15.85312       4.408736  4.756569       4.163942  110.8365       66.52102 
1 1 1 -4  -4  20 o 183.6081 39.60249 10.89337       4.440838  7.143379       4.317441  37.53011       74.00608 
1 1 1 -4  -4  21 o 128.3532 45.06070 5.154944       4.192505  4.131158       4.738617  6.995819       72.88563 
1 1 1 -4  -3  1  o 829.4150 13.93724 151.1705       7.163907  151.1630       7.177629  0.2673340E-01  27.90160 
1 1 1 -4  -3  2  o 1364.937 21.13446 408.9317       17.84508  412.0803       17.94436  -5.200684      42.36756 
1 1 1 -4  -3  3  o 204.6175 16.91787 9.435562       2.113040  9.110740       2.143662  3.760300       34.41427 
1 1 1 -4  -3  4  o 112.3262 29.71339 1.586820       2.039402  4.391726       2.170686  -41.39735      50.63753 
1 1 1 -4  -3  5  o 280.4214 15.84875 16.88398       2.713985  17.90943       2.778528  -8.317719      31.97168 
1 1 1 -4  -3  6  o 314.8492 15.88152 21.81810       3.044476  22.08475       3.141323  -1.759644      32.04014 
1 1 1 -4  -3  7  o 280.1177 18.29634 17.86876       3.119150  17.06615       3.206298  6.900635       37.18191 
1 1 1 -4  -3  8  o 614.4687 16.64273 86.89985       7.893366  82.01131       5.444054  13.46552       35.55774 
1 1 1 -4  -3  9  o 274.8866 17.20750 15.98030       2.840959  17.58075       3.004866  -13.12598      34.78754 
1 1 1 -4  -3  10 o 192.3628 34.10299 8.497792       2.772154  0.000000       0.000000  ?              ?        
1 1 1 -4  -3  11 o 101.4441 35.30445 2.344208       2.738363  1.823138       2.706524  6.058052       58.60993 
1 1 1 -4  -3  12 o 460.2911 14.91662 48.71788       4.328266  44.90121       4.182460  18.80222       29.96529 
1 1 1 -4  -3  13 o 93.51868 40.94909 -1.593237      4.530445  0.4963520      4.527205  -12.23298      69.01096 
1 1 1 -4  -3  14 o 453.8014 24.31201 43.09443       6.702186  49.02335       6.941950  -29.65054      49.29035 
1 1 1 -4  -3  15 o 573.0507 21.63705 71.60201       7.562450  75.08842       7.798215  -13.40283      43.75024 
1 1 1 -4  -3  16 o 380.6929 23.77837 29.31122       5.361360  36.87565       5.844356  -44.17703      48.65292 
1 1 1 -4  -3  17 o 241.1965 25.13870 13.96091       3.656029  12.82758       3.758273  11.98611       52.81537 
1 1 1 -4  -3  18 o 96.22316 38.16617 -0.2098658     3.260582  3.682169       3.542262  -34.05692      62.43335 
1 1 1 -4  -3  19 o 82.24592 35.87123 -1.159212      3.239002  1.864626       3.697345  -24.55220      59.92527 
1 1 1 -4  -3  20 o 85.74567 37.14535 0.7892746      3.561249  0.1874981      3.730522  2.124268       60.89887 
1 1 1 -4  -3  21 o 76.57769 34.83322 0.4358972      3.641760  -1.582406      3.605455  11.00249       57.86282 
1 1 1 -4  -3  22 o 85.98232 40.57418 0.000000       0.000000  -1.823511      3.994403  ?              ?        
1 1 1 -4  -2  1  o 707.9047 12.36166 107.5581       5.340657  112.7621       5.520512  -16.69525      24.74337 
1 1 1 -4  -2  2  o 726.3886 12.81567 117.2187       5.806568  114.6310       5.743274  8.330200       25.66672 
1 1 1 -4  -2  3  o 960.2835 15.72494 200.9968       9.295587  204.6344       9.440270  -8.566895      31.49309 
1 1 1 -4  -2  4  o 806.8988 14.08944 143.1438       7.067098  143.1677       7.037539  -0.8483887E-01 28.21492 
1 1 1 -4  -2  5  o 365.7068 12.85896 29.46362       2.896530  29.43096       2.928913  0.2369385      25.81267 
1 1 1 -4  -2  6  o 217.4020 17.94055 11.20647       2.393704  9.817616       2.402175  14.94112       36.67683 
1 1 1 -4  -2  7  o 336.4930 14.26286 25.32716       2.936815  24.73988       3.005135  4.142609       28.73475 
1 1 1 -4  -2  8  o 203.2145 21.29606 10.56672       2.602306  7.936242       2.689270  31.08716       44.72671 
1 1 1 -4  -2  9  o 202.5286 29.45502 9.370493       2.540021  0.000000       0.000000  ?              ?        
1 1 1 -4  -2  10 o 735.0291 14.50804 114.7994       6.449914  123.5002       6.793443  -26.73633      29.11313 
1 1 1 -4  -2  11 o 148.5154 34.83656 5.828653       2.696015  3.609890       3.967675  20.33453       63.77361 
1 1 1 -4  -2  12 o 257.8905 19.15596 13.57694       2.957760  16.12114       3.135161  -22.48085      38.92790 
1 1 1 -4  -2  13 o 507.1539 14.64079 59.32631       4.609503  54.17100       4.592827  23.26523       29.42688 
1 1 1 -4  -2  14 o 322.6586 27.28950 22.74186       5.122283  24.16711       5.754470  -8.464020      56.17426 
1 1 1 -4  -2  15 o 413.3452 23.57793 39.07715       5.906402  37.33865       6.141395  10.44733       47.99111 
1 1 1 -4  -2  16 o 256.2336 24.63925 15.00539       3.367961  14.70506       4.687533  9.489838       54.70165 
1 1 1 -4  -2  17 o 270.0692 28.06124 19.35747       4.689499  14.53262       4.577783  42.14296       59.41897 
1 1 1 -4  -2  18 o 346.3888 37.05758 29.49348       5.543053  0.000000       0.000000  ?              ?        
1 1 1 -4  -2  19 o 243.7574 23.22857 12.52612       3.417248  15.15312       3.525116  -24.93907      48.94358 
1 1 1 -4  -2  20 o 194.3503 30.75804 11.02638       3.557786  7.647274       3.612619  39.93701       63.17472 
1 1 1 -4  -2  21 o 206.6272 30.69204 12.71724       3.787653  8.581554       3.842184  47.09143       64.30624 
1 1 1 -4  -2  22 o 116.8301 41.56946 -0.1769857     3.629012  8.596431       3.972972  -73.18075      65.10215 
1 1 1 -4  -1  1  o 723.6241 12.40074 112.8429       5.496839  117.3086       5.638741  -14.02020      24.82116 
1 1 1 -4  -1  2  o 880.0101 14.43759 169.0091       7.847751  171.4097       7.915314  -6.193787      28.90557 
1 1 1 -4  -1  3  o 1445.437 22.16930 468.3796       20.13055  453.1481       19.63427  23.70935       44.45477 
1 1 1 -4  -1  4  o 861.5148 14.52560 163.6005       7.798313  162.7842       7.727585  2.123291       29.08853 
1 1 1 -4  -1  5  o 462.1822 11.83935 47.12939       3.387633  46.82301       3.395505  1.521271       23.73150 
1 1 1 -4  -1  6  o 230.4359 16.52515 10.74918       2.328010  12.82419       2.365418  -20.80641      33.60962 
1 1 1 -4  -1  7  o 355.4513 13.53394 29.40314       3.004248  26.44505       2.953789  19.01059       27.23323 
1 1 1 -4  -1  8  o 593.3513 13.35728 76.88629       4.854944  78.57732       4.980228  -6.316711      26.85244 
1 1 1 -4  -1  9  o 324.6696 15.30251 21.43186       2.973114  25.52003       3.184218  -28.49323      30.85261 
1 1 1 -4  -1  10 o 640.9772 13.88004 86.84306       5.395575  94.41327       5.651005  -26.73859      27.86031 
1 1 1 -4  -1  11 o 409.3696 19.65981 37.07336       3.519855  0.000000       0.000000  ?              ?        
1 1 1 -4  -1  12 o 238.4242 19.91663 13.68627       2.884402  11.55814       2.954404  21.06055       40.91611 
1 1 1 -4  -1  13 o 622.7258 14.27150 88.37132       5.561429  82.65597       5.465683  20.88812       28.67059 
1 1 1 -4  -1  14 o 521.8383 14.95145 58.59975       4.720961  61.69436       4.957510  -13.27515      30.03096 
1 1 1 -4  -1  15 o 248.7388 26.90185 10.20768       4.718707  16.26895       3.652810  -62.68874      61.33625 
1 1 1 -4  -1  16 o 553.1031 22.14559 62.72297       7.301292  75.25472       7.899643  -50.39502      44.87002 
1 1 1 -4  -1  17 o 128.6108 40.26565 2.815543       3.004590  6.789342       4.653904  -46.14167      70.17467 
1 1 1 -4  -1  18 o 177.9952 40.79457 9.462212       4.464187  6.782932       4.353304  27.02989       74.73732 
1 1 1 -4  -1  19 o 314.7046 26.71482 21.29673       4.990689  25.46641       5.361121  -28.48779      56.29165 
1 1 1 -4  -1  20 o 206.6600 27.41110 10.32760       3.378509  10.25780       3.478491  1.942673       58.18901 
1 1 1 -4  -1  21 o 73.28928 32.84377 1.040429       3.122161  -1.630953      3.047642  17.45203       54.75596 
1 1 1 -4  -1  22 o 175.9823 32.21057 8.248611       3.415080  7.774702       3.359102  5.073517       64.43923 
1 1 1 -4  0   1  o 132.4312 17.20684 3.741773       1.376400  4.104587       1.383928  -6.373421      35.21745 
1 1 1 -4  0   2  o 681.2617 12.03838 100.8413       5.062600  103.0575       5.112623  -7.616882      24.10798 
1 1 1 -4  0   3  f 855.4952 14.21058 163.7213       7.645977  158.1218       7.440785  14.83777       28.45212 
1 1 1 -4  0   4  o 362.9890 11.64669 27.93633       2.569410  30.09270       2.671759  -13.50790      23.35500 
1 1 1 -4  0   5  o 253.5325 14.41378 15.41807       2.289712  13.01589       2.226683  21.72345       29.10446 
1 1 1 -4  0   6  o 443.4897 12.13902 40.07911       3.259827  46.81351       3.418577  -34.54672      24.35586 
1 1 1 -4  0   7  o 86.72593 31.64670 1.882949       2.232320  0.9345850      2.193718  11.47563       52.27632 
1 1 1 -4  0   8  o 407.8238 13.12588 38.28229       3.371786  35.28751       3.263430  16.63861       26.38288 
1 1 1 -4  0   9  o 160.1707 26.23566 4.136888       2.392037  8.082563       2.662741  -53.29178      51.49974 
1 1 1 -4  0   10 o 631.4885 16.06709 80.76559       7.567938  91.87421       5.495619  -43.68793      34.78200 
1 1 1 -4  0   11 o 477.1155 19.78338 50.34864       4.131256  0.000000       0.000000  ?              ?        
1 1 1 -4  0   12 o 192.8155 23.57445 8.449355       2.767465  8.262789       2.754789  2.236526       48.54155 
1 1 1 -4  0   13 o 295.0260 17.29700 20.87434       3.182395  17.76070       3.121781  24.24963       35.02974 
1 1 1 -4  0   14 o 386.8654 15.81133 33.57447       3.730214  32.54120       3.845239  6.316528       31.85149 
1 1 1 -4  0   15 o 267.2328 21.97118 15.91417       3.509866  16.01659       3.719275  -0.2674255     44.96555 
1 1 1 -4  0   16 o 573.2333 17.26972 70.69457       7.269594  74.15716       5.404713  -18.30225      36.70974 
1 1 1 -4  0   17 o 304.2698 26.03654 20.21926       4.751667  22.17856       4.991329  -13.93564      53.94933 
1 1 1 -4  0   18 o 102.0540 39.21682 1.714828       3.023595  2.510166       4.274200  -17.27819      65.61036 
1 1 1 -4  0   19 o 96.90720 40.33462 2.715878       3.892954  -0.4618151     4.139559  18.65910       65.73304 
1 1 1 -4  0   20 o 99.20006 40.74437 1.145452       3.911441  2.262088       4.136131  -9.058548      66.22205 
1 1 1 -4  0   21 o 104.3374 37.64273 1.887559       3.114828  3.576617       3.122839  -15.46052      61.14880 
1 1 1 -4  0   22 o 119.7396 36.98256 3.837802       3.001970  4.082956       3.043846  -2.581764      61.95711 
1 1 1 -4  0   23 o 82.92129 35.45195 4.171149       3.292052  -2.099730      3.182395  43.30710       57.56178 
1 1 1 -4  1   1  o 282.6121 10.13820 17.76789       1.790478  17.35471       1.758845  3.321716       20.33472 
1 1 1 -4  1   2  o 502.8651 10.38864 54.71065       3.247793  56.32370       3.233466  -7.333740      20.82398 
1 1 1 -4  1   3  o 374.9261 10.69952 30.11049       2.482093  31.67587       2.489705  -9.539673      21.44845 
1 1 1 -4  1   4  o 747.8033 13.08686 123.0599       6.072563  122.7128       6.068850  1.057495       26.19963 
1 1 1 -4  1   5  o 323.5019 12.49052 24.13618       2.550151  22.01365       2.456147  14.93356       25.07686 
1 1 1 -4  1   6  o 631.7377 12.61166 91.30444       5.064452  84.56641       4.828502  24.16718       25.29583 
1 1 1 -4  1   7  o 292.6804 14.41059 19.32678       2.629815  18.55057       2.587268  6.025146       29.03129 
1 1 1 -4  1   8  o 518.3237 12.80963 60.03807       4.172706  58.51620       4.066625  6.555054       25.75105 
1 1 1 -4  1   9  o 312.0860 14.74734 20.51308       2.811019  22.70115       2.884217  -15.97089      29.75007 
1 1 1 -4  1   10 o 130.3436 38.43389 0.000000       0.000000  3.946074       2.346943  ?              ?        
1 1 1 -4  1   11 o 121.2848 32.81877 3.815727       2.456319  2.933262       2.607782  10.66297       57.06240 
1 1 1 -4  1   12 o 801.5321 15.10390 136.8406       7.326353  146.6290       7.707676  -27.54041      30.31301 
1 1 1 -4  1   13 o 478.9363 13.81981 48.89392       4.027537  52.36541       4.179676  -16.40393      27.74122 
1 1 1 -4  1   14 o 71.27790 32.07581 -1.071596      2.601975  -0.7382091     3.577479  -17.64652      55.90903 
1 1 1 -4  1   15 o 182.8616 27.23592 8.994643       3.000445  6.259972       2.990230  34.09079       55.21875 
1 1 1 -4  1   16 o 108.7551 36.29247 4.208848       2.843248  0.9300228      2.901336  34.98925       59.32119 
1 1 1 -4  1   17 o 266.5629 22.25891 20.19512       4.380656  13.87130       3.190230  48.84618       46.16312 
1 1 1 -4  1   18 o 174.1091 39.23408 6.174076       3.829349  9.498116       4.529352  -33.51237      72.53499 
1 1 1 -4  1   19 o 106.1282 38.52046 4.183679       2.878789  -0.3437057     3.889086  30.43078       61.45504 
1 1 1 -4  1   20 o 110.4752 41.96254 -0.2120021E-01 3.856461  6.025208       4.086903  -47.71278      67.39417 
1 1 1 -4  1   21 o 346.5807 25.24752 25.60145       5.228189  32.32742       5.569520  -42.71603      53.78606 
1 1 1 -4  1   22 o 78.90149 35.23577 -1.669534      4.012289  1.046943       3.168820  -6.848953      57.75021 
1 1 1 -4  1   23 o 115.7377 37.89409 5.121675       3.120228  2.473421       3.151080  25.73970       61.85534 
1 1 1 -4  2   1  o 840.2416 13.80368 157.9677       7.278536  152.4460       7.113784  14.91815       27.63495 
1 1 1 -4  2   2  o 425.0074 10.30468 41.57978       2.806219  37.96538       2.635301  19.31992       20.66682 
1 1 1 -4  2   3  o 82.41125 26.60477 0.8929571      1.563169  1.999885       1.534293  -16.64810      44.26825 
1 1 1 -4  2   4  o 123.6131 22.87438 3.411426       1.722514  3.539465       1.658156  -2.153877      44.23780 
1 1 1 -4  2   5  o 391.5862 11.55036 33.27014       2.833207  34.15284       2.773003  -5.201904      23.17236 
1 1 1 -4  2   6  o 449.8057 11.77894 45.50992       3.333225  43.57209       3.236465  9.764832       23.61652 
1 1 1 -4  2   7  o 288.1270 13.93810 19.30898       2.526267  17.43251       2.443372  14.82571       28.07429 
1 1 1 -4  2   8  o 384.8075 13.07199 33.53022       3.173563  31.93984       3.061093  9.276062       26.27957 
1 1 1 -4  2   9  o 234.1428 17.66052 13.05619       2.558494  11.42721       2.534018  16.13730       36.04844 
1 1 1 -4  2   10 o 468.3295 18.47622 0.000000       0.000000  48.66242       3.788026  ?              ?        
1 1 1 -4  2   11 o 173.8151 24.37738 6.485545       2.579263  7.163229       2.533828  -9.163239      49.79185 
1 1 1 -4  2   12 o 554.4326 13.51177 69.14609       4.698485  66.20705       4.597267  12.02917       27.12660 
1 1 1 -4  2   13 o 130.0314 32.18328 4.510811       2.620428  3.401715       2.544864  15.18843       57.33070 
1 1 1 -4  2   14 o 649.9144 14.16679 94.07906       5.757852  92.22244       5.666088  6.416321       28.45895 
1 1 1 -4  2   15 o 123.4958 35.56341 -0.2121585     2.744458  8.065862       3.018719  -96.69271      54.27988 
1 1 1 -4  2   16 o 318.9187 17.19647 21.32670       3.336988  23.94094       3.444421  -18.65381      34.77637 
1 1 1 -4  2   17 o 254.7669 20.38387 15.12164       3.199353  14.07801       3.189778  9.567184       41.79476 
1 1 1 -4  2   18 o 131.9737 42.62355 4.369246       3.984683  4.191003       3.964156  1.742157       71.12319 
1 1 1 -4  2   19 o 357.4455 23.64778 29.82934       5.224383  29.33610       5.203609  3.106720       49.07074 
1 1 1 -4  2   20 o 81.84405 35.26629 1.814172       2.799732  -2.604450      4.020459  13.95339       57.70176 
1 1 1 -4  2   21 f 151.2682 43.61438 7.579318       4.480728  5.666642       4.169594  16.40338       74.37829 
1 1 1 -4  2   22 o 94.21478 40.15973 -1.777903      4.464313  3.763794       3.861234  -27.38668      64.19021 
1 1 1 -4  2   23 o 114.0344 39.99022 2.344046       4.272438  4.468240       3.031969  -14.84455      64.30276 
1 1 1 -4  3   1  o 862.3263 14.32829 169.8539       7.885724  157.6904       7.460859  31.95929       28.69223 
1 1 1 -4  3   2  o 526.3141 11.12567 64.31713       3.761398  57.78637       3.515732  28.17944       22.30326 
1 1 1 -4  3   3  o 405.4022 11.09108 36.12094       2.792242  36.12094       2.780908  -0.7019043E-02 22.22720 
1 1 1 -4  3   4  o 176.0189 17.24767 6.805968       1.867154  6.961699       1.851137  -2.117722      35.30252 
1 1 1 -4  3   5  o 271.6480 13.40199 16.13401       2.297174  16.38613       2.208225  -2.242340      26.99317 
1 1 1 -4  3   6  o 246.7383 14.67697 12.99257       2.282423  13.87536       2.192791  -8.410217      29.70289 
1 1 1 -4  3   7  o 603.6487 12.58568 79.93883       4.763779  80.54558       4.663389  -2.417786      25.27092 
1 1 1 -4  3   8  o 307.2924 14.22848 20.79613       2.696190  21.01103       2.713631  -1.571594      28.67586 
1 1 1 -4  3   9  f 310.5871 15.02652 20.41498       2.833706  22.44912       2.942302  -14.81491      30.32518 
1 1 1 -4  3   10 o 302.7855 15.66130 17.75946       2.982469  22.70568       2.883198  -38.03848      32.04848 
1 1 1 -4  3   11 o 131.0674 30.49783 3.228432       2.521252  4.657149       2.353086  -19.32127      55.08764 
1 1 1 -4  3   12 o 371.5120 14.49724 29.27563       3.308954  31.63335       3.360792  -14.48849      29.14217 
1 1 1 -4  3   13 o 316.8304 15.76365 21.14135       3.077691  23.25418       3.099227  -15.31082      31.79263 
1 1 1 -4  3   14 o 226.3415 20.16165 11.72412       2.828660  11.18301       2.774494  5.429413       41.28049 
1 1 1 -4  3   15 o 79.27462 32.93452 0.5209925      2.721713  0.2848776      2.615227  3.681458       54.90705 
1 1 1 -4  3   16 o 527.0050 14.39188 65.17218       4.858841  58.02637       4.556649  30.51901       28.92165 
1 1 1 -4  3   17 o 142.9007 31.56324 4.039527       2.764262  5.612277       2.683771  -20.84132      58.07522 
1 1 1 -4  3   18 o 109.2424 34.99540 2.404999       2.770814  3.170504       2.602799  -7.620308      58.51955 
1 1 1 -4  3   19 o 138.6953 42.65861 2.811724       3.942904  7.461854       4.116263  -43.72549      70.63252 
1 1 1 -4  3   20 o 124.2786 42.73698 3.682957       4.159153  4.305592       3.829743  -4.171906      70.05276 
1 1 1 -4  3   21 o 224.4850 32.96637 12.81079       3.149444  0.000000       0.000000  ?              ?        
1 1 1 -4  3   22 o 257.2260 29.30247 22.74269       4.946153  11.94933       4.304936  91.80148       64.47357 
1 1 1 -4  3   23 f 70.26710 33.22255 -5.194713      4.045770  1.232263       3.630666  -22.51510      55.63301 
1 1 1 -4  3   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  4   1  f 537.9338 11.65040 63.40971       3.892505  63.70143       3.882790  -1.244141      23.35667 
1 1 1 -4  4   2  o 689.3700 12.75169 100.4221       5.366861  108.6726       5.543448  -27.22974      25.55796 
1 1 1 -4  4   3  o 879.5061 14.86430 176.1603       8.340043  164.6552       7.897263  29.58582       29.77426 
1 1 1 -4  4   4  o 624.7955 12.37030 89.56464       4.963284  82.48420       4.641662  25.65948       24.80830 
1 1 1 -4  4   5  o 293.6624 13.43365 19.61470       2.482915  18.43712       2.400486  9.102234       27.00998 
1 1 1 -4  4   6  o 499.0363 12.23020 53.30061       3.780593  56.27074       3.791456  -13.60443      24.55697 
1 1 1 -4  4   7  o 152.5029 23.81554 5.670058       2.190086  4.933475       2.168780  10.86560       47.88965 
1 1 1 -4  4   8  o 399.4585 13.09754 37.97005       3.390202  32.96932       3.110053  28.12592       26.33325 
1 1 1 -4  4   9  f 118.2234 30.86705 3.243173       2.339578  3.351185       2.239087  -1.057144      54.36751 
1 1 1 -4  4   10 o 200.7769 20.21622 9.911999       2.601670  8.320996       2.380288  17.76288       41.62813 
1 1 1 -4  4   11 o 671.1413 13.85831 97.59641       5.740761  100.8577       5.798738  -11.05206      27.81902 
1 1 1 -4  4   12 o 496.3575 13.32347 58.44218       4.272616  50.69332       3.944247  35.30576       26.72865 
1 1 1 -4  4   13 o 553.6529 13.66827 67.72417       4.744255  67.30771       4.645822  1.608765       27.45865 
1 1 1 -4  4   14 o 539.2982 13.93555 62.12052       4.618003  66.31300       4.699181  -17.68311      27.98542 
1 1 1 -4  4   15 o 209.8469 23.92225 11.33161       3.133388  8.650660       2.988678  29.59702       49.57663 
1 1 1 -4  4   16 o 74.02628 32.62006 -0.6526494E-01 2.993102  -0.8429393     2.843964  7.923439       55.17929 
1 1 1 -4  4   17 o 401.1675 15.12119 32.44112       3.706887  39.16859       3.807559  -38.31332      30.56026 
1 1 1 -4  4   18 o 465.2345 14.72214 48.77339       4.318499  47.61655       4.172051  5.239868       29.71452 
1 1 1 -4  4   19 o 197.8669 34.74539 9.928613       4.199948  9.451295       4.024028  3.914444       69.74011 
1 1 1 -4  4   20 o 68.72689 32.75169 -3.668632      3.740201  -1.602818      3.993174  -11.73469      56.46939 
1 1 1 -4  4   21 o 165.4433 40.82228 10.69167       4.285363  4.820662       4.051304  56.96710       71.47101 
1 1 1 -4  4   22 o 169.0013 35.53746 10.39865       3.371906  4.194632       3.899803  70.71313       63.67851 
1 1 1 -4  4   23 o 121.6265 43.08520 3.578140       4.352221  5.491237       3.830902  -14.52632      68.59853 
1 1 1 -4  4   24 o 95.96747 40.37751 0.5497691E-02  4.441459  3.946106       3.802912  -19.23549      63.31046 
1 1 1 -4  5   1  o 114.5616 26.85623 1.913632       1.881888  4.107235       1.868468  -34.47530      47.52081 
1 1 1 -4  5   2  o 1068.133 17.36636 249.9916       11.47093  252.3134       11.54279  -4.915405      34.79718 
1 1 1 -4  5   3  o 434.2764 12.29068 40.59334       3.331457  42.33689       3.284371  -9.217438      24.65697 
1 1 1 -4  5   4  o 213.4727 16.63650 10.50755       2.256992  9.731731       2.120668  8.149612       33.77778 
1 1 1 -4  5   5  o 106.5728 30.82604 4.056696       2.222029  1.287464       2.090446  39.32887       51.54903 
1 1 1 -4  5   6  o 705.6446 13.76254 113.7449       6.241561  106.1291       5.828107  24.20496       27.63807 
1 1 1 -4  5   7  o 384.1885 13.12501 30.98911       3.115600  34.18683       3.131178  -19.06183      26.40345 
1 1 1 -4  5   8  o 383.7202 13.55112 32.21699       3.267569  32.89051       3.175416  -4.215759      27.28426 
1 1 1 -4  5   9  o 154.0280 26.75121 3.443830       2.479391  7.498060       2.447531  -56.10516      51.55105 
1 1 1 -4  5   10 o 279.4006 16.11051 18.34701       2.891241  16.43891       2.681404  15.24258       32.57473 
1 1 1 -4  5   11 f 527.6761 13.50945 62.77257       4.516947  60.06460       4.326015  11.51862       27.11322 
1 1 1 -4  5   12 o 398.4613 14.44218 33.47967       3.582406  36.51525       3.545530  -17.51804      29.05951 
1 1 1 -4  5   13 f 164.9163 26.83945 6.737882       2.739507  5.750646       2.571230  13.00761       53.55554 
1 1 1 -4  5   14 o 230.2252 19.56490 10.55855       2.866095  12.95358       2.678771  -25.10112      40.74406 
1 1 1 -4  5   15 o 370.1700 15.96606 30.61092       3.791650  30.07457       3.536780  2.856415       32.22229 
1 1 1 -4  5   16 o 352.2284 17.29451 26.38158       3.916749  28.54627       3.633575  -14.86658      35.17654 
1 1 1 -4  5   17 o 398.5384 15.30652 35.89882       3.877162  34.69385       3.684348  6.445160       30.88573 
1 1 1 -4  5   18 o 172.1098 27.51726 5.024978       2.894975  8.748300       2.786009  -48.63580      55.18745 
1 1 1 -4  5   19 o 271.1136 22.43805 20.91725       4.674014  15.05156       3.207101  38.72028       47.94945 
1 1 1 -4  5   20 o 81.36388 36.29209 2.097169       3.883673  -2.180465      3.574008  27.82473       60.67229 
1 1 1 -4  5   21 o 106.5632 41.13027 6.612266       4.174428  -0.7932730E-01 3.594014  52.93532       66.39328 
1 1 1 -4  5   22 o 282.7528 23.02421 19.83092       3.513480  18.17041       4.779472  34.75974       54.51508 
1 1 1 -4  5   23 o 106.3526 41.37510 5.929958       4.255626  1.333265       3.654844  32.46862       66.13571 
1 1 1 -4  5   24 o 191.9682 38.86568 7.908245       4.657568  13.60795       4.302055  -60.63998      73.04913 
1 1 1 -4  6   1  o 450.6740 12.55812 41.20349       3.385596  48.69347       3.643277  -37.72778      25.17962 
1 1 1 -4  6   2  f 806.5312 14.74261 144.6656       7.423100  141.5806       7.329486  8.672302       29.56581 
1 1 1 -4  6   3  o 333.8700 13.47464 25.08723       2.818445  24.04737       2.752625  7.068542       27.06790 
1 1 1 -4  6   4  o 180.3171 21.79446 8.972469       2.433875  5.731569       2.345392  41.85974       45.24711 
1 1 1 -4  6   5  o 563.3679 15.43199 69.15400       4.712587  71.62312       6.472905  -7.802124      32.43336 
1 1 1 -4  6   6  o 187.0419 21.22413 9.453730       2.577795  6.613019       2.286456  34.47377       43.79409 
1 1 1 -4  6   7  o 77.04137 31.57198 -0.4440551     2.476747  1.404784       2.341533  -15.11407      52.20107 
1 1 1 -4  6   8  o 230.1124 18.73787 12.12112       2.712487  11.61772       2.594596  4.663162       38.32282 
1 1 1 -4  6   9  o 293.5166 15.86506 18.52986       2.896933  19.74604       2.859208  -9.678589      32.11607 
1 1 1 -4  6   10 o 561.1490 13.63719 68.53844       4.806935  70.33611       4.689259  -7.517883      27.43170 
1 1 1 -4  6   11 o 398.8076 14.39649 34.93786       3.637128  35.23108       3.479478  -1.900330      28.96540 
1 1 1 -4  6   12 o 358.3784 15.29453 30.85167       3.466440  26.06621       3.322724  30.42783       30.79942 
1 1 1 -4  6   13 o 184.5188 24.46653 7.303640       2.821869  8.054812       2.649309  -10.11313      50.47416 
1 1 1 -4  6   14 o 171.4235 27.66720 6.684463       2.951787  6.807676       2.743460  -2.179886      55.55616 
1 1 1 -4  6   15 o 74.33656 32.67838 -1.401077      3.011992  0.3950310      2.817537  -9.924156      55.09495 
1 1 1 -4  6   16 o 355.6667 17.43858 25.90152       3.957515  30.04868       3.724482  -27.55350      35.58427 
1 1 1 -4  6   17 o 431.2124 15.30257 42.26905       4.188506  40.40524       3.992154  9.411896       30.86279 
1 1 1 -4  6   18 o 141.0280 33.12947 4.716438       3.038458  4.952800       2.690527  -3.068558      60.42783 
1 1 1 -4  6   19 o 207.8272 34.50645 14.10428       4.457654  7.702226       4.144639  65.14711       68.90192 
1 1 1 -4  6   20 o 322.2972 24.54001 27.17481       5.123061  22.36268       4.649934  30.70972       51.73933 
1 1 1 -4  6   21 o 341.6977 24.32365 29.50032       5.342682  26.52590       4.926553  15.73700       51.58464 
1 1 1 -4  6   22 o 192.7164 30.38411 11.30569       3.228585  7.192286       3.886432  56.66045       62.95881 
1 1 1 -4  6   23 o 91.19510 38.65645 -2.516220      3.964739  5.312702       3.636733  -44.47176      61.02504 
1 1 1 -4  6   24 o 248.7563 30.93039 21.02329       5.137957  13.73761       4.310363  51.57939       70.18948 
1 1 1 -4  7   1  f 215.7345 19.56916 7.959599       2.653427  12.53742       2.531611  -50.62080      41.87035 
1 1 1 -4  7   2  o 347.2247 14.01296 28.16042       3.116337  25.18787       2.917598  19.36914       28.16007 
1 1 1 -4  7   3  o 330.1956 15.02212 25.17089       3.117421  23.02492       3.022533  14.78995       30.22948 
1 1 1 -4  7   4  o 339.5418 14.81937 26.56479       3.159287  24.40656       3.070243  14.46030       29.81952 
1 1 1 -4  7   5  o 435.8887 13.42645 44.09773       3.775038  40.04323       3.493435  20.87756       26.97709 
1 1 1 -4  7   6  o 202.2633 21.29989 7.231412       2.650415  11.12198       2.614719  -45.81047      45.14628 
1 1 1 -4  7   7  o 108.7391 33.76490 4.302090       2.617741  1.361702       2.424783  37.52765       56.04097 
1 1 1 -4  7   8  o 193.2125 23.56112 9.191670       2.877340  7.909732       2.665864  14.58945       48.85462 
1 1 1 -4  7   9  o 293.8705 16.99695 23.51903       3.321813  15.96282       2.892905  57.73563       34.49710 
1 1 1 -4  7   10 o 131.6499 33.18966 4.499774       2.866691  3.724530       2.575269  11.17435       59.10518 
1 1 1 -4  7   11 o 532.1205 14.09847 64.54547       4.788239  60.52637       4.522346  16.95868       28.30499 
1 1 1 -4  7   12 o 166.5095 39.60116 6.531562       2.849917  0.000000       0.000000  ?              ?        
1 1 1 -4  7   13 o 81.68748 33.15597 1.445708       2.744271  0.1298947E-01  2.516692  16.52613       55.17436 
1 1 1 -4  7   14 o 464.5796 14.56276 44.70229       4.188851  50.71869       4.194423  -29.70523      29.33812 
1 1 1 -4  7   15 o 92.20924 35.99638 1.152735       3.096745  1.350220       2.868471  1.098534       59.51617 
1 1 1 -4  7   16 o 222.3583 26.83807 5.479197       3.677814  16.76689       3.578386  -118.5132      57.61474 
1 1 1 -4  7   17 o 296.5547 18.59316 20.05419       3.522224  19.39087       3.295419  4.325409       37.87447 
1 1 1 -4  7   18 o 88.47102 37.27576 1.242440       3.725378  0.1546924      3.293355  12.51719       61.84435 
1 1 1 -4  7   19 o 103.3291 40.44841 4.654844       4.038046  0.1639490      3.542862  38.18420       66.09812 
1 1 1 -4  7   20 o 146.0319 43.15657 2.113570       4.592144  8.755980       3.863601  -58.25430      69.48735 
1 1 1 -4  7   21 o 152.5908 38.37719 6.774813       3.247031  5.873208       4.186698  14.35820       68.55365 
1 1 1 -4  7   22 o 142.2810 40.10241 5.878111       3.389436  6.269491       4.089708  0.2595520      68.93369 
1 1 1 -4  7   23 o 85.82799 37.99909 6.321056       4.553773  -2.412747      3.610975  51.18121       63.42724 
1 1 1 -4  7   24 o 86.70940 38.05309 -1.510541      4.404027  3.400647       3.583084  -20.13007      59.77358 
1 1 1 -4  8   1  o 352.0549 15.25254 27.36506       3.376583  27.39529       3.271991  -0.3609009     30.71179 
1 1 1 -4  8   2  o 316.2563 16.51536 19.03930       3.300127  24.98536       3.161834  -43.82553      33.91739 
1 1 1 -4  8   3  o 283.6427 16.74931 18.47551       3.055863  17.29020       2.825486  9.144043       33.88974 
1 1 1 -4  8   4  o 93.34595 33.33276 4.004553       2.595022  -0.8721735E-01 2.307367  49.65401       53.94570 
1 1 1 -4  8   5  o 485.2891 14.23683 50.52857       4.267523  53.60131       4.294906  -14.46921      28.62677 
1 1 1 -4  8   6  o 65.24308 29.47113 0.3118299      2.590566  -1.929831      2.491575  17.81231       50.42663 
1 1 1 -4  8   7  o 221.6495 20.64531 10.36419       2.873328  11.71048       2.743116  -14.96356      42.85736 
1 1 1 -4  8   8  o 359.5006 18.73628 27.83712       3.636851  30.78862       5.015721  -14.38239      39.51752 
1 1 1 -4  8   9  o 317.0057 16.95497 24.29012       3.530396  20.76621       3.146600  24.59927       34.29581 
1 1 1 -4  8   10 o 329.0737 16.74949 23.77512       3.575445  24.16172       3.261806  -3.325317      33.97249 
1 1 1 -4  8   11 f 96.55507 35.63796 2.758571       3.125593  0.9555841      2.587699  24.65480       59.38241 
1 1 1 -4  8   12 o 243.0193 30.94648 13.44221       3.224055  0.000000       0.000000  ?              ?        
1 1 1 -4  8   13 o 277.2188 19.05279 14.09678       3.270056  20.07031       3.243072  -50.38853      39.53518 
1 1 1 -4  8   14 o 111.2603 36.33227 1.043100       2.949998  4.340917       2.820899  -34.98751      59.47171 
1 1 1 -4  8   15 o 223.4640 24.08356 12.52071       3.398998  10.18501       3.183193  23.80257       49.85766 
1 1 1 -4  8   16 o 197.2876 31.77910 9.718848       4.653786  8.762449       3.235696  5.471588       66.26640 
1 1 1 -4  8   17 o 149.2765 42.64009 7.983624       4.342461  3.492106       3.971445  44.98117       72.32883 
1 1 1 -4  8   18 o 135.3925 43.33181 3.444680       4.295098  5.662398       3.954078  -18.80666      71.89713 
1 1 1 -4  8   19 o 199.0727 35.99996 8.293192       4.399772  11.54914       4.173202  -36.59215      71.28416 
1 1 1 -4  8   20 o 116.2884 38.34159 5.244398       3.021650  1.489444       3.433241  34.73239       61.84989 
1 1 1 -4  8   21 o 151.6531 39.61528 5.704340       3.377987  7.850278       4.331005  -15.91714      70.65534 
1 1 1 -4  8   22 o 144.2377 44.91169 8.930599       4.720798  5.085196       4.216845  27.99386       74.01981 
1 1 1 -4  8   23 o 92.68410 40.21831 -0.9005476E-01 4.631609  3.273940       4.006428  -13.98907      63.24207 
1 1 1 -4  8   24 o 77.23266 36.16102 2.340900       4.827458  -2.128391      3.968806  20.95330       59.14881 
1 1 1 -4  9   1  o 445.5143 15.24335 43.42622       4.311714  44.36017       4.108579  -5.198486      30.72689 
1 1 1 -4  9   2  o 112.0266 34.63993 1.302152       2.651545  4.444035       2.650435  -37.37910      57.20383 
1 1 1 -4  9   3  o 420.7210 15.26129 37.81361       4.072507  40.45236       3.886644  -14.80637      30.83184 
1 1 1 -4  9   4  o 124.3923 34.21923 4.628761       2.914718  2.917706       2.564437  23.09410       59.37752 
1 1 1 -4  9   5  o 61.68617 28.43814 -0.1697241     2.651183  -2.204911      2.416405  17.75519       49.37178 
1 1 1 -4  9   6  o 214.0647 22.41903 8.737664       3.012914  11.86440       2.858924  -35.62659      47.56078 
1 1 1 -4  9   7  f 73.25606 31.94865 -2.286518      2.706676  1.922971       2.759819  -33.29955      53.61721 
1 1 1 -4  9   8  o 62.40882 29.35408 -3.294002      2.968148  -0.9320816     2.861987  -11.47846      51.14419 
1 1 1 -4  9   9  o 241.8168 20.79441 15.16473       3.217960  11.30545       2.974365  36.47720       42.72245 
1 1 1 -4  9   10 o 319.5816 17.59033 21.09445       3.538419  24.06812       3.412428  -21.75833      35.73248 
1 1 1 -4  9   11 o 88.23713 37.20598 -2.112071      4.892995  1.101163       2.847747  6.200226       63.67611 
1 1 1 -4  9   12 o 494.6164 23.10355 54.51307       4.998581  0.000000       0.000000  ?              ?        
1 1 1 -4  9   13 o 91.74238 37.33192 1.550703       4.486365  0.6288481      2.772516  27.70435       64.64944 
1 1 1 -4  9   14 o 348.2172 24.88622 24.85482       5.348892  29.73800       5.331436  -32.91180      51.18700 
1 1 1 -4  9   15 o 480.3735 22.53528 55.62777       7.072782  48.30470       6.374471  33.18381       45.68410 
1 1 1 -4  9   16 o 127.9188 43.87046 5.747711       4.369859  1.955782       4.044239  35.19230       72.24369 
1 1 1 -4  9   17 o 310.2635 26.07367 23.25556       5.239031  21.16309       4.741740  12.90161       54.25255 
1 1 1 -4  9   18 o 181.7260 33.38952 4.651654       3.213799  14.09649       4.250266  -99.31645      62.69592 
1 1 1 -4  9   19 o 72.65632 32.68095 -1.664880      2.984192  0.7847384      3.197182  -17.95556      54.96636 
1 1 1 -4  9   20 o 193.5357 40.43393 10.36818       4.858291  10.23864       4.551744  -1.930984      77.66815 
1 1 1 -4  9   21 o 96.18154 41.14460 1.630511       4.555151  1.711834       4.193165  1.461273       65.81819 
1 1 1 -4  9   22 o 110.5960 43.33898 3.856801       4.420845  3.817046       4.240071  0.3917999      67.96325 
1 1 1 -4  9   23 o 114.1502 43.47477 6.996501       4.735723  2.699593       3.911188  26.27443       68.72689 
1 1 1 -4  9   24 o 92.54327 36.44418 -0.1002715     3.279451  4.612620       2.901614  -33.35464      56.58234 
1 1 1 -4  10  1  o 103.3889 41.74712 3.811243       4.051134  -1.247168      4.222503  34.43545       68.14736 
1 1 1 -4  10  2  o 235.0049 32.46122 12.95412       4.604748  12.75629       4.607051  1.988266       67.30977 
1 1 1 -4  10  3  o 136.7862 43.03550 1.272579       3.957698  8.040071       4.198730  -64.70518      69.76138 
1 1 1 -4  10  4  o 180.9190 40.61562 9.834848       4.867465  6.640441       4.118252  32.08290       75.06993 
1 1 1 -4  10  5  o 122.9177 49.87755 0.000000       0.000000  2.191956       4.196175  ?              ?        
1 1 1 -4  10  6  o 348.4739 24.52888 33.39733       5.712007  23.06712       4.914361  65.38324       50.32908 
1 1 1 -4  10  7  o 114.9259 44.26275 3.368223       4.697915  1.449690       4.244491  18.31727       72.97697 
1 1 1 -4  10  8  o 291.7026 27.45481 17.36729       5.220799  20.76026       4.647990  -30.07547      58.29062 
1 1 1 -4  10  9  o 238.3648 31.71569 10.89597       4.754820  14.79426       4.411096  -39.57686      66.24359 
1 1 1 -4  10  10 o 373.4153 24.55786 29.01920       5.857150  32.99887       5.475952  -25.80692      50.43322 
1 1 1 -4  10  11 o 116.2376 47.60715 0.000000       0.000000  1.383389       3.865955  ?              ?        
1 1 1 -4  10  12 o 651.7429 23.50671 92.94978       9.837118  96.38902       9.173507  -13.80341      47.71918 
1 1 1 -4  10  13 o 462.8468 24.01234 54.47078       7.334593  43.06590       6.484971  54.15421       48.78762 
1 1 1 -4  10  14 o 102.4985 43.36236 5.669672       5.121194  -3.321139      4.455035  64.18953       72.41017 
1 1 1 -4  10  15 o 257.2426 27.91662 12.06367       3.830286  20.83212       5.275719  -71.43813      57.99899 
1 1 1 -4  10  16 o 189.8943 31.53396 11.22765       3.554418  5.652180       3.614992  64.20406       62.08946 
1 1 1 -4  10  17 o 118.1396 45.07503 5.507831       4.791224  0.6555845      4.411767  37.82902       73.45277 
1 1 1 -4  10  18 o 152.5791 45.41310 7.173548       5.066367  5.615652       4.268408  13.68349       77.41428 
1 1 1 -4  10  19 o 147.3124 45.80320 1.717029       4.638577  10.64211       4.616881  -73.52263      72.78763 
1 1 1 -4  10  20 o 204.9698 39.94605 13.50556       5.255385  10.09548       4.602207  25.11475       78.96609 
1 1 1 -4  10  21 o 111.7017 44.14413 2.414444       4.962492  4.465571       4.183354  -10.59040      69.46271 
1 1 1 -4  10  22 o 171.0431 37.52147 5.989639       5.196681  9.660226       3.220547  -54.20163      67.46194 
1 1 1 -4  10  23 f 167.9536 30.89577 5.194733       3.434370  9.598715       2.847934  -60.89288      59.37674 
1 1 1 -4  10  24 o 122.5979 43.39318 0.000000       0.000000  5.750604       2.916347  ?              ?        
1 1 1 -4  11  1  o 202.2137 42.41719 6.690086       4.557057  15.59836       6.059321  -81.49228      78.78661 
1 1 1 -4  11  2  o 216.7761 35.23550 11.83953       4.605811  10.30836       4.545934  15.59418       71.07282 
1 1 1 -4  11  3  o 122.0530 43.12123 2.526524       3.989042  3.980731       4.158837  -13.81356      71.16258 
1 1 1 -4  11  4  o 280.9595 29.17921 15.21653       5.032722  20.91701       4.990587  -48.80122      61.87762 
1 1 1 -4  11  5  o 262.6949 30.17006 12.74077       4.788401  19.05959       4.867015  -56.91956      63.79680 
1 1 1 -4  11  6  o 74.12689 35.17849 -3.285153      4.871941  -3.617373      3.984358  13.22040       62.05748 
1 1 1 -4  11  7  o 375.6465 25.60642 32.73757       6.275113  30.84356       5.638207  9.734985       52.40631 
1 1 1 -4  11  8  o 325.4694 27.76202 21.38651       5.817361  25.92620       5.319163  -34.72629      58.35281 
1 1 1 -4  11  9  o 408.3678 23.71341 34.69938       6.002115  39.64341       5.960536  -28.16815      48.22919 
1 1 1 -4  11  10 o 446.4938 23.11672 46.21397       6.563525  42.80952       6.212574  16.81226       46.79456 
1 1 1 -4  11  11 o 372.9659 35.35766 0.000000       0.000000  31.83377       5.715265  ?              ?        
1 1 1 -4  11  12 o 270.5156 32.19975 20.70567       5.511812  13.48619       5.106213  61.22192       67.43517 
1 1 1 -4  11  13 o 131.1105 46.56186 3.943259       4.989032  3.537583       4.546012  6.274796       76.92017 
1 1 1 -4  11  14 o 171.8961 45.97810 3.467783       4.952980  11.10959       5.044450  -69.86345      77.37062 
1 1 1 -4  11  15 o 303.6717 31.50977 23.54527       5.907041  19.09053       5.793497  34.51746       66.31692 
1 1 1 -4  11  16 o 171.4747 45.43154 3.224699       4.738341  12.37886       5.099755  -83.56087      75.83469 
1 1 1 -4  11  17 o 108.9558 44.28228 -0.7345057     4.852694  4.268353       4.535768  -29.30413      71.68976 
1 1 1 -4  11  18 o 163.2117 47.26735 5.889438       5.170298  8.843464       4.956009  -25.24530      80.04486 
1 1 1 -4  11  19 o 102.2955 38.28761 1.736593       3.460510  3.200777       3.116622  -10.38033      61.84898 
1 1 1 -4  11  20 o 227.7067 25.45243 13.27715       3.753970  12.15759       3.348254  5.808823       55.43311 
1 1 1 -4  11  21 o 100.6637 37.07235 3.417371       3.327049  2.358899       2.828302  10.44347       59.94641 
1 1 1 -4  11  22 o 76.77479 33.64256 2.228446       3.305071  -0.3112805     2.865618  18.42603       54.58924 
1 1 1 -4  11  23 o 107.5024 38.39810 4.049771       3.545612  3.710115       2.995870  1.503342       61.04365 
1 1 1 -4  11  24 o 97.87341 37.24629 2.184220       3.406566  4.042788       2.909473  -13.90284      57.85584 
1 1 1 -4  12  1  o 233.7229 28.93959 11.58199       3.565966  14.08531       5.001390  -19.23900      61.75813 
1 1 1 -4  12  2  o 105.4864 39.56144 0.7855603      3.225894  3.719912       3.859288  -32.61921      65.69965 
1 1 1 -4  12  3  o 103.5706 38.56664 -1.645661      3.179987  6.244214       3.467732  -75.90491      60.58072 
1 1 1 -4  12  4  f 117.3987 37.96561 2.224874       3.119622  3.989764       3.186556  -19.40105      63.33987 
1 1 1 -4  12  5  o 298.9341 21.25849 19.29836       4.015512  20.52643       3.824180  -10.10458      43.41039 
1 1 1 -4  12  6  o 68.12942 31.75653 -4.112186      3.437810  -0.3405822     3.147643  -16.20787      55.03372 
1 1 1 -4  12  7  o 105.2189 40.97615 4.973449       4.830294  0.1363937      3.294384  54.80747       70.08689 
1 1 1 -4  12  8  o 106.8002 38.18505 -0.7162205     3.352746  4.741951       3.068552  -48.91739      60.78679 
1 1 1 -4  12  9  o 389.6537 18.66010 30.82394       4.686266  36.09635       4.329365  -32.01245      38.17241 
1 1 1 -4  12  10 o 470.6896 23.76276 0.000000       0.000000  49.48703       4.890188  ?              ?        
1 1 1 -4  12  11 o 152.7590 39.02087 9.831107       5.087827  4.034451       3.062267  64.73428       71.59195 
1 1 1 -4  12  12 o 399.9234 18.14730 35.96579       4.736725  35.29051       4.278662  2.668060       36.84107 
1 1 1 -4  12  13 o 141.8345 41.15025 7.570246       4.082406  2.645741       3.622212  52.32704       69.21786 
1 1 1 -4  12  14 o 117.6428 40.96849 4.086635       3.862428  2.100423       3.497107  21.33259       67.86468 
1 1 1 -4  12  15 o 696.2159 24.91180 0.000000       0.000000  109.7678       7.595386  ?              ?        
1 1 1 -4  12  16 o 245.3866 26.67155 11.73848       4.106168  15.96776       3.891777  -43.16460      57.32319 
1 1 1 -4  12  17 o 152.4694 38.38990 6.793883       3.751339  5.228986       3.516211  16.80373       68.46874 
1 1 1 -4  12  18 o 99.11758 37.83044 4.635822       3.379416  0.3506798E-01  3.105325  41.39840       61.19487 
1 1 1 -4  12  19 o 140.9974 37.52528 2.923134       3.323719  8.166914       3.355820  -56.02760      63.22208 
1 1 1 -4  12  20 o 76.79464 34.02532 -1.464434      3.364213  1.631873       3.082527  -15.82733      55.51455 
1 1 1 -4  12  21 o 226.2821 25.82524 13.98921       3.738042  12.13786       3.405541  13.41386       57.38599 
1 1 1 -4  12  22 o 63.28908 29.92027 -3.896660      3.341723  0.9727001      2.900860  -17.25525      49.54332 
1 1 1 -4  12  23 o 69.90750 32.23172 0.6817827      3.405976  -0.4769620     3.106030  7.293427       51.87693 
1 1 1 -4  12  24 f 66.98653 31.10746 -0.2930305E-01 3.411497  -0.3686482E-01 2.867937  3.424232       49.94214 
1 1 1 -4  13  1  o 106.6005 40.41933 -1.703256      3.329247  7.553164       4.161012  -90.07766      64.60268 
1 1 1 -4  13  2  o 160.8052 38.91000 7.128324       3.397409  4.247349       4.514003  26.78503       69.73192 
1 1 1 -4  13  3  o 263.1285 25.09312 14.11900       3.776661  17.44716       4.383295  -27.66164      51.63680 
1 1 1 -4  13  4  o 137.7153 39.39862 4.348734       3.362416  4.510010       3.738873  -3.799942      67.86378 
1 1 1 -4  13  5  o 329.2412 20.23512 27.15623       4.228604  21.33821       4.005939  40.35248       41.09114 
1 1 1 -4  13  6  o 103.9240 39.02864 3.109091       3.572463  0.8637278      3.266347  23.57909       64.48258 
1 1 1 -4  13  7  o 431.7396 18.60056 39.36990       5.035652  43.14649       4.906583  -20.38266      37.59872 
1 1 1 -4  13  8  o 103.6286 40.84492 -1.050820      4.683346  2.842428       3.363056  -13.59054      67.17284 
1 1 1 -4  13  9  o 176.5043 32.85575 5.644114       3.654337  8.574341       3.302350  -35.01378      63.38943 
1 1 1 -4  13  10 o 93.64314 37.74779 -2.459830      3.743768  3.442101       3.095353  -37.54709      60.79288 
1 1 1 -4  13  11 o 110.5650 39.66237 4.803133       3.947540  1.092192       3.112822  41.86579       66.08673 
1 1 1 -4  13  12 o 229.0108 28.57455 8.447318       4.195078  14.95614       3.779770  -69.10716      61.42414 
1 1 1 -4  13  13 o 119.9689 41.28115 0.8825597      3.924055  5.017366       3.540697  -34.55732      67.08290 
1 1 1 -4  13  14 o 247.5553 41.82835 0.000000       0.000000  14.83409       4.380321  ?              ?        
1 1 1 -4  13  15 o 204.6122 31.96250 5.412923       4.028563  14.02448       3.827626  -93.06046      63.36444 
1 1 1 -4  13  16 o 180.4451 37.11015 5.602434       4.237384  10.18516       3.824510  -50.75064      69.08244 
1 1 1 -4  13  17 o 117.0945 41.26181 4.378193       3.968953  2.689139       3.522600  16.57180       67.73589 
1 1 1 -4  13  18 o 76.26940 34.64743 1.231614       3.893560  -1.936379      3.316178  23.18629       58.46258 
1 1 1 -4  13  19 o 96.36403 39.00365 -0.5710259E-01 3.846499  3.850259       3.426474  -24.14425      61.93375 
1 1 1 -4  13  20 o 83.22920 36.43592 -0.3685946     3.693046  1.891658       3.483849  -11.31923      58.64496 
1 1 1 -4  13  21 o 100.6718 39.32676 2.883683       3.821358  3.253573       3.336230  -1.879959      61.89836 
1 1 1 -4  13  22 o 100.0728 42.36284 0.000000       0.000000  3.429676       3.211388  ?              ?        
1 1 1 -4  13  23 o 151.7525 37.55551 6.452558       3.687570  8.715880       3.366289  -27.43949      66.05352 
1 1 1 -4  13  24 o 65.39172 30.58634 1.144910       3.351860  -1.027214      2.879563  12.11442       49.33502 
1 1 1 -4  14  1  o 81.24477 36.27443 -0.3373118     3.368706  -1.944017      4.225465  -2.464401      61.86436 
1 1 1 -4  14  2  o 187.5116 35.31214 8.474380       3.638333  7.732229       4.376708  8.817795       68.79440 
1 1 1 -4  14  3  o 341.2259 22.55093 27.72178       4.371998  23.40850       5.237558  31.80899       47.71110 
1 1 1 -4  14  4  o 239.9451 27.50000 14.54959       3.837485  11.15402       4.229688  35.05965       58.28733 
1 1 1 -4  14  5  o 366.0276 20.73491 29.25038       4.564849  30.40501       4.823215  -6.709717      41.98979 
1 1 1 -4  14  6  o 207.0849 29.20018 8.878337       3.600332  10.76271       3.695591  -20.77045      59.80505 
1 1 1 -4  14  7  o 80.70216 35.68869 -0.6071135     3.711504  -0.6661135     3.354925  5.425774       60.45388 
1 1 1 -4  14  8  o 110.2657 40.54842 5.009082       3.768121  -0.3198927E-02 3.530544  46.72710       65.93243 
1 1 1 -4  14  9  o 426.6650 19.31737 39.69890       5.283515  41.28946       4.933373  -9.544739      39.22186 
1 1 1 -4  14  10 o 126.7525 40.01042 6.517048       3.662593  1.379327       3.388700  53.94685       65.52049 
1 1 1 -4  14  11 o 344.2766 22.81972 25.91649       5.170151  27.22613       4.575916  -11.12259      47.16345 
1 1 1 -4  14  12 o 153.7067 40.90539 8.991565       4.354962  3.395089       3.669555  59.76814       70.36093 
1 1 1 -4  14  13 o 367.3678 23.18145 39.24343       5.775832  24.20663       4.854895  90.48859       47.51536 
1 1 1 -4  14  14 o 86.20760 37.87890 1.145938       4.208063  -1.339882      3.660084  21.60978       63.89093 
1 1 1 -4  14  15 o 278.4217 26.77073 16.29123       4.674778  19.62101       4.465737  -30.54871      57.07697 
1 1 1 -4  14  16 o 318.1713 31.21367 0.000000       0.000000  24.42392       4.300192  ?              ?        
1 1 1 -4  14  17 o 54.70092 27.23661 -2.883260      3.966110  -7.869774      3.418403  22.55448       50.17804 
1 1 1 -4  14  18 o 117.8215 41.77824 5.526865       4.128876  2.810948       3.578885  22.53632       67.84683 
1 1 1 -4  14  19 f 130.6564 41.88776 4.877568       4.116365  5.460667       3.618029  -6.237526      68.82780 
1 1 1 -4  14  20 o 109.6252 41.36681 3.347278       4.162597  4.129462       3.582309  -5.225609      65.23604 
1 1 1 -4  14  21 o 77.06346 34.84171 -1.508481      3.703936  2.405047       3.429684  -17.19664      55.55823 
1 1 1 -4  14  22 o 70.05989 32.74080 3.397762       3.921916  -2.803371      3.230753  30.84339       54.61798 
1 1 1 -4  14  23 o 74.98099 34.26485 0.2191107E-01  3.830872  1.620653       3.336746  -4.895355      53.47050 
1 1 1 -4  14  24 o 79.57709 39.77805 -0.9568516E-01 5.760151  0.000000       0.000000  ?              ?        
1 1 1 -4  15  1  o 142.0757 42.07194 5.355867       3.712490  3.938612       4.290349  10.98395       71.60596 
1 1 1 -4  15  2  o 112.0761 41.89042 2.421236       3.606507  2.135159       4.326435  -4.662811      69.39328 
1 1 1 -4  15  3  o 385.0951 22.66742 29.04733       4.731975  40.67078       6.433670  -63.83762      46.45612 
1 1 1 -4  15  4  o 250.8325 29.39105 13.46067       4.086114  15.66980       5.033684  -16.64378      61.67646 
1 1 1 -4  15  5  o 314.8711 23.88235 22.44191       4.371477  22.02690       4.940433  5.023254       49.33093 
1 1 1 -4  15  6  f 361.7613 30.21943 29.78000       4.751466  0.000000       0.000000  ?              ?        
1 1 1 -4  15  7  o 236.3670 28.58383 12.19266       3.975286  13.46669       4.250589  -11.43806      59.48463 
1 1 1 -4  15  8  o 134.9322 41.66291 3.778059       4.010521  4.752481       3.683338  -7.823624      70.25484 
1 1 1 -4  15  9  o 340.1249 22.27347 25.51544       4.749216  26.43452       4.601382  -6.843903      45.47865 
1 1 1 -4  15  10 o 133.2078 43.85016 -0.3741231     4.339215  8.042522       4.066740  -71.73322      68.82914 
1 1 1 -4  15  11 o 458.0697 20.25103 41.12443       5.716709  52.71007       5.763801  -58.40341      41.31676 
1 1 1 -4  15  12 o 370.9174 23.82416 51.45420       6.184222  18.13818       4.931366  199.8307       51.89880 
1 1 1 -4  15  13 o 158.8348 43.33134 7.523850       4.548251  5.324139       4.241656  21.74976       75.32068 
1 1 1 -4  15  14 o 87.37209 38.26319 3.312555       4.203094  -2.735150      3.747014  42.35252       64.39146 
1 1 1 -4  15  15 o 112.9561 42.13811 0.8575646      4.288585  4.434226       3.697532  -23.85909      67.88190 
1 1 1 -4  15  16 o 99.60837 40.52934 5.317769       4.295293  -0.7010542     3.645756  46.43863       66.41183 
1 1 1 -4  15  17 o 71.29585 33.42926 -0.8551919     4.131849  -2.127106      3.423034  13.10056       56.78088 
1 1 1 -4  15  18 o 119.8976 42.50825 2.750604       4.317351  5.612517       3.677614  -21.45363      67.52668 
1 1 1 -4  15  19 o 137.8294 42.51331 6.994208       4.316888  5.340116       3.737376  11.13422       70.65314 
1 1 1 -4  15  20 o 82.02010 36.56220 -0.3149015     3.922131  2.106208       3.631999  -10.34774      57.99326 
1 1 1 -4  15  21 o 64.71127 31.00288 -1.317306      3.817886  -1.341045      3.346177  3.429024       50.73872 
1 1 1 -4  15  22 o 84.47020 36.46561 4.640618       3.778513  0.2819611      3.253271  23.96174       57.17169 
1 1 1 -4  15  23 o 67.23672 31.85703 -0.8406553     3.735661  0.3911543      3.387969  -2.713806      50.38555 
1 1 1 -4  16  1  o 168.0170 42.88518 4.776413       4.388026  9.014233       4.586920  -42.59143      75.00925 
1 1 1 -4  16  2  o 405.6958 22.98896 40.75477       5.487236  32.07306       6.082089  51.97858       48.09114 
1 1 1 -4  16  3  o 461.9831 21.48307 41.94524       5.550440  56.69185       6.967974  -68.75540      43.63227 
1 1 1 -4  16  4  o 87.80396 38.39144 -1.897530      3.506289  2.446038       4.679092  -41.94312      66.51294 
1 1 1 -4  16  5  o 142.2674 43.59809 3.585174       3.752257  6.910577       4.893055  -36.49971      74.59228 
1 1 1 -4  16  6  o 84.06039 37.69569 -3.123854      3.749234  2.014331       4.490634  -39.49556      65.14942 
1 1 1 -4  16  7  o 227.0339 34.04314 15.01346       4.457818  8.494023       4.862037  66.65125       69.71810 
1 1 1 -4  16  8  o 238.3001 33.78308 8.144885       4.651275  19.29800       5.085953  -104.2278      68.66673 
1 1 1 -4  16  9  o 376.3050 23.11337 33.58068       5.610687  30.34361       5.156637  18.36816       47.11700 
1 1 1 -4  16  10 o 461.8322 29.62339 0.000000       0.000000  48.71531       5.969310  ?              ?        
1 1 1 -4  16  11 o 53.06645 26.79394 -8.394957      4.224770  -10.40945      4.178827  5.465004       49.69189 
1 1 1 -4  16  12 o 123.1202 43.99238 2.763384       4.357928  4.054310       4.146542  -9.192909      72.16149 
1 1 1 -4  16  13 o 293.4866 32.77508 21.56662       5.099559  18.64387       7.127226  43.30898       76.10898 
1 1 1 -4  16  14 o 154.8654 41.51173 3.592282       4.110113  8.903362       4.028768  -52.56529      70.43829 
1 1 1 -4  16  15 o 132.5084 43.08884 4.831182       4.134700  4.723577       3.984599  1.148392       71.33437 
1 1 1 -4  16  16 o 272.0985 28.28894 16.75139       4.829777  19.45290       4.589836  -28.33632      62.37193 
1 1 1 -4  16  17 o 93.06647 39.47173 -3.490005      4.361204  5.295734       3.645210  -45.60414      61.94327 
1 1 1 -4  16  18 o 121.3774 42.87694 3.549719       4.383067  5.507169       3.742721  -15.06290      68.17746 
1 1 1 -4  16  19 o 93.48233 39.57355 2.747830       4.358729  1.949030       3.659075  6.369812       62.31238 
1 1 1 -4  16  20 o 78.75520 35.84642 0.3414037      4.358879  1.059647       3.478349  0.8615799      56.68869 
1 1 1 -4  16  21 o 62.00558 30.33039 -2.675541      4.342049  -2.264660      3.553922  4.062408       50.02337 
1 1 1 -4  16  22 o 104.9057 41.83122 3.393713       4.405292  6.403037       3.844721  -17.45415      61.82931 
1 1 1 -4  16  23 o 75.89256 34.96405 -0.3549129     4.212670  3.003644       3.502393  -10.70705      53.06241 
1 1 1 -4  17  1  o 254.6776 40.98816 9.444977       5.127091  32.48650       8.748511  -168.3201      80.26907 
1 1 1 -4  17  2  o 98.34254 41.98872 0.1953916E-01  4.422813  0.5253547      4.641435  -5.579147      70.04838 
1 1 1 -4  17  3  o 112.6703 44.41461 0.2844599      4.217986  4.268704       5.024085  -36.16884      73.77536 
1 1 1 -4  17  4  o 190.0028 44.22106 7.543436       4.322728  11.60153       6.599583  -36.87279      83.34202 
1 1 1 -4  17  5  o 133.9214 47.72334 6.780451       4.575739  -0.4387327     5.558739  45.86020       76.34028 
1 1 1 -4  17  6  o 214.9758 39.02534 12.08744       4.658412  9.494804       5.462113  27.80455       76.89232 
1 1 1 -4  17  7  f 148.6317 46.94526 8.644467       4.711198  1.559174       4.984517  58.48483       76.06020 
1 1 1 -4  17  8  o 82.80180 39.18069 0.7153141      5.281166  -8.521522      5.391029  35.48788       68.50959 
1 1 1 -4  17  9  x ?        ?        -15.43948      4.865803  -19.74914      5.374848  0.6192169      47.86890 
1 1 1 -4  17  10 o 180.2574 44.49759 11.85623       4.931085  4.529719       4.959395  68.18233       76.83551 
1 1 1 -4  17  11 o 151.8661 44.16443 6.128360       4.592658  5.702196       4.245653  4.505722       75.58305 
1 1 1 -4  17  12 o 177.4882 39.38301 5.433327       4.213777  10.56283       4.231660  -53.31990      71.47979 
1 1 1 -4  17  13 o 115.4357 45.40469 2.533427       3.997269  3.701972       6.263285  -19.13840      75.67094 
1 1 1 -4  17  14 o 203.9516 36.65298 10.18710       4.659270  11.18954       4.296230  -14.24129      73.73920 
1 1 1 -4  17  15 o 154.8283 42.74191 7.322615       4.401762  6.438822       4.094180  6.976196       73.99305 
1 1 1 -4  17  16 o 88.43445 38.25276 2.793246       4.067735  -0.1966822     3.666920  19.56237       61.92875 
1 1 1 -4  17  17 o 102.3839 41.41426 0.1867151      4.131265  5.492514       4.023909  -32.39767      65.08633 
1 1 1 -4  17  18 o 222.3293 34.82515 13.90612       4.749499  14.14672       4.547788  -7.233475      75.56491 
1 1 1 -4  17  19 o 89.03328 39.17361 4.148160       4.562850  0.4818400      3.895977  18.36585       61.52996 
1 1 1 -4  17  20 o 73.72856 36.40775 -2.351766      4.276683  0.000000       0.000000  ?              ?        
1 1 1 -4  17  21 o 74.79460 34.86972 1.898700       4.436578  -0.7641570E-01 3.612024  9.543343       54.70438 
1 1 1 -4  17  22 o 75.47283 34.95406 0.7702610      4.309707  1.878536       3.557674  -2.413147      53.29927 
1 1 1 -4  17  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  18  1  f 308.5421 30.23522 23.74532       5.660647  20.14032       5.766132  28.68942       63.75965 
1 1 1 -4  18  2  o 207.6592 41.43604 12.86054       5.157764  8.162451       5.143129  45.52594       78.52263 
1 1 1 -4  18  3  o 203.1390 42.49717 11.53829       5.048255  8.509152       5.328669  29.85576       79.88114 
1 1 1 -4  18  4  f 237.8559 37.06337 11.22689       4.911911  16.53633       5.772559  -45.70406      75.53826 
1 1 1 -4  18  5  o 123.2911 46.69285 4.586740       4.387300  0.4035671      5.656441  18.97807       75.91572 
1 1 1 -4  18  6  o 186.1819 42.75916 9.415935       4.357163  7.284557       5.512270  21.65605       78.51573 
1 1 1 -4  18  7  o 226.4991 39.03854 17.79764       5.023226  5.836442       5.597228  111.1209       74.03775 
1 1 1 -4  18  8  o 244.7025 36.82714 18.11511       5.084412  9.641375       5.824804  82.52328       75.93851 
1 1 1 -4  18  9  o 143.7489 46.69205 6.331346       4.489551  3.852460       5.098974  18.32541       77.21501 
1 1 1 -4  18  10 o 106.6386 44.29030 -2.236601      4.496095  6.685361       5.228517  -61.28432      72.98356 
1 1 1 -4  18  11 o 106.1920 43.45143 4.385041       4.471117  -0.8300911     4.631165  31.81075       70.27997 
1 1 1 -4  18  12 o 204.2515 39.65988 6.197102       4.729997  16.02477       4.966147  -93.14209      73.39780 
1 1 1 -4  18  13 o 123.9060 49.62032 3.941951       4.093584  0.000000       0.000000  ?              ?        
1 1 1 -4  18  14 o 88.12123 38.26669 0.5931532      3.796575  0.9698882      3.980572  -3.597893      62.21510 
1 1 1 -4  18  15 o 122.5600 44.02439 0.4979438      4.353740  8.528950       4.173014  -57.91179      68.37199 
1 1 1 -4  18  16 o 73.64565 34.61520 1.918907       4.235111  -3.634003      3.868236  25.43170       57.86537 
1 1 1 -4  18  17 o 117.2902 43.82501 2.183346       4.355230  7.099375       4.222283  -32.23297      68.20753 
1 1 1 -4  18  18 o 98.89275 41.62395 0.4265797      4.505977  5.763632       4.198173  -26.28903      63.88228 
1 1 1 -4  18  19 o 73.85883 36.13168 0.000000       0.000000  -1.606448      3.905410  ?              ?        
1 1 1 -4  18  20 o 72.91929 36.27856 -2.721863      4.556141  0.000000       0.000000  ?              ?        
1 1 1 -4  18  21 o 108.7088 43.27049 4.608839       4.623651  7.598993       4.163587  -16.27834      62.57218 
1 1 1 -4  18  22 o 61.60764 30.31169 -3.884589      4.430572  0.4582641      3.777148  -7.289116      47.81458 
1 1 1 -4  19  1  o 77.59989 36.68621 -1.649816      4.572058  -4.567696      4.748539  9.956520       63.12323 
1 1 1 -4  19  2  o 115.3185 47.28498 -0.4403064E-01 4.604708  6.572472       6.837441  -53.41650      80.64240 
1 1 1 -4  19  3  o 98.52013 42.28529 0.3780187      4.503949  0.7120104      4.781504  -4.572006      69.89760 
1 1 1 -4  19  4  o 267.1398 33.84450 14.91360       5.289132  19.50474       5.699353  -37.72890      71.73565 
1 1 1 -4  19  5  o 135.5478 48.31086 3.014751       4.620977  6.725621       5.826144  -32.30315      80.04515 
1 1 1 -4  19  6  o 80.68427 37.57246 -4.790690      4.025516  2.551851       5.446865  -49.72660      67.43207 
1 1 1 -4  19  7  o 138.3462 46.83653 4.200773       4.272574  6.015211       5.531520  -18.29359      78.16344 
1 1 1 -4  19  8  o 166.6368 45.90821 10.51670       4.434154  2.579432       5.542456  66.30676       75.21529 
1 1 1 -4  19  9  o 122.7514 46.42085 4.271912       4.357258  2.480987       5.534371  6.225403       75.21356 
1 1 1 -4  19  10 f 93.11618 41.33352 1.453318       4.401001  -1.838356      5.237404  9.115463       67.80267 
1 1 1 -4  19  11 o 180.6004 44.58459 9.322927       4.671093  8.849224       5.320812  8.198654       80.25665 
1 1 1 -4  19  12 o 158.5334 51.81415 11.35024       6.931225  6.060690       5.173792  30.26767       85.99070 
1 1 1 -4  19  13 o 102.3500 48.22766 -0.5639755     5.606292  0.000000       0.000000  ?              ?        
1 1 1 -4  19  14 o 78.34734 36.10351 -1.030477      4.039073  0.2296371      4.090267  -5.893822      58.89857 
1 1 1 -4  19  15 o 109.2519 42.29489 4.866915       4.215618  2.700309       3.960390  14.35415       66.65497 
1 1 1 -4  19  16 o 80.18068 36.73042 -1.609971      4.270143  1.851002       3.988153  -13.07021      58.89437 
1 1 1 -4  19  17 o 77.67969 35.74337 0.6775745      4.211781  0.2128564      3.754030  4.108734       56.83383 
1 1 1 -4  19  18 o 71.94393 33.83910 2.131779       4.066508  -1.895134      3.703092  16.46757       54.28607 
1 1 1 -4  19  19 o 87.38432 39.04384 1.482265       4.606587  3.796744       4.087544  -8.556007      58.73984 
1 1 1 -4  19  20 o 78.39484 36.40991 5.935000       4.597569  -1.140931      3.979532  23.66761       56.21293 
1 1 1 -4  19  21 o 73.44126 34.86450 3.055802       4.667357  0.1831930      3.993373  8.601135       52.83416 
1 1 1 -4  19  22 o 66.11649 32.93912 0.000000       0.000000  -0.6564965     3.809204  ?              ?        
1 1 1 -4  20  1  o 114.9651 45.97714 -3.048014      4.820381  9.174158       5.119911  -80.18723      72.84305 
1 1 1 -4  20  2  o 128.4903 50.08506 3.793122       4.949530  4.173162       7.147680  -10.97459      81.93791 
1 1 1 -4  20  3  o 104.7686 46.10897 -0.1537952     5.065193  1.965577       7.018652  -22.40745      76.97142 
1 1 1 -4  20  4  o 215.3539 40.65948 13.63121       5.115769  10.15991       5.357795  35.34885       79.76191 
1 1 1 -4  20  5  o 145.5069 47.77452 4.313784       4.921668  7.361200       5.045289  -24.02423      78.59605 
1 1 1 -4  20  6  o 103.6000 43.34689 1.438630       4.416398  1.816244       4.967947  -6.097404      70.57541 
1 1 1 -4  20  7  o 135.6808 47.41027 6.546886       4.504513  2.820804       5.454985  24.41101       76.31622 
1 1 1 -4  20  8  f 123.5677 47.50458 7.630860       4.856656  -0.7658511     5.440399  49.94555       74.55786 
1 1 1 -4  20  9  o 138.6862 48.65696 5.078147       4.649824  6.468806       5.937169  -10.22461      79.35603 
1 1 1 -4  20  10 o 171.6149 45.34533 9.275187       4.399382  7.458759       5.619507  22.15269       78.99591 
1 1 1 -4  20  11 o 118.2490 46.07045 2.640840       4.280002  6.430971       5.789402  -25.22032      74.55695 
1 1 1 -4  20  12 o 90.69310 44.06681 0.000000       0.000000  -3.109892      5.537463  ?              ?        
1 1 1 -4  20  13 o 118.5037 48.28986 6.684659       4.789552  1.157853       7.000542  22.82558       73.43015 
1 1 1 -4  20  14 o 81.68027 37.43654 0.2252161      4.015930  0.4923147E-01  4.627347  -2.796227      60.25817 
1 1 1 -4  20  15 o 131.6087 45.74352 7.103106       4.575572  5.780082       4.563399  8.728088       71.83146 
1 1 1 -4  20  16 o 71.38396 34.42722 -5.910589      4.563426  2.867838       4.554648  -26.02554      56.68022 
1 1 1 -4  20  17 o 93.95962 40.63495 4.569036       4.418840  2.211097       4.274354  10.21365       61.43588 
1 1 1 -4  20  18 o 74.56489 34.87380 1.425098       4.240826  0.3038362      3.820259  5.025925       54.10353 
1 1 1 -4  20  19 o 70.32314 33.52626 0.7890648      4.236202  -0.1256081     3.893254  3.731575       52.01732 
1 1 1 -4  20  20 o 65.34145 31.84649 2.183745       4.408814  -2.484784      3.978491  12.45181       49.85204 
1 1 1 -4  20  21 o 74.09939 35.00821 3.632279       4.406192  1.220932       4.070592  6.364983       51.59481 
1 1 1 -4  21  1  o 133.5108 52.92255 -1.990733      6.354237  13.49591       6.698199  -80.29412      82.69344 
1 1 1 -4  21  2  o 94.02665 43.99502 -1.647275      6.772947  -1.251007      6.082490  2.815521       72.11377 
1 1 1 -4  21  3  o 116.3550 50.10773 4.728606       6.701705  0.9320762      6.412087  17.04565       79.64781 
1 1 1 -4  21  4  o 191.9883 55.81559 13.94166       7.045295  9.965958       7.040765  26.37259       93.55137 
1 1 1 -4  21  5  o 81.84613 38.23074 -3.882191      4.640274  1.024429       4.975245  -22.55976      64.27133 
1 1 1 -4  21  6  o 95.77412 42.36197 -0.1575637     4.461183  2.222565       5.679163  -18.52679      69.54273 
1 1 1 -4  21  7  o 75.54943 36.01289 -3.928169      4.443666  -0.8788068     4.944780  -15.34848      61.04924 
1 1 1 -4  21  8  o 96.56647 41.98683 1.586443       4.166515  1.073726       5.477245  -4.529396      67.69903 
1 1 1 -4  21  9  o 86.73617 39.58794 3.022497       4.133758  -5.696511      5.694156  23.64534       63.57862 
1 1 1 -4  21  10 o 111.4371 45.35786 7.580637       4.408514  -2.696476      5.680218  49.07756       69.19347 
1 1 1 -4  21  11 o 76.04982 36.18190 -1.344310      4.121721  -2.276350      5.525200  -6.273643      59.81796 
1 1 1 -4  21  12 o 108.1415 50.80377 0.000000       0.000000  2.810091       6.139011  ?              ?        
1 1 1 -4  21  13 o 77.12840 36.87679 -3.857050      4.637438  1.754171       5.410982  -21.34364      60.86977 
1 1 1 -4  21  14 o 81.44821 38.42968 -1.676249      4.642855  2.417945       5.627172  -16.08613      61.48108 
1 1 1 -4  21  15 o 84.91522 38.69308 -0.4360995     4.202563  4.318908       4.859947  -19.38685      60.61151 
1 1 1 -4  21  16 o 69.32674 33.49316 0.9786645      4.174282  -3.286699      4.574933  9.977394       53.27118 
1 1 1 -4  21  17 o 87.83909 39.67973 6.148511       4.563336  -0.1639231E-01 4.646471  21.35506       59.57202 
1 1 1 -4  21  18 o 70.60563 33.95079 0.3972099      4.329775  0.5773827E-01  4.384150  0.7531815      52.33017 
1 1 1 -4  21  19 o 60.49635 30.13713 -3.226342      4.593605  -1.298653      4.423853  -2.945213      47.49937 
1 1 1 -4  21  20 o 73.11025 34.70734 0.6489626      4.338935  3.693835       4.171130  -7.787460      51.11477 
1 1 1 -4  22  1  o 105.1280 50.28048 -8.193279      9.756502  4.306928       8.856397  -23.08817      80.25344 
1 1 1 -4  22  2  o 110.7028 50.82283 5.175651       8.127407  -1.966196      7.783444  21.56929       80.45997 
1 1 1 -4  22  3  o 104.1361 48.19721 7.001028       7.545441  -5.481901      7.185788  39.03485       78.05027 
1 1 1 -4  22  4  o 99.14342 46.68920 -0.9924560     7.162835  -0.4126160     7.687097  -3.630913      74.81657 
1 1 1 -4  22  5  o 90.89486 41.13202 -1.178216      5.062622  1.817001       4.888293  -11.55986      66.34541 
1 1 1 -4  22  6  o 127.8608 54.03774 3.709680       6.779521  8.550241       8.147349  -18.00486      83.33450 
1 1 1 -4  22  7  o 91.77458 43.44561 3.843700       6.564028  -5.928000      6.583370  27.40611       70.61872 
1 1 1 -4  22  8  o 90.23605 42.65154 5.156124       6.452857  -6.276399      6.138507  35.04299       69.96134 
1 1 1 -4  22  9  o 142.4154 54.73381 9.854726       6.484588  6.536433       7.167458  16.80406       82.85422 
1 1 1 -4  22  10 o 132.0810 53.25246 7.121586       6.640641  7.639730       6.793441  -1.781631      80.03456 
1 1 1 -4  22  11 o 112.4301 48.27417 2.178785       6.469270  6.853325       5.698282  -17.52258      72.77814 
1 1 1 -4  22  12 o 84.92574 41.79602 0.000000       0.000000  -2.194047      5.477472  ?              ?        
1 1 1 -4  22  13 o 62.45332 31.25367 -8.786314      4.516334  0.9872779E-01  5.970414  -25.33420      54.51255 
1 1 1 -4  22  14 o 67.42078 33.27160 -6.963981      4.529632  3.666658       5.723135  -28.57632      56.23938 
1 1 1 -4  22  15 o 96.98863 43.00987 3.476130       4.705691  6.385994       5.740520  -7.664856      63.14164 
1 1 1 -4  22  16 o 64.35148 31.79152 -1.124837      4.222457  -4.141759      5.183731  2.226837       50.76311 
1 1 1 -4  22  17 o 77.06801 36.48509 2.806209       4.316452  0.8058765      5.041376  4.622665       54.37888 
1 1 1 -4  22  18 o 71.14256 34.41364 3.194607       4.557291  -0.9962915     4.727350  9.099182       51.69331 
1 1 1 -4  22  19 o 70.87655 34.28696 5.245048       4.614137  -1.469521      4.601017  14.29533       50.97705 
1 1 1 -4  23  1  o 99.68079 44.59108 -0.2391273     5.722846  4.111958       5.594781  -16.05820      69.89777 
1 1 1 -4  23  2  o 86.82918 40.63833 -0.1291592     5.489323  -0.6834140     5.444520  2.028198       65.22221 
1 1 1 -4  23  3  o 152.8570 50.52495 10.52460       5.431368  6.347074       5.718023  28.11598       79.99343 
1 1 1 -4  23  4  o 106.6320 44.98039 2.454882       4.976367  4.248052       5.213159  -8.951904      70.05399 
1 1 1 -4  23  5  o 90.21973 40.97420 2.641935       4.964121  -0.8636042     5.014912  13.50425       65.08304 
1 1 1 -4  23  6  o 139.8871 51.82985 6.419400       5.237795  10.60352       7.138934  -12.99476      80.43438 
1 1 1 -4  23  7  o 90.04628 43.34592 -0.5625699E-02 6.806481  -1.914917      7.543489  1.932518       68.19374 
1 1 1 -4  23  8  o 106.5283 48.75383 -3.502906      6.706866  14.14409       7.922561  -49.65475      76.75078 
1 1 1 -4  23  9  o 93.96010 44.78987 1.894516       6.914759  0.3323919      7.595091  2.180367       68.59740 
1 1 1 -4  23  10 o 82.37312 40.45906 -13.68170      6.257966  19.80301       8.553520  -74.19765      73.82294 
1 1 1 -4  23  11 o 87.81619 42.79902 -0.4837601     6.388867  2.694105       9.687733  -8.885292      65.66783 
1 1 1 -4  23  12 o 91.46034 43.56829 2.842546       6.704240  3.065860       6.937377  -0.5394211     64.58746 
1 1 1 -4  23  13 o 76.72821 37.49077 1.923285       4.911748  -6.034181      7.878321  6.919205       57.53402 
1 1 1 -4  23  14 o 75.82547 37.70579 -3.245990      6.931431  0.7443216      6.919963  -5.504120      57.68862 
1 1 1 -4  23  15 f 84.10788 41.00602 9.569054       7.242547  -2.374154      6.674210  18.57269       60.67873 
1 1 1 -4  23  16 o 72.57087 35.89374 3.853630       5.920560  -2.301615      6.006611  9.098236       53.60528 
1 1 1 -4  23  17 o 73.34322 36.03709 -1.021416      5.576069  4.939992       5.796795  -9.570290      53.14091 
1 1 1 -4  23  18 o 73.27699 36.24396 3.229713       6.197716  3.177490       5.971627  -0.1570892E-01 51.79209 
1 1 1 -4  24  1  o 122.1036 49.64039 2.235905       5.854210  9.773458       5.928296  -33.42488      75.43967 
1 1 1 -4  24  2  o 85.97196 40.57005 0.2726112      5.731833  -0.5552227     5.568267  3.036980       64.26921 
1 1 1 -4  24  3  o 89.71594 42.92168 -0.2700013E-01 5.594363  0.1529845      9.243707  -8.667465      67.71312 
1 1 1 -4  24  4  o 87.67221 40.60230 5.004881       5.287880  -2.830582      5.182728  26.50857       64.23569 
1 1 1 -4  24  5  o 103.3286 44.47915 0.3565616      5.045489  7.702687       5.279653  -30.83415      68.22311 
1 1 1 -4  24  6  o 83.12657 38.78474 1.255685       4.661327  -0.1328502     5.218430  2.606850       60.70105 
1 1 1 -4  24  7  o 87.40968 40.43242 3.494212       4.736648  -1.314117      5.743357  12.55482       62.22223 
1 1 1 -4  24  8  o 79.00980 38.10630 2.449776       4.678930  -7.854961      7.371478  12.75556       59.48051 
1 1 1 -4  24  9  o 67.78557 33.22739 -1.778801      4.405980  -3.151803      5.170022  -0.4674911     53.64467 
1 1 1 -4  24  10 o 82.20824 38.57018 1.965920       4.762646  0.6304410      5.220719  2.974106       58.99072 
1 1 1 -4  24  11 o 78.25428 37.04128 1.215211       4.477347  0.2631158      5.143884  1.091339       57.03687 
1 1 1 -4  24  12 o 73.37793 35.59383 -2.561729      4.771688  2.484402       5.390431  -13.26997      55.79102 
1 1 1 -4  24  13 o 65.40725 32.93976 -3.405050      4.839166  -7.442347      9.699925  -7.023529      52.50505 
1 1 1 -4  24  14 o 75.80668 38.38060 0.7806534      6.354554  0.000000       0.000000  ?              ?        
1 1 1 -4  24  15 o 67.71203 34.41460 -0.4437883     6.244638  -10.81577      11.18408  1.611908       51.88864 
1 1 1 -4  24  16 o 67.17560 34.13144 -1.146352      5.968936  -2.123523      11.87844  -2.918861      50.81773 
1 1 1 -4  24  17 o 63.28645 32.37191 -1.375014      6.207946  -8.585744      11.85438  -0.5172958     48.29574 
1 1 1 -4  25  1  o 93.07092 43.13659 4.425277       6.041240  0.5332617E-01  5.816887  12.83758       66.07417 
1 1 1 -4  25  2  o 100.1117 45.10156 2.318488       5.881498  5.261877       5.923236  -9.197174      67.66858 
1 1 1 -4  25  3  o 83.62734 40.77010 -1.412396      5.599361  2.322548       9.707474  -12.78217      64.11459 
1 1 1 -4  25  4  o 72.59393 35.69876 -3.601929      5.509898  -1.340679      5.725776  -5.466743      57.11265 
1 1 1 -4  25  5  o 79.68867 38.12476 -2.143001      5.319388  2.384801       5.361690  -11.73908      59.54658 
1 1 1 -4  25  6  o 73.47337 35.61335 -3.441155      4.975373  1.331080       5.094294  -12.28029      56.67368 
1 1 1 -4  25  7  o 80.28186 38.44636 -2.694835      4.996570  5.341366       6.082226  -21.78746      60.52975 
1 1 1 -4  25  8  o 81.92699 38.36098 -0.2560889     4.541607  4.072283       5.308134  -13.81572      58.99773 
1 1 1 -4  25  9  o 76.94611 37.41892 0.4904101      4.807733  -0.1384726     7.302236  -2.954208      57.29698 
1 1 1 -4  25  10 o 61.35130 30.71646 -6.406346      4.559659  -0.1268838     5.453063  -14.36743      50.31170 
1 1 1 -4  25  11 o 65.21596 32.29628 -1.713869      4.657053  -1.789009      5.145416  -1.343948      50.58656 
1 1 1 -4  25  12 o 62.57985 31.28690 -4.864424      4.816747  -0.5891474E-01 5.318430  -9.352081      49.58937 
1 1 1 -4  25  13 o 58.12062 29.32373 -6.496802      4.655366  -1.007553      5.378697  -10.29676      47.24099 
1 1 1 -4  25  14 o 62.85910 31.52999 2.600197       4.964937  -7.497478      5.788088  12.10509       48.68243 
1 1 1 -4  25  15 o 61.94256 31.09120 -1.082544      4.774662  -1.465420      5.833460  -1.185974      47.21352 
1 1 1 -4  26  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -4  26  3  o 72.26705 36.22362 -5.986610      5.661495  1.198946       10.04397  -17.58169      58.90372 
1 1 1 -4  26  4  o 75.59970 37.12457 -5.053507      5.915964  3.269607       6.096064  -15.91990      58.17324 
1 1 1 -4  26  5  o 93.41930 42.99119 9.083589       5.850834  -0.4353070     5.627618  25.63732       63.97849 
1 1 1 -4  26  6  o 83.06844 39.43049 -1.482587      5.259081  6.283578       5.744665  -19.17262      59.91716 
1 1 1 -4  26  7  f 79.29442 37.80431 -1.502596      4.713738  6.010884       5.749638  -19.33827      58.16961 
1 1 1 -4  26  8  o 66.41816 33.05750 -0.5012358     4.974641  -5.052530      5.882947  4.790329       51.89974 
1 1 1 -4  26  9  o 62.36189 31.24402 0.5107118      4.986626  -7.698561      5.352872  11.81779       49.91931 
1 1 1 -4  26  10 o 77.91380 37.17625 2.127779       4.662695  2.869305       5.439417  -1.743622      54.72815 
1 1 1 -4  26  11 o 62.74865 31.36033 -3.596038      4.781470  0.1492142      5.376354  -7.263199      48.85159 
1 1 1 -4  26  12 o 65.49636 32.54873 -2.744402      4.886461  2.423648       5.409755  -8.953537      49.60477 
1 1 1 -3  -25 1  o 102.9712 49.81197 -0.3946530     9.435766  0.5439780      10.03946  -2.602806      76.82696 
1 1 1 -3  -25 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -24 1  o 99.73996 50.25450 0.000000       0.000000  -11.00691      10.14605  ?              ?        
1 1 1 -3  -24 2  o 106.2387 51.67490 -2.508327      11.08286  -0.2178888     10.62337  -2.621696      80.44150 
1 1 1 -3  -24 3  o 135.8794 62.11142 2.021914       11.74151  15.70652       11.66422  -26.49431      91.44683 
1 1 1 -3  -23 1  o 145.3675 64.20540 5.060756       11.58143  12.52096       11.14653  -17.96214      95.58958 
1 1 1 -3  -23 2  o 109.1119 52.83881 0.2963760      11.83873  -4.585571      10.34271  12.01654       84.09824 
1 1 1 -3  -23 3  o 112.0806 54.32117 -7.378166      12.54296  3.536883       11.01300  -13.64603      84.80075 
1 1 1 -3  -23 4  o 106.8557 51.57430 5.295621       9.960075  -9.471892      10.63108  24.67264       81.94421 
1 1 1 -3  -23 5  o 108.8474 51.84477 -9.985691      9.731937  9.886995       9.566949  -40.63866      82.81567 
1 1 1 -3  -22 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -22 2  o 137.8222 62.44940 13.29433       12.43631  -1.010336      10.76207  35.51273       97.29331 
1 1 1 -3  -22 3  o 105.3069 51.39726 6.428022       11.94136  -13.09174      10.23354  38.42982       85.49402 
1 1 1 -3  -22 4  o 104.8658 50.15636 -5.506562      9.421601  0.4235902      9.048550  -11.48538      80.98395 
1 1 1 -3  -22 5  o 155.7676 63.87360 14.69884       10.14438  6.179024       9.591914  27.05070       96.32693 
1 1 1 -3  -22 6  o 117.0233 53.35873 4.146569       7.953967  -0.3995949E-01 9.348482  8.131119       83.18475 
1 1 1 -3  -22 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -21 1  o 144.8316 63.22239 5.225704       11.18027  4.721006       10.31738  3.215073       98.97997 
1 1 1 -3  -21 2  o 150.0349 66.75459 -0.1871275E-02 12.77671  10.61617       12.24395  -25.97845      103.6733 
1 1 1 -3  -21 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -21 4  o 132.3453 63.68159 -0.7428723     15.21980  0.5181015      15.56297  -2.333313      98.84935 
1 1 1 -3  -21 5  o 110.9759 53.12873 2.646914       10.90645  -6.526803      9.973429  21.52751       85.95834 
1 1 1 -3  -21 6  o 134.1745 61.61818 -1.093029      15.77764  6.011939       9.714408  -5.123779      94.95755 
1 1 1 -3  -21 7  o 140.3472 64.63274 0.000000       0.000000  6.443970       9.189945  ?              ?        
1 1 1 -3  -21 8  o 102.2812 51.44017 0.000000       0.000000  -13.78564      10.37178  ?              ?        
1 1 1 -3  -20 1  o 255.6248 69.77817 23.23368       11.62277  17.64426       11.13720  28.44429       120.3256 
1 1 1 -3  -20 2  f 216.1755 74.67869 14.21040       13.75047  18.32714       11.03398  -23.36082      117.5494 
1 1 1 -3  -20 3  o 133.5883 63.74879 0.000000       0.000000  -2.748234      10.41594  ?              ?        
1 1 1 -3  -20 4  o 136.8596 64.68456 0.000000       0.000000  -0.6728587     10.22625  ?              ?        
1 1 1 -3  -20 5  o 130.3860 62.98639 -4.497144      15.35355  -1.699340      15.47482  -4.346039      99.77583 
1 1 1 -3  -20 6  o 129.2605 62.25444 4.104502       14.31266  -7.511075      15.30982  15.24805       97.67233 
1 1 1 -3  -20 7  o 161.2847 70.88799 0.000000       0.000000  10.02781       9.678499  ?              ?        
1 1 1 -3  -20 8  o 97.77687 47.87339 0.9780847      13.64806  -8.745165      7.997798  36.54543       83.04454 
1 1 1 -3  -20 9  o 114.9649 53.95602 1.756064       13.25939  -0.4227726     8.072160  17.55755       87.14629 
1 1 1 -3  -19 1  o 125.0581 60.55720 0.000000       0.000000  -10.50190      10.22665  ?              ?        
1 1 1 -3  -19 2  o 131.5520 60.95034 0.000000       0.000000  -2.342066      8.354554  ?              ?        
1 1 1 -3  -19 3  o 194.6853 75.15118 8.116320       17.42744  13.32809       10.65975  -12.90311      118.5757 
1 1 1 -3  -19 4  o 169.9149 64.33576 19.58313       10.46336  1.485321       8.464147  86.11955       103.4817 
1 1 1 -3  -19 5  f 138.8510 61.22167 12.52329       13.17843  -1.375316      8.720200  55.43349       102.5036 
1 1 1 -3  -19 6  o 127.9078 59.90145 3.977418       13.05168  -4.486204      11.02159  25.22662       97.27348 
1 1 1 -3  -19 7  o 168.3810 69.85226 15.34477       14.47876  7.397192       10.43519  22.34108       108.5479 
1 1 1 -3  -19 8  o 134.7538 65.23553 0.000000       0.000000  -1.298624      11.84860  ?              ?        
1 1 1 -3  -19 9  o 137.0235 65.82922 0.000000       0.000000  1.672998       11.52280  ?              ?        
1 1 1 -3  -19 10 o 90.98758 44.54095 -5.757839      9.215181  -7.023172      7.825094  9.988373       74.85855 
1 1 1 -3  -18 1  o 219.5238 83.37936 0.000000       0.000000  12.84914       11.07369  ?              ?        
1 1 1 -3  -18 2  o 99.44404 48.18886 -9.467337      10.60234  -8.461322      8.239487  16.02251       84.77470 
1 1 1 -3  -18 3  o 176.6955 64.69009 15.65139       10.47599  3.088920       8.384335  70.21072       106.0188 
1 1 1 -3  -18 4  o 210.2267 64.60080 7.012863       9.821618  16.96542       8.746137  -58.68147      105.6626 
1 1 1 -3  -18 5  o 286.6820 56.02979 21.10441       10.16776  23.46368       9.129335  -25.07018      110.1407 
1 1 1 -3  -18 6  o 129.2309 57.04345 1.117595       9.330915  2.108361       8.616104  -0.2568054     92.05109 
1 1 1 -3  -18 7  o 137.8056 59.83429 -8.493233      12.53074  7.896493       7.953545  -32.17458      94.24599 
1 1 1 -3  -18 8  o 124.6333 58.80391 1.445771       12.86123  -4.211589      11.05606  18.01309       95.36929 
1 1 1 -3  -18 9  o 121.1570 58.08488 -6.202293      12.77504  0.3140890E-01  12.31443  -9.822556      93.20078 
1 1 1 -3  -18 10 o 132.4926 59.61152 0.7197683      8.692076  8.689075       13.22618  -29.75587      96.27779 
1 1 1 -3  -18 11 o 147.1970 65.52819 11.88069       12.30125  1.982010       11.83951  24.56345       100.4705 
1 1 1 -3  -18 12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -17 1  o 933.9618 36.82272 198.7708       15.05547  0.000000       0.000000  ?              ?        
1 1 1 -3  -17 2  o 175.5339 64.88123 21.48667       10.06637  -4.281769      8.765595  144.2733       100.7206 
1 1 1 -3  -17 3  o 267.6404 58.16535 22.58748       9.963417  14.70732       8.889022  52.57117       108.5572 
1 1 1 -3  -17 4  o 186.8894 65.05543 -1.016889      9.950114  16.52816       8.669519  -89.48419      101.4870 
1 1 1 -3  -17 5  o 159.0458 63.18865 2.241698       9.078125  8.940882       9.569783  -32.65619      102.1452 
1 1 1 -3  -17 6  o 251.9271 59.26644 23.76921       9.501295  11.94843       8.756311  77.80594       106.3425 
1 1 1 -3  -17 7  o 210.5561 66.32110 5.178778       12.31929  17.43073       8.220303  -63.77361      105.3207 
1 1 1 -3  -17 8  o 210.5267 65.07700 17.42899       12.41018  12.04197       7.820867  17.31343       111.1388 
1 1 1 -3  -17 9  o 132.1753 59.22974 6.943839       9.204706  -5.494406      11.12353  29.38405       94.26662 
1 1 1 -3  -17 10 o 135.6053 56.64943 9.401803       8.646291  0.8154836      7.405014  39.05804       90.78153 
1 1 1 -3  -17 11 o 118.9085 56.76333 -12.46561      12.31516  5.033422       11.16935  -30.42939      92.04262 
1 1 1 -3  -17 12 o 127.3684 59.51783 1.682254       12.52135  0.4718233      10.93814  6.279144       93.79398 
1 1 1 -3  -17 13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -16 1  o 331.1588 45.76788 29.48598       9.708259  22.66144       8.679459  43.80521       95.00807 
1 1 1 -3  -16 2  o 285.9274 57.62153 11.87429       9.674322  28.58953       10.07089  -114.2734      105.8312 
1 1 1 -3  -16 3  o 104.6266 51.38934 -21.31551      9.909512  -1.240510      14.31724  -76.75333      99.53850 
1 1 1 -3  -16 4  o 212.5589 65.29604 10.00257       9.183802  13.22728       9.714766  -20.81841      110.0319 
1 1 1 -3  -16 5  o 129.1377 57.49615 5.345406       8.866665  -8.252299      9.782043  43.08324       95.23951 
1 1 1 -3  -16 6  o 134.3952 56.90826 6.909991       8.965011  -1.683044      7.601791  46.89905       94.41536 
1 1 1 -3  -16 7  o 396.5685 39.55669 54.57697       12.07698  29.95777       8.209003  112.8797       85.13715 
1 1 1 -3  -16 8  o 158.3593 61.87776 -2.163223      10.48857  11.00543       7.730981  -48.23560      96.76165 
1 1 1 -3  -16 9  o 141.8627 63.05534 2.161839       7.867476  0.000000       0.000000  ?              ?        
1 1 1 -3  -16 10 o 116.0241 52.04141 1.313964       7.952586  -0.5586980     7.585335  8.788795       84.85124 
1 1 1 -3  -16 11 o 126.5050 54.54379 1.226151       7.650582  4.564633       7.919322  -14.16476      87.17519 
1 1 1 -3  -16 12 o 94.32259 46.11507 -13.24147      10.87630  -4.489080      7.791164  0.6626282      78.05459 
1 1 1 -3  -16 13 o 116.1721 53.12673 0.7183985      11.21567  0.5659088      7.206791  14.89670       86.62059 
1 1 1 -3  -16 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -15 1  o 185.7732 65.67390 11.22240       8.209285  1.080695       11.48409  36.94574       106.6375 
1 1 1 -3  -15 2  o 115.4662 52.78915 -1.880564      8.528837  -4.372304      8.388896  10.28458       89.82660 
1 1 1 -3  -15 3  o 457.5810 35.18970 50.67258       10.12620  44.52093       9.710512  30.24753       72.39165 
1 1 1 -3  -15 4  o 91.89079 44.87174 -11.26128      7.871115  -9.061896      9.067560  -17.01992      80.60739 
1 1 1 -3  -15 5  o 494.1999 32.21140 47.62394       9.063237  66.30462       10.80735  -81.50989      65.98473 
1 1 1 -3  -15 6  o 148.6991 61.42895 -3.046330      11.02643  6.099704       8.064452  -20.10878      100.1142 
1 1 1 -3  -15 7  o 203.0325 62.98243 18.64143       11.01963  7.229124       7.484114  72.90187       108.6802 
1 1 1 -3  -15 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -15 9  o 179.9558 65.75967 7.795146       8.288207  11.81069       11.68053  -22.80301      107.7013 
1 1 1 -3  -15 10 o 115.3260 51.96886 2.644860       7.959820  -3.343617      7.729488  23.41005       85.79508 
1 1 1 -3  -15 11 o 144.4652 57.63984 0.2843060      7.636538  10.34448       7.937030  -49.44724      92.01099 
1 1 1 -3  -15 12 o 125.7388 53.82495 1.147922       7.451401  4.511448       7.500335  -14.10831      86.13902 
1 1 1 -3  -15 13 o 278.6012 60.67997 23.73749       7.204872  0.000000       0.000000  ?              ?        
1 1 1 -3  -15 14 o 153.1266 56.21140 21.48573       7.236922  -5.245325      6.779626  151.6481       81.48805 
1 1 1 -3  -14 1  o 115.5932 51.69008 -5.921803      7.698112  2.138184       7.495948  -32.13496      87.41990 
1 1 1 -3  -14 2  o 916.3798 22.42842 184.7494       12.57641  187.6070       12.92978  -6.582397      45.20562 
1 1 1 -3  -14 3  o 182.7498 60.64269 14.26837       8.049574  1.404303       7.992256  82.56558       97.48729 
1 1 1 -3  -14 4  o 117.4610 53.15280 0.7620630      7.934126  -6.411907      8.731541  20.16641       89.89752 
1 1 1 -3  -14 5  o 101.6473 48.85281 -7.583046      8.933022  -9.559062      9.057752  4.320496       85.88261 
1 1 1 -3  -14 6  o 345.6138 62.23858 39.13718       14.43474  22.96467       11.69796  88.92145       122.9118 
1 1 1 -3  -14 7  o 144.6657 61.61852 9.708282       9.288250  -8.290349      10.19551  67.03992       100.1660 
1 1 1 -3  -14 8  o 180.4419 76.15292 0.000000       0.000000  5.279479       10.32592  ?              ?        
1 1 1 -3  -14 9  o 591.9233 34.08382 80.73788       10.83309  82.80882       15.14983  18.59625       75.87092 
1 1 1 -3  -14 10 o 141.8104 61.36337 -0.5663310     8.668543  8.373611       11.93555  -45.20609      102.1357 
1 1 1 -3  -14 11 o 291.2975 82.33278 0.000000       0.000000  28.70750       10.98420  ?              ?        
1 1 1 -3  -14 12 o 191.4793 64.40689 6.816605       8.273022  18.03672       10.07694  -58.29645      105.3299 
1 1 1 -3  -14 13 o 107.7587 49.81643 1.191526       7.895374  -3.594092      7.763242  15.87831       81.85118 
1 1 1 -3  -14 14 o 90.61467 44.12935 -4.826108      7.944230  -8.262520      8.009167  7.509087       74.91383 
1 1 1 -3  -14 15 o 162.1185 57.92728 11.88764       7.827013  5.625551       6.977754  33.69659       92.69277 
1 1 1 -3  -13 1  o 709.8081 21.92280 113.2432       9.597207  109.7664       9.685857  11.36444       44.12079 
1 1 1 -3  -13 2  f 500.3224 28.32690 53.71295       8.715242  57.99402       8.796586  -19.65344      57.44535 
1 1 1 -3  -13 3  o 257.8496 52.32957 15.86653       7.974730  15.75926       8.197323  1.066650       99.49650 
1 1 1 -3  -13 4  o 787.3521 32.76997 139.3324       11.29265  0.000000       0.000000  ?              ?        
1 1 1 -3  -13 5  f 581.2937 31.33850 98.12167       11.01008  51.71548       11.52458  191.4049       69.28005 
1 1 1 -3  -13 6  o 545.2652 29.75021 81.20911       10.48356  54.26997       9.621018  112.1807       60.93126 
1 1 1 -3  -13 7  o 614.7137 28.44350 84.45300       10.93226  84.76723       10.70465  -1.737244      57.69159 
1 1 1 -3  -13 8  o 371.5821 45.92314 27.21656       11.92617  35.82738       9.283727  -68.98532      102.0598 
1 1 1 -3  -13 9  f 208.3236 62.74268 10.47970       8.582381  12.08652       8.976048  -10.82980      106.2307 
1 1 1 -3  -13 10 o 144.9346 61.00142 0.8761263      8.261408  6.194834       10.95907  -35.43901      101.3393 
1 1 1 -3  -13 11 o 228.2809 63.11768 13.65502       8.541808  16.44737       10.13595  -13.28262      109.6957 
1 1 1 -3  -13 12 o 179.3370 60.55651 12.83423       7.848340  4.990206       8.147472  46.10683       97.85139 
1 1 1 -3  -13 13 o 122.5927 53.69790 4.493193       7.713072  -1.676326      7.876666  23.27963       86.98910 
1 1 1 -3  -13 14 o 98.86171 46.54507 -0.6065155     7.574562  -4.698555      7.157751  15.14201       77.69535 
1 1 1 -3  -13 15 o 236.0189 49.54824 15.53557       6.924653  15.80702       7.125185  -0.2407837     95.13061 
1 1 1 -3  -13 16 o 176.3137 54.64821 17.39807       6.792543  2.736900       6.410757  97.68776       86.35195 
1 1 1 -3  -12 1  o 161.4277 57.33239 2.912075       7.243939  8.123812       7.166614  -33.11145      94.05005 
1 1 1 -3  -12 2  o 459.8405 43.40253 0.000000       0.000000  48.31662       8.650776  ?              ?        
1 1 1 -3  -12 3  o 665.1489 22.77063 90.71825       8.960790  106.7545       9.867487  -53.94421      45.83962 
1 1 1 -3  -12 4  o 566.0111 35.95728 72.09944       8.881003  0.000000       0.000000  ?              ?        
1 1 1 -3  -12 5  o 634.2480 34.15110 90.51380       9.465870  0.000000       0.000000  ?              ?        
1 1 1 -3  -12 6  f 372.6025 33.10141 24.95737       7.528857  38.02571       7.614441  -82.98523      70.18702 
1 1 1 -3  -12 7  o 340.4973 38.50053 33.83511       8.209052  19.88409       7.786673  95.63324       81.44350 
1 1 1 -3  -12 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -12 9  o 487.9636 27.81713 54.18609       8.109671  52.84340       8.690853  8.195526       56.87033 
1 1 1 -3  -12 10 o 100.3733 46.17035 -5.689879      6.282793  1.027750       6.982852  -34.01305      79.49174 
1 1 1 -3  -12 11 o 157.9364 53.41128 5.108624       5.999332  7.281382       6.463941  -17.14624      88.34406 
1 1 1 -3  -12 12 o 176.0380 53.60506 9.507257       6.307204  7.018582       6.453199  18.37048       90.06800 
1 1 1 -3  -12 13 o 102.1293 45.61128 4.637886       5.860326  -5.648302      5.927742  46.55981       75.89826 
1 1 1 -3  -12 14 o 103.9915 44.84555 4.505485       5.218351  -2.859711      5.307313  37.97135       73.31696 
1 1 1 -3  -12 15 o 110.1451 46.40541 2.595631       5.379127  1.120739       5.436615  7.457596       75.11126 
1 1 1 -3  -12 16 o 223.2462 47.69245 15.50544       6.463654  12.45420       6.346048  24.51450       90.56529 
1 1 1 -3  -12 17 o 154.3515 53.26827 13.95793       6.580102  2.041319       5.864850  76.30726       84.75467 
1 1 1 -3  -11 1  o 705.8551 29.30861 110.3219       12.53019  115.0288       13.09882  -13.55505      59.69698 
1 1 1 -3  -11 2  o 517.8722 32.49681 63.35289       10.27052  57.70425       10.50727  26.24509       66.62666 
1 1 1 -3  -11 3  o 469.7764 26.77365 46.21959       7.696277  52.32131       7.845593  -29.76468      54.32566 
1 1 1 -3  -11 4  o 164.9059 55.79729 6.998105       6.242357  4.405035       7.503868  10.22775       92.74597 
1 1 1 -3  -11 5  o 225.7745 44.54086 9.373818       5.878015  14.69753       6.165022  -47.94946      84.24117 
1 1 1 -3  -11 6  o 297.3571 34.68164 21.78581       6.118055  18.18528       6.449665  29.85239       72.60853 
1 1 1 -3  -11 7  o 342.0966 31.63146 28.30826       6.552110  24.45818       6.724256  27.20520       65.68764 
1 1 1 -3  -11 8  o 555.5677 23.31791 74.71352       7.939739  62.12855       8.099011  52.56207       47.37653 
1 1 1 -3  -11 9  o 677.1192 20.99129 93.69350       8.366296  111.4864       9.324042  -58.53552      42.27300 
1 1 1 -3  -11 10 o 237.2281 41.14076 14.61752       5.494485  11.51943       6.247396  30.37291       81.88628 
1 1 1 -3  -11 11 o 130.3490 48.94958 1.304170       5.006380  6.088795       5.807153  -39.24051      80.68628 
1 1 1 -3  -11 12 f 334.3579 28.58638 29.75038       5.692113  20.99425       6.070651  65.18347       61.86967 
1 1 1 -3  -11 13 f 108.3558 44.47740 2.269640       4.583084  0.9218014      5.017315  4.815384       72.76966 
1 1 1 -3  -11 14 o 234.7236 36.16924 10.53169       4.797596  17.16731       5.461644  -58.98256      74.09417 
1 1 1 -3  -11 15 o 129.2086 46.97010 5.728397       4.781047  2.459959       4.959552  22.84547       76.02543 
1 1 1 -3  -11 16 o 109.2036 45.04044 7.643854       5.040054  -3.071208      4.842282  66.00429       72.34142 
1 1 1 -3  -11 17 o 113.3589 46.11503 2.753443       5.063193  2.685788       5.112707  0.1434555      74.12069 
1 1 1 -3  -11 18 o 88.51902 42.23363 -2.157543      5.134635  -7.516529      9.994275  -16.74305      72.86082 
1 1 1 -3  -10 1  o 116.9006 53.54256 -10.72408      8.751353  4.968143       8.756398  -55.65714      91.12073 
1 1 1 -3  -10 2  o 115.8114 51.81950 -4.928533      6.684771  5.539520       9.191975  -64.22148      90.81268 
1 1 1 -3  -10 3  f 329.7541 52.42179 26.68435       9.879934  25.52279       10.92823  12.60330       107.5804 
1 1 1 -3  -10 4  o 918.3674 28.12263 187.9130       15.45199  188.2610       16.61546  1.398560       56.95474 
1 1 1 -3  -10 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -10 6  o 300.9986 29.87398 18.48114       5.682913  21.98239       5.341736  -28.48196      62.35964 
1 1 1 -3  -10 7  o 467.1052 22.24091 50.72105       6.458067  46.11219       6.394215  22.62741       44.91523 
1 1 1 -3  -10 8  o 472.6655 23.26085 45.38929       6.653050  54.37645       6.955491  -43.24118      47.07321 
1 1 1 -3  -10 9  o 254.8149 41.66911 16.26842       6.436223  13.92097       6.284631  20.20950       83.48705 
1 1 1 -3  -10 10 o 384.8339 34.02876 34.69041       7.168394  31.65729       9.332659  26.42194       74.61019 
1 1 1 -3  -10 11 o 399.2494 26.09392 35.96037       6.559912  35.68047       6.301993  0.8222351      53.24277 
1 1 1 -3  -10 12 o 297.0020 29.55726 23.72119       5.441101  16.83257       5.308011  54.69482       62.43479 
1 1 1 -3  -10 13 o 155.6763 45.89272 5.356163       4.553335  6.847693       4.935341  -14.45647      78.28936 
1 1 1 -3  -10 14 o 106.9133 43.99028 0.8011736      4.538267  2.491900       4.870799  -13.38851      72.15407 
1 1 1 -3  -10 15 o 205.6741 40.29309 8.314221       4.891041  13.14645       5.025265  -46.89061      77.22592 
1 1 1 -3  -10 16 o 165.3658 46.64039 4.139300       4.889347  11.09243       5.097973  -59.90320      78.15811 
1 1 1 -3  -10 17 o 94.07635 41.71566 0.3288197      4.780816  -0.1687638     4.903086  1.459351       68.62468 
1 1 1 -3  -10 18 o 230.8497 37.59181 11.85956       4.992651  16.01748       5.431244  -35.18880      77.87636 
1 1 1 -3  -9  1  o 214.9714 43.98966 15.70412       5.703241  6.478952       5.633870  83.66646       80.26543 
1 1 1 -3  -9  2  o 297.5020 34.39371 19.93729       6.259990  20.87261       6.201406  -7.809021      72.03822 
1 1 1 -3  -9  3  o 467.8010 32.68851 53.79457       9.974080  46.93089       8.959494  30.08261       67.42138 
1 1 1 -3  -9  4  o 289.1038 51.36737 22.43969       9.489408  18.49536       8.365577  25.28134       102.2474 
1 1 1 -3  -9  5  o 369.3509 40.15325 34.79007       9.414418  28.18170       8.728214  40.01349       83.77966 
1 1 1 -3  -9  6  o 295.5153 45.58636 21.27594       7.868477  18.98808       8.327369  18.76453       92.64281 
1 1 1 -3  -9  7  o 460.9015 25.95361 56.14781       8.713786  42.21379       6.530426  64.84167       53.08005 
1 1 1 -3  -9  8  o 448.8787 22.19734 42.99421       6.208694  46.34990       6.115658  -17.39899      44.87619 
1 1 1 -3  -9  9  o 550.9117 21.42116 66.74323       7.761665  67.77110       6.923136  -5.749268      43.51957 
1 1 1 -3  -9  10 o 282.3665 47.12938 18.66583       5.631613  0.000000       0.000000  ?              ?        
1 1 1 -3  -9  11 o 132.8464 48.15374 6.239074       5.121082  0.8168524      5.101619  41.07322       78.54670 
1 1 1 -3  -9  12 o 316.6907 31.11468 20.68801       5.619142  25.83127       6.555872  -34.24179      64.69658 
1 1 1 -3  -9  13 o 140.5354 48.86570 2.565350       4.823422  7.257049       5.720059  -40.94672      80.94243 
1 1 1 -3  -9  14 o 217.0104 41.43076 9.167769       4.860329  15.38827       6.094437  -53.06143      80.63478 
1 1 1 -3  -9  15 o 113.5597 46.76505 2.050931       4.988602  1.722375       5.709625  -3.378181      76.49516 
1 1 1 -3  -9  16 o 250.3049 41.65769 13.73810       5.661179  19.32132       7.045269  -36.19966      86.09113 
1 1 1 -3  -9  17 o 104.5951 46.81943 -0.7292660E-01 6.066845  0.4795882      6.446530  -4.706978      76.54106 
1 1 1 -3  -9  18 o 206.3425 44.00625 11.29736       5.440344  11.88385       5.481371  -5.042908      83.71341 
1 1 1 -3  -9  19 o 104.7703 43.06995 0.6587017      4.558876  3.521330       4.435768  -16.68087      69.30298 
1 1 1 -3  -8  1  o 335.6085 25.38985 28.86633       5.314282  21.63220       5.181389  50.00009       52.25335 
1 1 1 -3  -8  2  o 862.8854 17.99086 164.8052       9.719173  164.4838       9.543029  0.5784912      36.19283 
1 1 1 -3  -8  3  o 537.7888 20.36328 63.85913       6.850880  64.82729       6.713119  -4.469727      41.12559 
1 1 1 -3  -8  4  o 301.2391 32.42963 25.92630       6.202463  16.45656       5.752176  72.56512       68.46323 
1 1 1 -3  -8  5  f 193.8255 60.56486 7.576644       8.511596  10.66622       7.708827  -18.16008      101.4754 
1 1 1 -3  -8  6  o 492.7701 29.73134 56.31226       8.758546  52.21992       9.363453  20.80042       60.84540 
1 1 1 -3  -8  7  o 470.9673 20.28766 54.75440       6.197585  44.28342       5.664603  50.21271       40.85531 
1 1 1 -3  -8  8  o 901.5637 25.62953 174.7182       14.11117  186.1052       14.53627  -28.39545      51.60212 
1 1 1 -3  -8  9  o 512.4716 34.40584 0.000000       0.000000  59.13293       7.689170  ?              ?        
1 1 1 -3  -8  10 o 352.1275 28.94544 25.91515       5.047520  34.38066       9.254957  -41.61935      66.98952 
1 1 1 -3  -8  11 o 102.7846 42.72554 -1.553019      4.474994  3.003703       4.508789  -30.86371      70.85654 
1 1 1 -3  -8  12 o 395.0940 22.52865 33.95007       5.478983  35.64452       5.518324  -9.834534      45.65633 
1 1 1 -3  -8  13 o 88.52399 39.88241 -2.668288      4.411298  0.3396720      4.851412  -21.24647      68.06591 
1 1 1 -3  -8  14 o 250.0267 34.13086 12.54006       4.896133  17.31233       5.461067  -41.35544      70.93293 
1 1 1 -3  -8  15 f 437.3249 23.71806 45.15922       6.195366  41.70515       6.649045  20.99011       48.97792 
1 1 1 -3  -8  16 o 186.9265 45.94151 12.49507       5.154426  5.343218       5.433932  64.22821       79.75671 
1 1 1 -3  -8  17 o 225.5773 40.79324 13.57103       5.185249  12.35035       5.875515  17.37775       81.86594 
1 1 1 -3  -8  18 o 131.3049 47.07779 3.451935       4.657874  5.891495       5.112828  -18.98548      76.58722 
1 1 1 -3  -8  19 o 123.0193 45.77267 3.352386       4.360189  4.836908       5.049497  -12.47084      74.12112 
1 1 1 -3  -8  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -7  1  o 765.0752 16.36487 130.3712       7.887627  127.4713       7.651044  8.464417       32.85352 
1 1 1 -3  -7  2  o 121.0084 45.74578 4.187427       4.794479  0.9468728      4.612541  26.30381       75.34554 
1 1 1 -3  -7  3  o 616.2278 17.89031 82.81183       6.972835  85.06734       6.698404  -8.818420      36.02695 
1 1 1 -3  -7  4  o 1141.168 28.64651 293.0150       14.32779  0.000000       0.000000  ?              ?        
1 1 1 -3  -7  5  o 210.3459 54.97491 11.08972       5.127789  0.000000       0.000000  ?              ?        
1 1 1 -3  -7  6  o 465.9253 19.50032 45.89436       5.487341  50.79937       5.770506  -23.61090      39.35032 
1 1 1 -3  -7  7  o 169.8420 58.50422 3.128192       6.993330  10.58649       8.053357  -54.69498      96.74312 
1 1 1 -3  -7  8  o 650.3256 25.96142 94.18591       10.58644  93.53913       10.32267  1.894104       52.36204 
1 1 1 -3  -7  9  o 204.5583 51.88554 0.000000       0.000000  9.934745       4.661778  ?              ?        
1 1 1 -3  -7  10 o 366.1459 26.22447 27.97830       5.651457  32.34541       6.223565  -26.31836      53.39768 
1 1 1 -3  -7  11 o 374.4178 27.20368 33.36555       6.294644  29.41011       6.255945  24.54660       55.57305 
1 1 1 -3  -7  12 o 375.4420 36.14931 32.02386       5.879608  0.000000       0.000000  ?              ?        
1 1 1 -3  -7  13 o 319.2514 28.80038 26.54378       5.511772  19.21769       5.782593  55.70422       61.19706 
1 1 1 -3  -7  14 o 239.6852 35.66706 10.39904       4.802156  17.57326       5.565251  -64.46356      72.52532 
1 1 1 -3  -7  15 o 176.9577 44.71677 9.323939       4.693005  6.043560       5.159784  30.72568       78.85012 
1 1 1 -3  -7  16 o 276.8188 28.86551 16.14172       4.670848  20.13253       5.129144  -30.96371      61.05692 
1 1 1 -3  -7  17 o 136.2067 44.43304 5.590540       4.254221  3.861910       4.374060  14.61206       73.59675 
1 1 1 -3  -7  18 o 138.9229 44.81744 7.233085       4.450445  3.241473       4.341256  34.23242       73.73479 
1 1 1 -3  -7  19 o 86.96365 38.93111 -2.083378      4.246039  1.700734       4.400529  -21.01606      64.60773 
1 1 1 -3  -7  20 o 78.48525 36.52507 -4.884477      4.206584  2.195515       4.433792  -34.09016      62.16467 
1 1 1 -3  -6  1  o 176.1949 36.46598 5.641126       3.947317  8.548319       3.767364  -32.42751      67.95238 
1 1 1 -3  -6  2  o 110.6501 41.08616 0.9826913      3.834710  3.233797       3.683246  -17.87540      67.65327 
1 1 1 -3  -6  3  o 226.0187 29.69732 11.80663       4.223279  11.34203       3.919776  3.928940       61.15339 
1 1 1 -3  -6  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -6  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -6  6  o 317.0935 32.32911 23.04132       4.433747  0.000000       0.000000  ?              ?        
1 1 1 -3  -6  7  o 273.6180 22.72884 17.26575       3.599344  16.10770       4.094275  11.52206       47.26747 
1 1 1 -3  -6  8  f 345.9556 19.55766 26.27235       4.102778  26.77324       4.261853  -3.068329      39.51220 
1 1 1 -3  -6  9  o 461.4525 22.53708 45.02934       8.422528  48.05290       5.403317  -20.11411      51.20018 
1 1 1 -3  -6  10 o 823.0836 25.27382 167.9713       13.62757  136.0952       12.25867  86.52106       50.91704 
1 1 1 -3  -6  11 o 887.1020 18.48800 180.8378       10.04278  166.4845       10.30992  37.46350       37.25785 
1 1 1 -3  -6  12 o 129.0142 49.81483 4.935342       5.470192  0.1169456      5.852571  28.51483       81.52602 
1 1 1 -3  -6  13 o 303.3771 33.32145 17.54334       5.873944  25.11263       6.510460  -56.54782      69.37244 
1 1 1 -3  -6  14 o 141.6595 43.31870 4.991852       4.076910  4.429636       4.248266  4.481583       73.27833 
1 1 1 -3  -6  15 o 167.2729 41.90661 2.974380       3.939670  12.83667       4.890552  -98.55505      70.71944 
1 1 1 -3  -6  16 f 484.7898 21.60271 54.63576       5.960422  50.80697       7.164886  24.01517       45.24960 
1 1 1 -3  -6  17 o 282.1489 29.58148 17.63790       4.951815  19.96306       5.263543  -17.27515      62.75532 
1 1 1 -3  -6  18 o 88.45999 38.61798 0.5932398      3.827514  -0.2996687     4.201636  1.486786       63.82133 
1 1 1 -3  -6  19 o 164.2656 44.35371 13.24768       4.557148  1.259188       4.694898  104.8577       69.52799 
1 1 1 -3  -6  20 o 116.8656 44.25233 4.583312       4.151969  2.086112       4.706296  15.13911       70.92284 
1 1 1 -3  -6  21 o 166.8090 42.51199 8.103893       4.303459  7.553981       4.527341  6.582138       75.58227 
1 1 1 -3  -5  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -5  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -5  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -5  4  o 302.3915 19.37783 21.27695       3.814746  19.44044       3.444981  13.34491       39.26474 
1 1 1 -3  -5  5  o 294.8537 20.79386 17.97992       3.747579  20.78479       3.810987  -21.94904      42.32773 
1 1 1 -3  -5  6  o 135.1170 40.35980 2.100192       3.613366  6.536652       3.669607  -46.11020      67.05064 
1 1 1 -3  -5  7  o 310.3495 21.48562 21.97105       3.980242  21.05989       4.255105  7.706604       43.94462 
1 1 1 -3  -5  8  o 699.5313 15.77247 97.05863       6.330650  123.3055       7.507184  -83.63757      31.73890 
1 1 1 -3  -5  9  f 846.3787 24.20927 0.000000       0.000000  158.7708       8.978447  ?              ?        
1 1 1 -3  -5  10 o 526.9622 16.81009 57.69012       5.403347  65.00773       5.576648  -31.61322      33.77187 
1 1 1 -3  -5  11 o 372.6941 34.82941 36.97704       8.242971  26.55559       7.702400  64.30215       72.42635 
1 1 1 -3  -5  12 o 362.2357 38.52622 24.36082       8.646044  35.36075       8.407534  -73.64532      82.25034 
1 1 1 -3  -5  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -5  14 o 216.6538 34.71479 11.13974       4.380635  10.57607       4.647170  6.662338       70.00430 
1 1 1 -3  -5  15 o 265.0294 29.23826 18.62901       4.676274  13.40774       4.779553  47.61018       61.99125 
1 1 1 -3  -5  16 o 103.4507 40.56103 0.2461787      3.616694  3.617123       3.996399  -30.24576      66.75029 
1 1 1 -3  -5  17 o 322.0821 23.35765 21.45555       4.375999  26.69801       4.946235  -34.57721      48.24835 
1 1 1 -3  -5  18 o 311.2198 24.04332 22.63268       4.425510  22.01029       4.809954  7.631439       50.29953 
1 1 1 -3  -5  19 o 262.8114 29.13776 18.12607       4.329031  14.48008       5.108130  43.00197       65.11962 
1 1 1 -3  -5  20 o 89.21719 41.88384 -1.454864      9.902928  -2.376142      4.583851  35.81622       75.56105 
1 1 1 -3  -5  21 o 116.8723 44.60283 2.669608       4.412513  4.488711       4.581964  -13.01607      71.63809 
1 1 1 -3  -4  1  o 632.6407 11.98010 85.95089       4.631876  89.97852       4.774301  -14.46729      24.00841 
1 1 1 -3  -4  2  o 419.8924 11.74343 38.03386       3.039353  39.48682       3.072485  -7.889587      23.53717 
1 1 1 -3  -4  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -4  4  o 345.8742 20.39955 26.47805       3.081109  0.000000       0.000000  ?              ?        
1 1 1 -3  -4  5  o 401.0518 20.99960 0.000000       0.000000  35.65841       3.681265  ?              ?        
1 1 1 -3  -4  6  o 168.3487 30.07313 4.206518       3.006624  8.937975       3.044297  -59.25516      57.46827 
1 1 1 -3  -4  7  o 424.0949 15.73450 42.54921       4.175405  37.21351       4.090259  28.73203       31.71892 
1 1 1 -3  -4  8  o 479.4167 15.21381 50.11186       4.413277  51.61465       4.632141  -6.799377      30.61399 
1 1 1 -3  -4  9  o 244.8638 20.80164 13.03919       3.037034  13.72383       3.231549  -6.013138      42.48879 
1 1 1 -3  -4  10 o 585.2729 14.72557 74.07845       5.238232  76.89153       5.452137  -10.80042      29.54177 
1 1 1 -3  -4  11 o 671.7471 15.38215 96.25353       6.191875  102.9495       6.652310  -22.34357      30.90647 
1 1 1 -3  -4  12 o 459.5985 16.30979 47.50382       4.575563  45.73859       4.712515  9.002533       32.82885 
1 1 1 -3  -4  13 o 451.5461 31.65525 44.66062       8.521177  47.26266       9.131608  -11.77225      64.72720 
1 1 1 -3  -4  14 o 509.0988 29.89034 51.52982       9.028601  66.13953       9.816736  -64.39865      60.92260 
1 1 1 -3  -4  15 o 537.5601 19.78358 66.91195       6.070526  60.50415       7.259317  30.44513       41.06983 
1 1 1 -3  -4  16 o 480.5138 22.30582 52.74030       6.589800  51.01810       6.672196  8.616089       45.34113 
1 1 1 -3  -4  17 o 145.1758 54.74747 0.000000       0.000000  4.892723       4.754242  ?              ?        
1 1 1 -3  -4  18 o 302.2163 24.06700 23.52254       4.563581  18.72997       4.390672  36.44928       50.24390 
1 1 1 -3  -4  19 o 75.85426 35.23417 -2.412670      3.797782  -0.8211539     4.206949  -12.25010      59.96996 
1 1 1 -3  -4  20 o 100.5678 40.93714 5.265685       4.085278  -1.296788      3.943218  45.77016       66.00760 
1 1 1 -3  -4  21 o 120.3452 42.99892 5.390687       4.118343  2.574358       4.001275  22.54954       69.51699 
1 1 1 -3  -4  22 o 128.6404 44.22257 4.483254       4.028577  5.204438       4.550982  -5.901413      72.02139 
1 1 1 -3  -3  1  o 316.4683 10.31139 21.69538       2.020202  22.32864       2.022892  -4.574951      20.67504 
1 1 1 -3  -3  2  o 684.1158 12.15871 104.1724       5.205967  101.4641       5.114849  8.996338       24.36272 
1 1 1 -3  -3  3  o 821.3462 13.90354 150.7663       7.165797  145.8499       7.004609  13.58240       27.83578 
1 1 1 -3  -3  4  o 666.7915 12.56172 99.32819       5.228310  96.10241       5.163956  11.01349       25.17907 
1 1 1 -3  -3  5  o 968.1838 16.03580 209.3638       9.733515  203.5282       9.531376  13.60748       32.13511 
1 1 1 -3  -3  6  o 331.7817 14.05344 25.54574       2.941728  23.12177       2.832949  16.60568       28.26332 
1 1 1 -3  -3  7  o 155.3945 27.31946 5.167368       2.626365  5.912863       2.456833  -10.67241      53.75163 
1 1 1 -3  -3  8  o 380.5414 20.30669 0.000000       0.000000  32.30062       3.377279  ?              ?        
1 1 1 -3  -3  9  o 384.4092 14.21339 32.64614       3.296983  32.61020       3.477092  0.4962158      28.61948 
1 1 1 -3  -3  10 f 268.8599 17.04909 17.89906       2.910729  14.29755       2.753405  30.62231       34.53282 
1 1 1 -3  -3  11 o 440.1608 16.33963 45.40909       3.868055  37.46697       5.423616  44.02618       36.14741 
1 1 1 -3  -3  12 o 602.2949 14.14533 79.87911       5.265287  79.85243       5.304780  0.1412354      28.40197 
1 1 1 -3  -3  13 o 79.85309 33.65543 -0.8312498     2.735907  1.453637       2.970583  -22.40455      56.41908 
1 1 1 -3  -3  14 f 117.0848 39.34428 2.160152       3.283190  3.817947       3.473784  -18.41801      65.45726 
1 1 1 -3  -3  15 f 187.2163 52.62035 9.647694       5.986056  7.151742       6.822875  17.80386       90.58028 
1 1 1 -3  -3  16 o 382.3177 32.52209 29.33054       7.345948  38.67359       7.971962  -54.75006      67.85915 
1 1 1 -3  -3  17 o 165.6723 42.53747 8.350509       4.428887  5.391929       4.359490  29.52467       74.83936 
1 1 1 -3  -3  18 o 329.1410 26.53384 22.14248       5.457205  28.05160       5.289929  -44.49234      56.47362 
1 1 1 -3  -3  19 o 145.6794 50.48905 0.000000       0.000000  5.711297       3.934958  ?              ?        
1 1 1 -3  -3  20 o 184.1155 36.97858 9.026912       4.009004  8.456512       4.147627  7.292572       71.49579 
1 1 1 -3  -3  21 o 195.6332 36.26843 13.01718       4.318892  7.049944       4.164023  61.65323       70.29984 
1 1 1 -3  -3  22 o 84.01472 37.30777 0.8483390      3.740622  -0.5834057     4.049170  5.085014       61.03709 
1 1 1 -3  -2  1  o 202.1284 11.56629 8.915174       1.432428  9.090951       1.456223  -1.969315      23.29350 
1 1 1 -3  -2  2  f 406.3842 9.911496 35.45375       2.461202  37.10730       2.537703  -9.255676      19.87517 
1 1 1 -3  -2  3  o 907.5361 14.77637 182.9008       8.394364  179.2215       8.244765  9.181030       29.58595 
1 1 1 -3  -2  4  o 1403.701 21.65345 437.8683       19.01941  430.9972       18.69406  10.93652       43.42137 
1 1 1 -3  -2  5  o 412.3691 11.48274 35.13317       2.872924  39.84740       3.000080  -26.02393      23.02222 
1 1 1 -3  -2  6  o 187.8604 21.77778 6.057724       2.897916  8.989766       2.218011  -38.87778      48.49612 
1 1 1 -3  -2  7  o 402.7406 12.93547 36.41763       3.239756  35.11981       3.215292  7.348846       25.97743 
1 1 1 -3  -2  8  o 189.1018 22.70812 8.639293       2.602610  7.529624       2.618507  13.93387       47.05188 
1 1 1 -3  -2  9  o 511.2391 13.46996 55.82729       4.167362  59.77229       4.376378  -17.32880      27.05767 
1 1 1 -3  -2  10 o 541.1931 13.45498 63.77129       4.440771  65.25247       4.597326  -6.091980      27.02951 
1 1 1 -3  -2  11 o 219.3254 28.63570 10.86370       2.689124  0.000000       0.000000  ?              ?        
1 1 1 -3  -2  12 f 616.9392 13.93138 85.71320       5.385665  81.88860       5.279018  14.07935       27.96169 
1 1 1 -3  -2  13 o 677.9221 14.50127 108.1730       6.280327  95.11731       5.931061  43.60699       29.11995 
1 1 1 -3  -2  14 o 627.7971 14.73334 88.93360       5.753159  84.79224       5.722338  15.06458       29.60068 
1 1 1 -3  -2  15 o 125.7818 45.54737 3.148757       3.232537  0.000000       0.000000  ?              ?        
1 1 1 -3  -2  16 o 322.2615 26.30990 26.33291       5.288428  20.79045       5.142166  39.90854       54.44144 
1 1 1 -3  -2  17 o 335.9452 27.79337 28.69144       5.749226  23.05014       5.731179  39.83170       58.14444 
1 1 1 -3  -2  18 o 140.1220 42.76257 5.010736       3.262125  4.759565       6.022337  -6.919128      75.44416 
1 1 1 -3  -2  19 o 67.45122 32.20197 -2.657057      3.789661  -3.256435      3.745305  3.169121       55.81166 
1 1 1 -3  -2  20 o 332.3835 25.12895 22.23087       4.942820  30.33100       5.369236  -54.17850      53.04774 
1 1 1 -3  -2  21 o 137.1024 42.11446 7.416147       3.864704  2.845858       3.990874  41.99953       69.15957 
1 1 1 -3  -2  22 o 103.6710 40.36580 2.015842       3.783623  3.114473       3.687492  -7.577553      64.89761 
1 1 1 -3  -2  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  -1  1  o 55.83217 21.66289 0.7453437      1.095524  0.1370688      1.051200  10.50015       35.88960 
1 1 1 -3  -1  2  o 1284.254 19.62917 358.6102       15.49846  367.7966       15.78047  -16.15820      39.33514 
1 1 1 -3  -1  3  o 958.0812 15.25955 200.8303       9.030441  202.7583       9.108094  -4.554688      30.55510 
1 1 1 -3  -1  4  o 878.6963 14.41400 167.4937       7.764541  172.0246       7.952196  -11.67517      28.86110 
1 1 1 -3  -1  5  o 384.8057 22.66465 0.000000       0.000000  32.78898       3.808590  ?              ?        
1 1 1 -3  -1  6  o 372.1345 11.86928 32.88600       2.784914  28.21364       2.690401  28.63031       23.83075 
1 1 1 -3  -1  7  o 403.1388 12.34129 37.86886       3.099938  33.77650       3.065585  23.20111       24.79494 
1 1 1 -3  -1  8  o 169.6229 21.99209 5.711323       2.173920  7.448692       2.356286  -23.19960      45.22094 
1 1 1 -3  -1  9  o 277.7174 15.62980 17.60135       2.598686  16.56072       2.773302  9.102692       31.75192 
1 1 1 -3  -1  10 o 314.5097 21.08245 0.000000       0.000000  22.04418       2.891618  ?              ?        
1 1 1 -3  -1  11 o 379.5668 19.29395 31.88839       3.201722  0.000000       0.000000  ?              ?        
1 1 1 -3  -1  12 o 201.7661 21.43126 11.21674       2.651892  7.010448       2.630929  49.17313       45.17915 
1 1 1 -3  -1  13 o 1050.826 17.83070 238.1242       11.42453  249.8823       11.83202  -25.09192      35.78351 
1 1 1 -3  -1  14 o 451.4410 14.16735 45.16707       3.939832  44.73920       3.985539  2.232391       28.45811 
1 1 1 -3  -1  15 o 214.1330 23.25917 9.630609       2.987247  11.01429       3.095588  -14.87396      47.99676 
1 1 1 -3  -1  16 o 580.2757 14.91860 78.10705       5.392488  70.83709       5.339118  28.62531       30.00682 
1 1 1 -3  -1  17 o 339.0125 17.32625 22.99812       3.615065  28.28115       3.648290  -35.95813      35.25463 
1 1 1 -3  -1  18 o 189.0696 38.82674 8.862935       4.410308  8.758870       4.392121  1.030579       73.98260 
1 1 1 -3  -1  19 f 185.2073 40.54055 8.651334       4.531561  8.981045       4.524624  -3.398438      75.96323 
1 1 1 -3  -1  20 f 461.7852 22.22766 48.14582       6.207182  50.30666       6.499985  -8.736481      45.84251 
1 1 1 -3  -1  21 o 70.25942 33.45445 -0.9612220     4.086994  -4.052127      3.939052  14.26639       57.28804 
1 1 1 -3  -1  22 o 185.5783 32.41911 5.066168       3.623785  12.49664       3.569378  -84.01028      62.15434 
1 1 1 -3  -1  23 o 97.51779 39.17613 1.905435       3.736164  2.376225       3.515053  -2.089813      62.85758 
1 1 1 -3  0   1  o 94.78223 18.20049 2.208618       1.031501  1.877906       1.030926  7.264565       34.78959 
1 1 1 -3  0   2  o 98.92165 20.28847 2.823544       1.230103  1.692675       1.177903  22.96542       37.69553 
1 1 1 -3  0   3  o 255.1378 10.90652 14.65937       1.731775  13.98746       1.712708  6.018112       21.90137 
1 1 1 -3  0   4  o 1304.596 20.02230 372.4948       16.13295  377.1494       16.27480  -8.056641      40.12713 
1 1 1 -3  0   5  o 495.7040 10.87951 54.86013       3.398542  53.12473       3.294676  7.939148       21.81369 
1 1 1 -3  0   6  o 555.8550 11.60224 68.77721       4.045869  67.05054       3.956717  7.038269       23.26393 
1 1 1 -3  0   7  o 288.2469 13.37900 18.83418       2.411744  17.83941       2.360507  7.852722       26.91420 
1 1 1 -3  0   8  o 204.5559 18.27360 9.409488       2.293800  9.266243       2.294898  1.644928       37.38931 
1 1 1 -3  0   9  o 328.7883 13.92430 25.40926       2.873088  22.50706       2.795486  20.12097       28.05926 
1 1 1 -3  0   10 o 261.0334 24.29527 0.000000       0.000000  15.34671       2.749819  ?              ?        
1 1 1 -3  0   11 o 174.5767 24.13950 7.221529       2.505004  6.529596       2.585447  9.441635       49.41760 
1 1 1 -3  0   12 o 485.0612 13.16188 53.56636       3.985212  50.06745       3.928721  16.44727       26.40287 
1 1 1 -3  0   13 o 326.1527 21.34843 23.63935       3.037346  0.000000       0.000000  ?              ?        
1 1 1 -3  0   14 o 249.3951 18.47745 16.71767       2.925582  11.26263       2.758296  50.40150       38.04676 
1 1 1 -3  0   15 o 256.0475 19.96174 13.03462       3.118465  16.21334       3.173286  -28.80547      40.87079 
1 1 1 -3  0   16 o 128.3898 35.23730 6.271793       2.964545  1.693533       2.822759  55.74694       58.80207 
1 1 1 -3  0   17 o 279.9921 18.60132 18.69128       3.213154  16.34253       3.211743  19.50964       37.92636 
1 1 1 -3  0   18 o 103.5945 36.25213 0.1445168      2.817764  4.731940       2.930898  -48.42122      58.30503 
1 1 1 -3  0   19 o 132.9348 44.12822 3.564059       4.210955  5.512059       4.283977  -17.02126      72.86165 
1 1 1 -3  0   20 o 126.8585 44.00811 2.448263       4.262774  5.737798       4.194787  -26.70260      71.61706 
1 1 1 -3  0   21 o 70.62657 32.69622 -1.849089      2.916373  -0.4726246E-01 4.207907  -23.92789      57.04768 
1 1 1 -3  0   22 o 119.6453 42.97784 5.649914       4.177044  2.349725       3.952943  26.44400       69.43422 
1 1 1 -3  0   23 o 252.6934 30.24256 16.27836       4.760806  16.11582       4.540079  -2.347717      66.96910 
1 1 1 -3  1   1  f 607.5197 10.45251 81.58681       3.964929  80.49860       3.913773  4.068115       20.91710 
1 1 1 -3  1   2  f 493.5869 9.718939 53.00811       2.956370  53.97105       2.995549  -4.437195      19.47408 
1 1 1 -3  1   3  o 325.5010 9.659291 23.38996       1.969180  23.17346       1.927873  1.494812       19.36098 
1 1 1 -3  1   4  o 608.1946 11.19099 83.16791       4.283274  79.39944       4.163455  14.08954       22.42356 
1 1 1 -3  1   5  o 403.2350 10.54615 37.43946       2.718225  34.21445       2.560256  18.16153       21.13384 
1 1 1 -3  1   6  o 927.5625 15.14748 191.1557       8.781740  187.4898       8.651036  8.935120       30.34380 
1 1 1 -3  1   7  o 700.0844 12.81487 107.3149       5.557153  108.3299       5.573279  -3.300171      25.69969 
1 1 1 -3  1   8  o 177.6527 19.86260 6.340174       2.174956  7.790081       2.128736  -19.46045      41.25355 
1 1 1 -3  1   9  o 261.6724 15.14555 17.80839       2.566548  13.00718       2.344376  41.65025       30.70676 
1 1 1 -3  1   10 o 547.1616 18.18325 0.000000       0.000000  66.49531       4.357974  ?              ?        
1 1 1 -3  1   11 o 245.9535 17.54890 13.13250       2.528525  13.79486       2.814012  -5.570374      35.72561 
1 1 1 -3  1   12 o 363.9764 13.85931 28.06602       3.058750  30.42490       3.192475  -14.69363      27.83951 
1 1 1 -3  1   13 o 309.6735 15.39058 20.71573       2.940626  21.64713       2.953854  -6.897461      31.00098 
1 1 1 -3  1   14 o 271.6162 24.75408 16.55372       2.916823  0.000000       0.000000  ?              ?        
1 1 1 -3  1   15 o 393.6623 15.12958 39.07751       3.797956  29.89911       3.586555  53.10321       30.52515 
1 1 1 -3  1   16 o 476.7689 14.99826 50.09586       4.364507  50.34437       4.498979  -0.9821472     30.15841 
1 1 1 -3  1   17 o 489.3693 14.46658 53.24057       4.282362  52.74321       4.499140  2.779938       29.14539 
1 1 1 -3  1   18 o 296.3503 17.64128 18.53382       3.116237  20.96602       3.353526  -18.09528      35.85078 
1 1 1 -3  1   19 o 224.3493 22.60453 11.61142       3.078723  11.52956       3.127849  1.236923       47.25514 
1 1 1 -3  1   20 o 275.0669 29.15321 14.75932       4.768613  21.75472       5.040188  -59.07274      62.99726 
1 1 1 -3  1   21 o 181.6778 40.88847 8.717118       4.216098  9.134809       4.841439  0.2717743      76.34309 
1 1 1 -3  1   22 o 93.69585 37.93620 0.9755505      2.882818  3.517361       4.461479  -27.84415      63.79960 
1 1 1 -3  1   23 o 264.4475 28.77262 22.27683       4.884451  13.71503       4.435743  72.44617       63.94103 
1 1 1 -3  1   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  2   1  o 83.22154 21.70205 1.056337       1.110312  2.151518       1.154499  -22.22822      37.58814 
1 1 1 -3  2   2  o 249.4069 9.994741 13.24799       1.524235  14.13058       1.562845  -8.069595      20.05908 
1 1 1 -3  2   3  f 467.6333 9.886804 48.23644       2.902161  47.79196       2.834999  2.138702       19.81846 
1 1 1 -3  2   4  o 101.8196 22.61034 2.288893       1.425768  2.453853       1.358461  -2.784966      41.59831 
1 1 1 -3  2   5  f 261.2974 11.86942 15.81591       1.983614  14.33790       1.860076  12.83212       23.85149 
1 1 1 -3  2   6  o 139.4749 21.35012 5.402874       1.802307  3.408282       1.775022  32.17835       42.79665 
1 1 1 -3  2   7  o 577.0615 11.70039 77.42529       4.339797  69.54610       4.051649  30.92773       23.46693 
1 1 1 -3  2   8  o 127.6252 26.41031 3.579318       2.053240  3.944755       1.991936  -5.634094      49.64445 
1 1 1 -3  2   9  o 192.1163 19.25065 9.066164       2.289849  7.531430       2.237648  18.62599       39.76136 
1 1 1 -3  2   10 o 229.1614 17.49331 10.85825       2.455051  12.58812       2.481039  -17.51596      35.72792 
1 1 1 -3  2   11 o 208.8180 19.01891 9.712833       2.455997  9.748072       2.417639  -0.5187988     38.94157 
1 1 1 -3  2   12 o 296.9435 14.95819 20.03379       2.766287  18.91844       2.726990  8.579437       30.12688 
1 1 1 -3  2   13 o 269.6659 16.44973 17.30587       2.802438  14.97805       2.678953  19.68744       33.24246 
1 1 1 -3  2   14 o 74.97333 31.33146 -0.3319335     2.449053  0.8772448      2.419898  -10.41808      52.24156 
1 1 1 -3  2   15 o 181.5059 24.77627 7.068985       2.748755  7.851367       2.686049  -10.26140      50.86519 
1 1 1 -3  2   16 o 553.3438 14.47950 67.25655       4.972661  67.89489       4.959017  -2.661438      29.07784 
1 1 1 -3  2   17 o 550.0091 14.29822 67.60095       4.894910  66.22746       4.853669  5.645813       28.74431 
1 1 1 -3  2   18 o 188.3386 23.96362 8.659783       2.759865  7.624883       2.713461  12.71954       49.76638 
1 1 1 -3  2   19 o 177.3017 26.09054 9.468805       2.761124  5.184292       2.807086  55.39110       53.38339 
1 1 1 -3  2   20 o 76.92552 32.46645 -1.844301      2.664095  2.764250       2.644797  -37.34456      53.15166 
1 1 1 -3  2   21 o 96.84972 40.32436 2.119429       3.976258  0.8081591      4.045646  7.873917       65.42228 
1 1 1 -3  2   22 o 133.7175 44.82618 6.968129       4.361674  3.563845       4.399607  26.96782       72.66343 
1 1 1 -3  2   23 o 161.9485 36.71529 6.051961       3.091875  9.779917       4.496757  -26.27660      70.02882 
1 1 1 -3  2   24 o 85.53940 37.87761 5.428091       4.474981  -2.320961      3.615827  47.00364       63.22172 
1 1 1 -3  3   1  o 145.2510 15.07761 4.276032       1.346400  5.089922       1.331297  -13.21576      31.06290 
1 1 1 -3  3   2  f 234.9772 11.25401 13.12539       1.666460  11.24961       1.606450  18.24446       22.64029 
1 1 1 -3  3   3  o 310.4225 10.38641 21.21941       2.026548  21.14554       1.969103  0.5037842      20.83436 
1 1 1 -3  3   4  o 621.7808 11.57339 82.81645       4.418005  87.09824       4.511253  -15.67780      23.19209 
1 1 1 -3  3   5  o 103.9683 24.84136 2.890862       1.590529  2.086916       1.569983  14.04270       44.57088 
1 1 1 -3  3   6  o 169.0708 17.45499 6.831177       1.842907  5.931192       1.768133  12.27747       35.81259 
1 1 1 -3  3   7  o 247.7559 13.83990 15.35850       2.255489  12.12643       2.003905  29.48007       27.89592 
1 1 1 -3  3   8  o 184.3569 18.29097 9.007462       2.181410  6.446340       1.964074  31.73219       37.65046 
1 1 1 -3  3   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  3   10 o 420.8940 12.73312 38.22356       3.306633  40.05596       3.334866  -9.927887      25.59248 
1 1 1 -3  3   11 o 267.3845 15.67136 16.83555       2.674160  14.96614       2.509521  15.75879       31.66339 
1 1 1 -3  3   12 o 307.1918 14.77634 20.49606       2.796518  21.17627       2.818579  -5.056976      29.74712 
1 1 1 -3  3   13 o 577.0219 13.12588 72.76395       4.686642  73.77246       4.709967  -3.975342      26.34410 
1 1 1 -3  3   14 o 255.7298 16.76976 13.40036       2.611980  15.65807       2.680518  -20.27788      34.00336 
1 1 1 -3  3   15 o 103.1876 33.14793 1.978190       2.418897  2.735401       2.393053  -9.093628      55.52735 
1 1 1 -3  3   16 o 440.4823 14.14963 42.30256       3.888633  43.32985       3.834406  -5.425262      28.43865 
1 1 1 -3  3   17 o 361.2039 15.18931 29.69068       3.436620  28.16498       3.356312  9.534912       30.61174 
1 1 1 -3  3   18 o 260.4054 18.19038 15.77831       2.990491  14.66911       2.854088  9.369843       37.07971 
1 1 1 -3  3   19 o 173.8378 26.20662 7.351088       2.775546  6.823120       2.702417  6.518066       53.68420 
1 1 1 -3  3   20 o 262.8878 19.15342 14.51267       3.045068  17.17110       3.162270  -22.97543      39.58427 
1 1 1 -3  3   21 o 201.0281 23.33432 8.802568       2.826234  10.27607       2.886389  -17.05046      49.52036 
1 1 1 -3  3   22 o 132.1154 44.66679 0.7270965      4.256336  9.964509       4.448199  -73.18826      70.02482 
1 1 1 -3  3   23 o 91.59319 39.15376 3.714806       4.000645  -0.9122924     3.893180  27.93230       63.17795 
1 1 1 -3  3   24 o 68.66892 32.09555 -0.4392224     2.884195  -2.630941      4.314486  -4.154243      53.85322 
1 1 1 -3  4   1  o 274.7531 11.36772 17.42940       1.965457  15.83589       1.902621  13.22763       22.82543 
1 1 1 -3  4   2  o 221.6263 13.10950 9.336993       1.765480  12.42353       1.824440  -32.00781      26.61084 
1 1 1 -3  4   3  o 230.0833 12.93190 12.01738       1.874068  11.34327       1.804470  6.649734       26.04395 
1 1 1 -3  4   4  o 157.1302 18.28448 6.350451       1.842828  4.817981       1.668106  22.30006       37.53735 
1 1 1 -3  4   5  o 707.3561 12.77962 109.0928       5.619819  110.8306       5.595338  -5.627686      25.61755 
1 1 1 -3  4   6  o 88.62576 28.63344 3.073174       1.826320  0.4118263      1.762325  38.61115       46.54765 
1 1 1 -3  4   7  o 99.60645 29.25928 2.299584       1.958215  2.207562       1.896620  1.911682       50.00453 
1 1 1 -3  4   8  o 362.8868 12.47096 26.93654       2.767836  31.25914       2.839784  -27.18735      25.08315 
1 1 1 -3  4   9  o 530.0377 12.19812 63.23111       4.094116  60.78870       3.932109  10.28381       24.51669 
1 1 1 -3  4   10 o 82.23851 30.78851 0.1939379      2.170761  2.110074       2.069066  -20.28238      50.35926 
1 1 1 -3  4   11 o 235.9759 16.86240 11.51892       2.486089  13.18879       2.419395  -16.64148      34.41951 
1 1 1 -3  4   12 o 119.0820 30.35896 3.275681       2.275425  3.303340       2.223566  -0.1225662     53.77694 
1 1 1 -3  4   13 o 401.1975 13.49793 36.30943       3.480197  34.73856       3.241438  8.689331       27.13360 
1 1 1 -3  4   14 o 572.9404 13.38397 68.64819       4.689698  76.17968       4.826769  -29.90961      26.88611 
1 1 1 -3  4   15 o 88.60506 33.36443 2.567497       2.562349  0.2435191      2.432752  26.11531       54.83856 
1 1 1 -3  4   16 o 189.5122 24.10273 7.547012       2.874215  8.622033       2.675384  -14.08055      50.02834 
1 1 1 -3  4   17 o 175.9898 24.91423 6.984444       2.777018  7.151204       2.528311  -3.212280      51.22977 
1 1 1 -3  4   18 o 159.7860 27.18169 8.343569       2.788532  4.122443       2.441555  55.84694       52.91940 
1 1 1 -3  4   19 o 217.2273 21.12453 10.99659       2.881264  10.55801       2.744959  3.898834       43.92854 
1 1 1 -3  4   20 o 144.0377 31.64742 7.830338       2.865878  2.898369       2.647654  62.64983       56.36864 
1 1 1 -3  4   21 o 250.3606 19.70975 12.63766       3.105155  16.09095       2.971890  -34.17390      41.79447 
1 1 1 -3  4   22 o 64.31133 30.21450 1.723682       4.231684  -2.710068      2.530672  41.82963       55.95854 
1 1 1 -3  4   23 o 126.6695 43.05999 6.735856       4.277374  3.240499       3.842052  28.08862       70.01093 
1 1 1 -3  4   24 o 109.5118 43.12280 3.799325       4.316701  3.333864       4.288467  2.944427       67.93093 
1 1 1 -3  5   1  o 273.6241 12.66833 18.38084       2.224550  14.83680       2.072366  29.49612       25.47927 
1 1 1 -3  5   2  o 414.0540 11.45864 38.15283       2.954757  37.22098       2.926011  5.126373       22.96521 
1 1 1 -3  5   3  o 328.8221 11.94590 25.15835       2.503053  22.55320       2.367813  18.00818       23.96877 
1 1 1 -3  5   4  o 324.7886 12.41635 22.33110       2.505146  24.08421       2.488840  -12.38220      24.94883 
1 1 1 -3  5   5  o 304.6744 12.72577 22.12634       2.512500  19.02596       2.301061  23.05096       25.56407 
1 1 1 -3  5   6  o 156.2878 22.34475 4.646321       2.205414  6.229983       2.016647  -23.73457      45.85756 
1 1 1 -3  5   7  o 317.7233 13.13522 23.74365       2.670360  20.95989       2.504128  19.84155       26.40434 
1 1 1 -3  5   8  o 332.0162 13.06594 25.26414       2.767435  23.51973       2.610916  11.78055       26.28283 
1 1 1 -3  5   9  o 358.9225 13.21875 26.77932       2.956403  30.15274       2.920111  -21.66998      26.66957 
1 1 1 -3  5   10 o 129.6890 29.50142 1.173041       2.297390  6.861405       2.342558  -77.41426      49.40507 
1 1 1 -3  5   11 o 355.4540 13.56973 27.94758       3.074483  27.86227       2.905790  0.2685852      27.33060 
1 1 1 -3  5   12 o 295.6107 18.11622 20.57626       2.931478  17.26547       3.874518  28.27972       39.47501 
1 1 1 -3  5   13 o 325.0332 14.89983 24.26282       3.084165  22.48462       2.915329  12.31152       29.98979 
1 1 1 -3  5   14 f 245.1811 17.49679 13.87420       2.774383  12.91476       2.529745  8.471008       35.55677 
1 1 1 -3  5   15 o 389.8416 14.04317 33.09567       3.470704  34.00463       3.315548  -5.610931      28.28925 
1 1 1 -3  5   16 o 144.5634 31.18834 6.747225       2.937711  3.488145       2.535661  43.75066       57.14543 
1 1 1 -3  5   17 o 455.0191 14.26494 42.88784       4.018462  48.71488       4.024378  -29.38425      28.75007 
1 1 1 -3  5   18 o 167.0666 26.29251 7.152900       2.771637  5.917416       2.516546  15.55443       53.16237 
1 1 1 -3  5   19 o 242.8310 18.98169 14.17192       2.960829  12.63907       2.726742  13.47911       39.01268 
1 1 1 -3  5   20 o 139.4715 31.63864 2.708159       2.733925  6.825084       2.618180  -53.17510      55.89404 
1 1 1 -3  5   21 o 166.9960 27.31059 8.785925       2.870584  5.116000       2.610734  46.42464       54.80829 
1 1 1 -3  5   22 o 133.5340 33.14735 1.558391       2.787743  7.628004       2.681150  -72.83331      54.59108 
1 1 1 -3  5   23 o 117.4861 49.46325 4.039550       4.339414  0.000000       0.000000  ?              ?        
1 1 1 -3  5   24 o 92.88728 39.42428 0.1721172      4.135668  3.308634       3.788615  -16.07715      62.38237 
1 1 1 -3  6   1  o 510.2780 12.12606 56.54105       3.859658  57.85776       3.817363  -5.924713      24.32842 
1 1 1 -3  6   2  o 317.4753 13.18118 23.10170       2.723390  21.43737       2.474832  11.76059       26.51964 
1 1 1 -3  6   3  o 442.8768 12.25162 44.51191       3.415441  41.83674       3.312137  13.73218       24.56076 
1 1 1 -3  6   4  o 574.3738 12.60918 68.72443       4.387723  76.69473       4.605372  -31.53479      25.29060 
1 1 1 -3  6   5  o 621.8314 12.75252 82.36403       4.848957  87.85326       4.992362  -20.05902      25.57713 
1 1 1 -3  6   6  o 826.9938 14.74927 150.8352       7.623527  150.4599       7.510533  0.9223022      29.59891 
1 1 1 -3  6   7  o 187.8191 20.05153 5.639068       2.344110  10.00865       2.258426  -55.61407      43.21975 
1 1 1 -3  6   8  o 337.0208 13.83635 23.88041       2.931490  26.28387       2.843501  -16.57657      27.94545 
1 1 1 -3  6   9  o 110.2680 31.33307 2.679580       2.333751  3.001959       2.163389  -3.293526      53.95529 
1 1 1 -3  6   10 f 301.4084 15.11834 18.09621       2.808666  22.24918       2.826718  -31.76080      30.69077 
1 1 1 -3  6   11 o 101.0552 32.78844 1.722668       2.446150  2.706281       2.264783  -10.30436      54.74112 
1 1 1 -3  6   12 o 161.8889 36.44433 6.136098       2.525332  0.000000       0.000000  ?              ?        
1 1 1 -3  6   13 o 189.8175 22.68958 4.620752       2.670821  11.31844       2.569688  -82.96021      48.78349 
1 1 1 -3  6   14 o 150.3788 28.14081 5.211309       2.619342  5.221099       2.446671  -0.2423859     54.48559 
1 1 1 -3  6   15 o 162.8078 26.73661 5.960280       2.776890  6.187267       2.464169  -3.868500      53.62169 
1 1 1 -3  6   16 o 224.7930 20.57579 11.41204       3.043552  11.23192       2.668127  0.5731354      42.58467 
1 1 1 -3  6   17 f 54.47900 26.28209 -2.009957      2.928890  -3.401309      2.456509  15.54500       47.39261 
1 1 1 -3  6   18 o 84.74773 33.80604 -2.207065      2.829778  3.571331       2.545689  -48.04817      53.67161 
1 1 1 -3  6   19 o 161.4553 28.39099 3.929387       2.800915  8.290271       2.682364  -57.62459      54.82271 
1 1 1 -3  6   20 o 143.0874 31.51974 5.973653       2.813672  4.343641       2.638737  20.87779       58.51968 
1 1 1 -3  6   21 o 301.3949 17.51085 20.11914       3.356751  21.27397       3.170710  -10.44754      36.12157 
1 1 1 -3  6   22 o 192.3147 25.44624 9.344278       3.140903  8.785267       2.809243  2.269363       54.58783 
1 1 1 -3  6   23 o 56.29468 27.39423 -6.824572      3.930937  -1.187173      2.588538  -3.772537      47.28100 
1 1 1 -3  6   24 o 90.79374 38.97506 0.3423217      4.075329  2.963014       3.817549  -13.09998      61.65335 
1 1 1 -3  6   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  7   1  o 198.7431 19.78542 7.046968       2.321471  10.82767       2.502441  -44.05447      41.03001 
1 1 1 -3  7   2  o 253.1041 16.21229 12.91645       2.608370  15.26947       2.462038  -21.79356      33.13168 
1 1 1 -3  7   3  o 194.5203 20.06328 9.317472       2.538961  7.740877       2.258136  18.17624       41.18567 
1 1 1 -3  7   4  o 360.6176 13.28726 28.32624       3.031852  28.93946       2.906627  -4.031738      26.71959 
1 1 1 -3  7   5  o 216.2561 19.19828 10.95284       2.599760  9.910416       2.500493  11.00017       39.22153 
1 1 1 -3  7   6  o 642.9141 13.46544 88.71466       5.325027  93.48748       5.416523  -16.87457      27.03513 
1 1 1 -3  7   7  o 303.7610 14.89077 19.17842       2.840115  21.60274       2.756376  -18.57657      30.15674 
1 1 1 -3  7   8  o 117.2376 31.62416 4.267650       2.449832  2.363048       2.265640  26.83107       54.75017 
1 1 1 -3  7   9  o 453.0845 13.72915 45.96597       3.961112  44.96461       3.755563  4.619720       27.64575 
1 1 1 -3  7   10 o 95.19048 39.44839 0.7904454      2.696034  0.000000       0.000000  ?              ?        
1 1 1 -3  7   11 o 356.4725 15.70872 23.62671       3.601010  31.98038       3.343497  -54.85037      32.52708 
1 1 1 -3  7   12 o 490.3789 19.85926 53.28076       4.262818  0.000000       0.000000  ?              ?        
1 1 1 -3  7   13 o 654.8006 14.12651 91.41682       5.722926  97.53114       5.753183  -21.33313      28.37453 
1 1 1 -3  7   14 o 89.34541 33.71432 1.058400       2.601575  1.630307       2.502603  -4.585907      55.67591 
1 1 1 -3  7   15 o 296.9520 16.41693 18.29529       3.094529  20.71249       2.936332  -19.21463      33.42256 
1 1 1 -3  7   16 o 100.0722 35.44140 0.3513508      2.877160  3.435471       2.641183  -29.62306      57.61872 
1 1 1 -3  7   17 o 431.1392 14.94504 41.37298       4.119979  41.01770       3.873284  1.340698       30.14572 
1 1 1 -3  7   18 o 459.5890 14.56588 49.96924       4.401524  44.48487       3.932717  26.01263       29.40629 
1 1 1 -3  7   19 f 224.4260 21.86646 11.84935       3.162018  11.30512       2.870319  3.660797       45.74928 
1 1 1 -3  7   20 o 143.3302 32.10905 3.142437       2.850322  7.000105       2.721814  -49.27821      57.42775 
1 1 1 -3  7   21 o 184.3937 25.96614 10.04237       3.063949  6.749583       2.739159  38.11021       54.28909 
1 1 1 -3  7   22 o 75.81706 33.31732 1.327362       3.952300  -0.2003306     2.540560  22.62667       56.77956 
1 1 1 -3  7   23 o 91.18454 38.75712 0.8480825      4.070895  2.262172       3.623199  -5.808525      61.74850 
1 1 1 -3  7   24 o 87.56801 37.95478 0.4857089      4.065531  2.310252       3.593079  -7.498756      60.05950 
1 1 1 -3  7   25 o 75.11739 34.66168 1.230403       4.031904  -1.053707      3.543790  12.96706       56.24058 
1 1 1 -3  8   1  o 181.3527 22.19718 9.387718       2.431517  5.336531       2.458946  52.48219       46.63692 
1 1 1 -3  8   2  o 120.5209 31.86030 3.904241       2.368659  2.773989       2.469937  14.72519       55.62433 
1 1 1 -3  8   3  o 170.0001 23.36510 5.807818       2.413790  7.222313       2.384178  -19.40656      47.86700 
1 1 1 -3  8   4  f 410.4110 13.87781 36.94978       3.679388  37.30590       3.393917  -2.354370      27.97946 
1 1 1 -3  8   5  o 254.9525 17.67994 16.47192       2.849322  12.59975       2.713275  34.86382       36.03580 
1 1 1 -3  8   6  o 381.0299 14.29306 33.10717       3.524214  31.23503       3.238528  10.75192       28.79958 
1 1 1 -3  8   7  o 245.1814 18.65507 12.74670       2.816892  14.12741       2.815052  -13.15245      38.10775 
1 1 1 -3  8   8  o 358.2778 14.98610 26.05040       3.265955  31.08775       3.383699  -32.04388      30.26994 
1 1 1 -3  8   9  o 324.9515 15.73219 25.36775       3.236193  21.72524       3.092277  25.43231       31.79974 
1 1 1 -3  8   10 o 408.0407 14.51091 36.40589       3.748236  37.22279       3.591009  -4.903839      29.24297 
1 1 1 -3  8   11 o 211.0250 30.87125 0.000000       0.000000  10.20016       2.772993  ?              ?        
1 1 1 -3  8   12 o 343.9278 19.20339 28.83210       3.574469  21.37121       4.888890  54.36346       43.66185 
1 1 1 -3  8   13 o 282.8090 17.45578 17.59988       3.181001  17.85237       2.929304  -2.602844      35.46312 
1 1 1 -3  8   14 o 596.3346 14.33117 81.55614       5.500311  75.80454       5.122559  21.49121       28.82877 
1 1 1 -3  8   15 o 170.3821 26.96633 6.783082       2.887704  6.575541       2.639667  1.969269       54.39968 
1 1 1 -3  8   16 o 176.7088 28.22673 8.004088       3.221476  6.566346       2.802260  16.94231       56.82097 
1 1 1 -3  8   17 o 367.9602 16.39778 30.39781       3.840302  29.83670       3.635040  2.950256       33.15254 
1 1 1 -3  8   18 o 260.1301 26.93747 0.000000       0.000000  15.62471       3.029182  ?              ?        
1 1 1 -3  8   19 f 347.8818 16.34555 26.77474       3.559433  27.56987       3.476974  -5.703369      33.22927 
1 1 1 -3  8   20 o 414.7413 15.54519 39.02414       4.196256  38.63972       3.815411  -0.1867981     31.76211 
1 1 1 -3  8   21 f 185.5320 26.08989 9.240204       3.234476  7.744733       2.682145  12.21489       55.38408 
1 1 1 -3  8   22 o 120.5898 42.88976 3.218757       4.542795  5.028288       3.664294  -12.78233      68.68839 
1 1 1 -3  8   23 o 89.57118 38.73278 3.429519       4.093517  -0.2351525     3.814584  21.45945       62.04535 
1 1 1 -3  8   24 o 78.71831 35.81408 1.851450       4.135953  -0.7814268     3.587827  15.27328       57.95775 
1 1 1 -3  8   25 o 59.88225 28.95025 -2.370018      3.016096  -1.681837      3.606550  -7.972298      48.76757 
1 1 1 -3  9   1  f 326.2496 16.88351 24.70465       3.276736  22.27810       3.550179  17.75467       34.40269 
1 1 1 -3  9   2  o 110.4317 33.83773 3.789514       2.536772  1.759426       2.536501  25.03461       56.67710 
1 1 1 -3  9   3  o 179.7508 28.95865 10.67452       3.802422  5.778733       2.707789  55.98347       57.97185 
1 1 1 -3  9   4  o 317.1127 16.09315 21.35365       3.168423  23.20823       3.142457  -13.54080      32.52234 
1 1 1 -3  9   5  o 153.3761 30.26002 7.829946       2.995074  3.735507       2.600060  53.58263       56.48155 
1 1 1 -3  9   6  o 164.5198 27.07765 3.134849       2.715079  9.169325       2.622065  -78.46201      52.21753 
1 1 1 -3  9   7  o 213.0384 21.97714 11.77406       3.073242  9.114235       2.690224  27.51402       45.48219 
1 1 1 -3  9   8  f 143.2036 31.48420 4.359169       2.839310  5.297436       2.615421  -12.37967      58.26544 
1 1 1 -3  9   9  o 519.8237 14.46567 63.76588       4.840910  56.39488       4.498016  31.76001       29.09787 
1 1 1 -3  9   10 o 375.4480 15.92871 33.88914       3.946605  29.10328       3.496764  28.32104       32.12080 
1 1 1 -3  9   11 f 759.1324 21.70645 0.000000       0.000000  127.9334       7.220403  ?              ?        
1 1 1 -3  9   12 o 154.6903 31.55771 4.921912       2.983104  6.139704       2.871133  -15.73886      59.48065 
1 1 1 -3  9   13 o 405.3912 16.12047 34.18810       4.042915  38.51589       4.048636  -24.52426      32.50842 
1 1 1 -3  9   14 o 185.6289 27.00573 10.69704       3.202494  5.643906       2.863083  60.54393       54.54404 
1 1 1 -3  9   15 o 245.4767 21.50001 12.79502       3.313706  14.19221       3.172656  -13.92873      44.37548 
1 1 1 -3  9   16 o 364.7449 16.95763 27.29402       3.912066  31.58746       3.745960  -27.58801      34.48680 
1 1 1 -3  9   17 o 113.8357 36.34007 3.228100       3.045808  2.819650       2.764444  6.569641       61.06682 
1 1 1 -3  9   18 o 68.76710 30.78061 1.522713       2.925402  -2.187758      2.520124  32.96980       52.91135 
1 1 1 -3  9   19 o 111.5675 36.37111 0.8966983E-01  3.065395  5.409165       2.741723  -53.17426      57.41448 
1 1 1 -3  9   20 o 182.7906 32.33501 6.914453       4.484746  9.104420       3.007296  -36.17319      65.91943 
1 1 1 -3  9   21 o 152.1657 41.85177 8.744685       4.468386  5.061202       3.767425  32.17038       72.66595 
1 1 1 -3  9   22 o 204.8334 32.28617 9.945316       4.483344  11.78385       3.595373  -34.51749      68.51468 
1 1 1 -3  9   23 o 79.01357 36.06450 2.142115       4.464516  -1.222563      3.545664  21.13564       59.39795 
1 1 1 -3  9   24 o 159.9433 37.17516 9.385926       3.339400  5.565029       3.980614  46.87643       65.92657 
1 1 1 -3  9   25 o 73.33024 33.42850 -1.241147      2.936773  3.296246       4.042232  -27.94932      55.58575 
1 1 1 -3  10  1  o 170.8784 39.99724 11.99293       4.147874  2.005343       4.180908  100.1007       66.44942 
1 1 1 -3  10  2  o 317.2686 26.74062 24.10005       4.990968  21.30003       5.469487  23.04477       56.02094 
1 1 1 -3  10  3  o 76.73241 34.05191 -3.078355      3.678945  0.9247414      2.916136  -14.36856      57.16042 
1 1 1 -3  10  4  f 207.1354 23.68598 9.321565       3.019778  10.14508       2.958689  -9.738556      49.24815 
1 1 1 -3  10  5  o 114.7574 35.41293 2.221823       2.866422  3.809563       2.686821  -17.18504      59.42830 
1 1 1 -3  10  6  o 106.8684 35.97029 2.864179       2.948031  2.266758       2.708129  8.580963       59.90683 
1 1 1 -3  10  7  o 337.5555 16.81715 23.40303       3.588238  27.17978       3.437227  -26.36658      34.28582 
1 1 1 -3  10  8  o 208.0979 23.88403 9.909181       3.216975  9.785173       2.867668  -0.3280182     49.90001 
1 1 1 -3  10  9  o 297.0826 18.66241 17.06141       3.495164  22.03741       3.352972  -39.42831      38.50317 
1 1 1 -3  10  10 o 521.4045 14.79441 60.39518       4.906432  59.67339       4.663307  2.820007       29.74890 
1 1 1 -3  10  11 o 497.4588 18.25925 43.31290       7.181654  59.84070       4.776978  -83.65964      43.39617 
1 1 1 -3  10  12 o 566.2764 15.73802 74.60320       5.766613  67.61117       5.307825  27.58435       31.63661 
1 1 1 -3  10  13 o 711.5187 15.87836 109.3930       7.065892  114.2749       6.951951  -15.91827      31.95909 
1 1 1 -3  10  14 o 445.4517 15.95809 39.29440       4.314369  49.05645       4.496182  -49.93524      32.22712 
1 1 1 -3  10  15 o 144.0588 37.08906 8.895882       3.513865  1.709966       3.179346  81.99454       61.27745 
1 1 1 -3  10  16 o 228.9247 30.69858 16.78592       5.571380  10.18148       3.568469  54.81653       65.09558 
1 1 1 -3  10  17 o 141.0943 44.55062 7.792403       4.490944  2.273865       4.241745  50.71754       73.31735 
1 1 1 -3  10  18 o 134.8844 43.95340 -2.512998      4.404376  10.58473       4.058536  -106.7844      64.21365 
1 1 1 -3  10  19 o 175.8406 37.74923 11.30398       4.161326  5.033987       3.846213  65.52704       68.80093 
1 1 1 -3  10  20 o 82.62041 36.52781 -0.5183980     3.949585  0.7081740      3.467270  -2.496391      59.95206 
1 1 1 -3  10  21 o 168.9412 40.70794 4.925851       4.470331  10.59330       3.999705  -57.82450      70.86609 
1 1 1 -3  10  22 o 77.36033 34.52452 1.367161       3.227335  -1.094009      3.534332  11.10655       56.08608 
1 1 1 -3  10  23 o 76.66508 34.59971 0.1313148      3.188397  0.5444615      3.901123  -6.953133      56.13200 
1 1 1 -3  10  24 o 87.98558 38.82781 3.017325       4.689990  1.065402       3.754709  11.43968       61.09765 
1 1 1 -3  10  25 o 118.8809 43.98347 6.070595       4.820982  5.474298       3.915275  -0.6815643     67.48074 
1 1 1 -3  11  1  o 99.78982 43.77422 0.4124295      4.385404  -2.086753      6.730696  -11.25873      74.60416 
1 1 1 -3  11  2  o 79.66944 37.49862 -1.899102      3.915130  -6.860559      6.639284  -12.72861      66.49059 
1 1 1 -3  11  3  o 77.51477 34.47278 -1.316124      2.949200  0.5199367      3.911104  -25.15855      59.62094 
1 1 1 -3  11  4  o 69.69299 33.31181 -3.949359      3.969079  -3.131516      4.150919  -5.988190      58.43421 
1 1 1 -3  11  5  o 131.6304 44.51119 4.320039       4.342749  3.673434       4.295353  5.894760       73.81136 
1 1 1 -3  11  6  o 104.5795 41.84655 1.028579       4.076846  2.088788       4.152010  -8.494133      68.91870 
1 1 1 -3  11  7  o 110.2124 43.74591 0.4754930      4.727684  2.875628       4.233496  -12.12659      71.80771 
1 1 1 -3  11  8  o 382.7114 23.68824 30.81005       5.691625  34.70477       5.505256  -24.27585      48.44242 
1 1 1 -3  11  9  o 525.1812 21.70939 57.22540       7.072358  65.46887       7.042246  -36.27191      43.96688 
1 1 1 -3  11  10 o 623.3667 22.52827 82.55620       8.947791  89.81466       8.466311  -27.79980      45.68370 
1 1 1 -3  11  11 o 447.1317 23.78902 43.33486       7.076506  45.53463       6.166108  -13.56250      48.90002 
1 1 1 -3  11  12 o 520.0518 22.76167 52.44855       7.399094  67.84206       7.253289  -68.93582      46.61118 
1 1 1 -3  11  13 o 175.7207 44.22980 8.011055       5.127267  7.085589       4.556950  9.651566       79.01274 
1 1 1 -3  11  14 o 189.1093 41.93678 6.705991       5.076045  10.21503       4.548364  -34.85225      76.91470 
1 1 1 -3  11  15 o 149.0835 47.38507 5.895853       5.211042  4.771322       4.683882  12.10913       79.65788 
1 1 1 -3  11  16 o 92.50385 41.12266 -2.131142      4.914640  0.4769184      4.572156  -10.04159      69.00758 
1 1 1 -3  11  17 o 113.5394 44.42372 4.922865       4.940572  0.4840115      4.225113  37.02862       73.14442 
1 1 1 -3  11  18 o 70.64136 32.91764 -0.6282910     3.179866  -3.650767      4.009571  4.079468       56.19678 
1 1 1 -3  11  19 o 89.33488 36.25392 1.377333       3.167191  1.182075       3.104904  2.129433       59.20887 
1 1 1 -3  11  20 o 95.86710 39.17355 1.245261       3.215397  3.034647       4.469153  -19.21980      64.43938 
1 1 1 -3  11  21 o 90.08587 40.45509 -0.4599673     4.709519  1.408921       4.702875  -8.360435      65.35661 
1 1 1 -3  11  22 o 89.18987 39.88239 -3.611630      4.630976  5.302565       4.418836  -39.45843      63.92411 
1 1 1 -3  11  23 o 92.15010 40.33205 4.922757       4.829695  -0.5518794E-01 4.050560  25.57304       64.14372 
1 1 1 -3  11  24 o 79.86961 36.80836 3.912768       4.770902  -1.378112      3.833375  23.88297       59.30127 
1 1 1 -3  11  25 o 141.6956 45.97976 8.064210       5.091982  8.576941       4.261419  -11.57132      71.66273 
1 1 1 -3  12  1  o 201.2413 30.86997 6.403413       3.352172  14.12020       4.275810  -81.34329      61.33043 
1 1 1 -3  12  2  o 112.0450 40.00510 2.313733       3.095881  3.051021       4.160323  -16.30845      67.17699 
1 1 1 -3  12  3  o 291.5328 23.19014 19.54633       3.830290  18.49344       4.590745  11.41342       48.80544 
1 1 1 -3  12  4  o 182.6270 46.79593 10.53709       4.869971  4.669235       5.937071  49.44559       80.83826 
1 1 1 -3  12  5  o 246.0035 37.01702 13.95033       5.018627  14.46666       6.080961  -0.1737213     76.68434 
1 1 1 -3  12  6  o 205.0115 37.54569 8.315747       4.534123  11.56580       4.666516  -33.38054      73.00497 
1 1 1 -3  12  7  o 97.78353 40.99040 4.704242       4.416537  -2.810065      3.988408  57.06827       68.06639 
1 1 1 -3  12  8  o 446.2811 24.12124 44.14677       6.669846  44.78155       6.635973  -3.377045      48.89764 
1 1 1 -3  12  9  o 126.5942 45.64881 7.367247       4.848139  -0.1636702     4.361985  65.02416       73.87267 
1 1 1 -3  12  10 o 312.6249 30.59389 20.54176       6.166193  23.44441       5.590333  -24.24316      64.39610 
1 1 1 -3  12  11 o 304.5464 28.86650 26.43486       6.121015  17.54588       4.868145  63.03485       59.62378 
1 1 1 -3  12  12 o 290.1159 31.03633 22.84970       6.057899  16.71923       5.070465  45.21802       64.65102 
1 1 1 -3  12  13 o 235.1029 36.59283 10.14437       5.233563  15.70994       5.095376  -54.04570      74.22269 
1 1 1 -3  12  14 o 278.7768 32.30782 12.97432       5.463121  22.94188       5.504524  -84.99770      69.16215 
1 1 1 -3  12  15 o 438.0171 25.23867 46.50033       7.076807  40.48142       6.604782  30.18359       51.48645 
1 1 1 -3  12  16 o 141.1118 48.97818 0.2091460      5.287322  9.083982       5.189413  -65.91212      77.94733 
1 1 1 -3  12  17 o 218.4566 41.18222 13.49097       5.666093  10.70922       5.126523  23.25502       80.97800 
1 1 1 -3  12  18 o 130.4000 48.45905 -1.056397      5.404924  8.989776       5.067248  -65.29635      75.84748 
1 1 1 -3  12  19 o 164.3527 48.96481 6.252701       5.674598  9.378736       5.100659  -25.89449      81.72803 
1 1 1 -3  12  20 o 122.7600 47.26072 8.704981       5.548502  1.562363       4.707211  44.13827       75.50649 
1 1 1 -3  12  21 o 69.67134 34.04941 -1.789711      4.870840  -6.331883      4.867361  12.89704       57.85685 
1 1 1 -3  12  22 o 84.93616 36.82257 3.433598       4.834649  0.5061675      2.977501  23.64986       61.09573 
1 1 1 -3  12  23 o 145.0692 38.82814 9.914866       4.965427  5.595505       2.923750  15.76164       70.21391 
1 1 1 -3  12  24 f 56.44019 27.33659 -2.182210      3.213023  -1.685601      2.745089  2.560951       45.74054 
1 1 1 -3  12  25 o 107.7892 39.46059 5.142248       4.733544  4.246149       2.840568  -2.502258      61.58131 
1 1 1 -3  13  1  o 138.5061 39.51891 5.923400       3.467736  2.843312       3.664351  31.87780       66.97640 
1 1 1 -3  13  2  o 205.2441 33.52425 8.285120       3.698772  12.04356       4.731297  -37.69792      67.31817 
1 1 1 -3  13  3  o 73.89554 33.99497 -0.2354408     3.247343  -4.186636      4.048306  9.496506       58.35369 
1 1 1 -3  13  4  f 134.8584 41.03037 4.455442       3.384440  3.805160       4.232879  1.152481       69.90208 
1 1 1 -3  13  5  o 158.5392 37.69204 5.532609       3.355613  6.503012       4.044487  -12.36060      68.62486 
1 1 1 -3  13  6  o 121.8824 40.63377 2.168409       3.324070  4.780698       3.958885  -30.65727      67.99937 
1 1 1 -3  13  7  o 89.30773 36.20485 3.771694       3.170315  -1.956133      3.078341  49.87955       59.00086 
1 1 1 -3  13  8  o 90.55751 37.31110 -2.045440      3.446764  3.183008       3.324674  -39.21970      61.15840 
1 1 1 -3  13  9  o 113.0337 39.76551 -0.4809407     3.609323  5.259190       3.326921  -50.59050      63.39955 
1 1 1 -3  13  10 o 172.4626 33.43199 4.131230       3.395308  9.934694       3.502140  -67.85394      61.92218 
1 1 1 -3  13  11 f 330.2107 20.04149 22.97913       4.197031  25.53117       3.983154  -18.56320      40.92001 
1 1 1 -3  13  12 o 91.63737 37.55050 -2.541758      3.648611  3.458448       3.202053  -40.00755      60.75055 
1 1 1 -3  13  13 o 203.2812 30.95599 10.37242       4.089357  9.016435       3.532429  12.78589       63.28915 
1 1 1 -3  13  14 o 309.7191 21.92320 19.83687       4.393944  22.94186       4.002896  -24.95694      45.51945 
1 1 1 -3  13  15 o 61.35732 30.08496 -3.833904      4.149810  -6.154714      3.684408  15.05789       54.45506 
1 1 1 -3  13  16 o 183.7458 33.67993 9.224892       3.970867  7.292722       3.473718  20.01245       66.30315 
1 1 1 -3  13  17 o 190.0474 33.10422 9.383309       4.042755  8.385422       3.530849  7.882553       66.59327 
1 1 1 -3  13  18 o 92.16827 37.80281 0.3597323      3.639046  2.104303       3.293664  -9.501785      61.50616 
1 1 1 -3  13  19 f 140.7383 39.26727 7.012841       3.944759  4.465137       3.265726  24.00085       68.16804 
1 1 1 -3  13  20 o 81.35957 35.54203 0.8336053      3.665773  0.4165634      3.175525  6.516785       57.95814 
1 1 1 -3  13  21 o 78.59101 35.12415 3.663532       3.812761  -2.022186      3.256177  35.57611       58.25628 
1 1 1 -3  13  22 o 139.2210 38.42539 4.705104       3.745799  7.168608       3.177724  -28.77343      64.80916 
1 1 1 -3  13  23 o 84.70434 35.78148 0.1974129E-01  3.475767  3.176504       3.027992  -17.43121      55.99969 
1 1 1 -3  13  24 o 66.44845 30.91350 2.006448       3.420647  -1.621624      2.836046  20.42592       50.75675 
1 1 1 -3  13  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  14  1  o 75.59045 34.38475 0.8355327E-01  3.486222  -3.041049      3.577466  17.19100       58.93200 
1 1 1 -3  14  2  o 140.1239 40.49466 5.439390       3.607296  3.575928       3.838033  18.22525       69.07808 
1 1 1 -3  14  3  o 104.7455 40.45342 4.331607       3.476011  -1.847698      4.043471  42.81362       64.88203 
1 1 1 -3  14  4  o 190.4403 34.33297 7.452345       3.579230  9.791204       4.344453  -25.03893      67.39178 
1 1 1 -3  14  5  o 134.0357 42.30381 1.327354       3.358024  10.09732       4.960542  -93.97002      70.38745 
1 1 1 -3  14  6  o 135.7115 40.43542 8.060454       3.450943  -0.5914819     3.908381  80.98478       62.68050 
1 1 1 -3  14  7  o 152.6035 39.95741 5.413362       3.600247  5.633609       4.101208  -4.088364      70.52396 
1 1 1 -3  14  8  o 218.9541 29.74218 10.75222       3.838758  11.17688       4.039486  -3.769165      61.28111 
1 1 1 -3  14  9  o 235.5743 26.89287 13.39664       4.080503  11.94230       3.671049  12.86261       55.85743 
1 1 1 -3  14  10 o 166.9888 36.74604 4.564355       3.812959  8.480296       3.601893  -43.92668      66.76407 
1 1 1 -3  14  11 f 151.9814 37.40072 8.969916       3.685183  2.731463       3.343142  70.63353       64.02666 
1 1 1 -3  14  12 o 423.1263 19.15849 36.62461       5.068311  43.10864       4.964425  -35.76410      38.99242 
1 1 1 -3  14  13 o 156.0701 41.16961 5.495408       4.183916  6.261543       3.914576  -7.334625      72.30363 
1 1 1 -3  14  14 o 494.5748 19.85481 68.82875       6.679048  44.70541       5.616137  107.8120       40.24507 
1 1 1 -3  14  15 o 118.4563 41.39299 6.238186       4.043705  0.9041284      3.502939  51.89343       67.64200 
1 1 1 -3  14  16 o 284.7494 25.14260 17.12183       4.606005  20.11582       4.211462  -28.31345      53.67110 
1 1 1 -3  14  17 o 190.7815 34.15290 6.504761       4.192217  11.03281       3.650590  -53.50259      66.98139 
1 1 1 -3  14  18 o 87.32938 37.60602 -0.1063846     4.013042  1.274841       3.434419  -3.292549      61.44529 
1 1 1 -3  14  19 o 92.58507 38.38734 1.166026       4.100701  2.060925       3.265890  -0.6788788     61.75020 
1 1 1 -3  14  20 o 55.11573 27.28496 -2.018602      3.742221  -6.269004      3.256391  19.27534       48.80927 
1 1 1 -3  14  21 o 135.8894 40.77709 9.047689       4.157249  3.905451       3.382301  40.88539       68.33779 
1 1 1 -3  14  22 f 64.53012 30.56310 -1.641932      3.590368  -0.5848612     3.007923  0.3766556      50.14814 
1 1 1 -3  14  23 o 72.28819 32.85567 0.5174177      3.557216  0.4987194      2.956772  3.412483       52.38776 
1 1 1 -3  14  24 o 78.19089 34.56168 2.330334       3.658878  1.033124       3.025116  8.140465       53.93815 
1 1 1 -3  15  1  o 461.1863 20.37372 45.70664       5.600199  49.05111       6.054767  -15.74515      41.16426 
1 1 1 -3  15  2  o 87.17461 37.73459 -1.790761      3.630078  1.649744       3.890345  -26.56943      63.58381 
1 1 1 -3  15  3  o 246.2785 33.68528 17.33052       4.191867  5.403097       6.633456  106.7494       73.55344 
1 1 1 -3  15  4  o 89.74689 38.41078 -2.458222      3.460968  3.914973       4.279691  -55.34998      65.46351 
1 1 1 -3  15  5  o 75.57686 34.93266 0.5035865      3.499338  -5.934976      4.324057  21.02700       59.81442 
1 1 1 -3  15  6  o 219.4115 31.33088 10.61405       3.719894  11.79078       4.754719  -8.440186      65.33010 
1 1 1 -3  15  7  o 298.2503 25.02796 23.85940       4.303167  14.98429       4.937527  74.21088       55.98717 
1 1 1 -3  15  8  o 106.6572 40.90319 3.382714       3.514465  -0.7660694E-01 4.148500  21.00326       66.72690 
1 1 1 -3  15  9  o 118.2248 41.81441 3.460988       3.666667  2.382944       4.015238  6.679222       69.00865 
1 1 1 -3  15  10 o 141.2995 41.72206 3.232661       3.871614  6.425401       3.947601  -32.32410      70.41725 
1 1 1 -3  15  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  15  12 o 134.2584 41.11332 5.092235       3.887975  3.568054       3.617558  16.77034       69.51302 
1 1 1 -3  15  13 o 318.3235 32.14216 32.23877       5.540418  8.022151       7.360355  191.1959       76.30217 
1 1 1 -3  15  14 o 110.7134 42.38020 1.564070       4.163482  3.056487       3.975168  -9.946289      69.32980 
1 1 1 -3  15  15 o 142.7663 41.69221 5.928634       4.141908  4.585194       3.733539  14.05176       71.32721 
1 1 1 -3  15  16 o 125.1652 42.00374 6.792803       4.067894  1.733753       3.657134  47.01838       68.62125 
1 1 1 -3  15  17 o 126.3257 42.67196 4.811514       4.171552  3.889773       3.793851  8.693016       70.18229 
1 1 1 -3  15  18 o 109.2620 41.67565 0.5909591      4.376052  4.816405       3.586442  -26.52666      65.92300 
1 1 1 -3  15  19 o 79.42702 35.72833 -2.309610      4.026814  1.926793       3.422337  -16.60717      57.89163 
1 1 1 -3  15  20 o 83.58862 36.88752 1.744019       4.147054  0.3229826      3.435256  11.61134       59.55819 
1 1 1 -3  15  21 o 78.18137 35.67634 1.007412       4.184412  0.3970683E-01  3.568169  7.508636       57.14445 
1 1 1 -3  15  22 o 71.62190 33.28505 -0.2200204     4.093066  0.1391856      3.199335  3.524590       53.39101 
1 1 1 -3  15  23 o 83.26794 36.50085 4.433883       3.959524  0.5246285      3.334797  19.57966       56.79733 
1 1 1 -3  15  24 o 87.42327 36.94417 1.791396       3.898504  3.682926       3.118921  -9.960907      55.67037 
1 1 1 -3  16  1  o 101.0269 41.35838 1.022355       4.222940  1.066984       4.031465  1.818710       68.50271 
1 1 1 -3  16  2  o 82.92234 37.08825 -1.149173      3.828694  -0.7558788     4.001530  -4.620148      62.89070 
1 1 1 -3  16  3  o 369.2280 22.26195 32.44140       4.990375  28.42751       5.164476  25.82126       45.50846 
1 1 1 -3  16  4  o 92.59398 39.21464 1.624328       3.727664  -1.171300      4.086156  14.47048       65.09103 
1 1 1 -3  16  5  o 91.81345 39.34613 -0.8161335     3.663601  1.530166       4.458158  -24.89140      66.53747 
1 1 1 -3  16  6  o 149.8545 43.88240 4.119142       3.712719  8.181430       5.450771  -44.06996      76.96907 
1 1 1 -3  16  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  16  8  o 101.6053 41.52361 2.737252       3.779884  -1.217931      4.650025  17.50685       68.07604 
1 1 1 -3  16  9  o 360.8435 24.26346 32.73278       5.251955  25.57132       5.560292  47.90598       50.65162 
1 1 1 -3  16  10 o 240.7913 32.15242 11.78509       4.464497  15.46569       4.936192  -33.41504      66.68964 
1 1 1 -3  16  11 o 209.7090 51.28387 11.07715       4.677508  0.000000       0.000000  ?              ?        
1 1 1 -3  16  12 o 328.4195 26.54567 15.16352       5.383018  33.91086       5.341181  -138.6183      61.04393 
1 1 1 -3  16  13 o 153.9238 51.39328 6.013587       4.072086  0.000000       0.000000  ?              ?        
1 1 1 -3  16  14 o 234.2073 30.82807 10.09562       4.362218  16.00272       4.378167  -59.60626      65.16959 
1 1 1 -3  16  15 o 115.4332 42.49564 4.200205       4.264208  2.277349       3.785763  17.99797       69.51423 
1 1 1 -3  16  16 o 235.1684 30.97315 14.38930       4.582623  12.95349       4.253042  10.54259       66.55410 
1 1 1 -3  16  17 o 80.30589 36.13971 0.4441411      3.909791  -0.8035097     3.658834  8.943001       59.67727 
1 1 1 -3  16  18 o 140.2883 42.56102 9.379383       4.246938  3.413748       3.836836  50.64970       70.06109 
1 1 1 -3  16  19 o 118.5012 43.78320 9.070629       4.548947  0.9859471      4.014112  56.30589       69.24387 
1 1 1 -3  16  20 o 72.70789 34.08296 -2.344389      4.100025  0.6795394      3.676493  -9.051865      55.32640 
1 1 1 -3  16  21 o 91.57366 38.83128 3.482652       4.284572  2.096318       3.490191  8.099503       60.26766 
1 1 1 -3  16  22 o 67.47539 32.19854 -4.059007      4.166877  1.356932       3.448767  -13.98643      51.83926 
1 1 1 -3  16  23 o 74.96757 34.50738 3.475493       4.188285  -0.3002769     3.347948  16.56482       54.15843 
1 1 1 -3  16  24 o 111.8819 41.49514 6.417591       4.215802  5.694135       3.533484  -1.322311      61.62091 
1 1 1 -3  17  1  o 93.31792 41.29594 4.454886       4.970654  -5.049408      4.504580  60.29679       70.25201 
1 1 1 -3  17  2  o 426.2191 23.86010 40.69307       6.215784  40.67295       6.352962  0.5127258      48.47541 
1 1 1 -3  17  3  o 257.7754 33.49884 15.77767       5.092896  14.84167       5.378816  9.927521       69.84911 
1 1 1 -3  17  4  f 107.1855 45.64437 2.299355       4.372468  -4.754145      7.413317  4.707970       76.53521 
1 1 1 -3  17  5  o 201.0040 38.81451 8.966866       4.435818  10.39676       4.932449  -13.62868      75.02297 
1 1 1 -3  17  6  o 252.1202 33.04763 16.24409       4.691062  12.61286       5.491305  37.80310       70.38351 
1 1 1 -3  17  7  o 112.7246 44.46377 1.899957       4.085371  2.087945       5.316467  -12.63436      74.01538 
1 1 1 -3  17  8  o 237.9573 34.28870 12.45354       4.456235  14.38997       5.554032  -13.35573      71.50639 
1 1 1 -3  17  9  o 203.0814 42.11328 9.208296       4.625456  11.28225       5.849424  -17.32039      80.60600 
1 1 1 -3  17  10 o 293.0010 51.25168 0.000000       0.000000  21.52307       6.347108  ?              ?        
1 1 1 -3  17  11 o 77.29848 36.27391 0.3554597E-01  4.281647  -5.772893      4.539406  22.85125       62.58337 
1 1 1 -3  17  12 o 127.2821 46.50237 2.079663       4.708056  5.406126       4.855239  -25.66324      75.84190 
1 1 1 -3  17  13 o 216.2975 52.83322 12.85196       4.968803  0.000000       0.000000  ?              ?        
1 1 1 -3  17  14 o 143.4863 42.70101 8.384514       4.297830  3.065668       3.895266  50.48342       71.27464 
1 1 1 -3  17  15 o 110.6388 41.53592 5.365965       4.076977  0.9889530      3.675230  36.37202       67.31413 
1 1 1 -3  17  16 o 86.85949 37.98555 0.1839346E-01  4.009712  1.038108       3.773561  -3.839958      61.91034 
1 1 1 -3  17  17 o 142.2312 42.07913 8.290381       4.242093  4.505483       3.749491  31.83477       70.80225 
1 1 1 -3  17  18 o 89.79053 38.56178 0.5771762      4.076640  2.322122       3.675060  -7.624435      61.31638 
1 1 1 -3  17  19 o 111.7430 42.57414 4.079251       4.213407  4.344429       3.978506  -1.899712      66.52909 
1 1 1 -3  17  20 o 94.00958 40.06541 2.535864       4.315490  3.008445       3.930432  -1.854340      61.70826 
1 1 1 -3  17  21 o 101.7400 41.07997 3.325070       4.196600  4.875222       3.833828  -9.053619      62.06130 
1 1 1 -3  17  22 o 85.43059 37.99371 5.209936       4.407873  0.7666547      3.759613  18.24052       58.08202 
1 1 1 -3  17  23 o 62.81953 30.60582 -0.5797490     4.130410  -1.606930      3.616330  5.034836       48.75397 
1 1 1 -3  18  1  o 101.3123 44.17933 2.462302       5.722883  -1.973110      4.837000  32.91968       74.67905 
1 1 1 -3  18  2  o 208.5899 40.84829 12.73339       5.058949  8.155852       5.134406  44.90491       77.75677 
1 1 1 -3  18  3  o 74.67326 36.20193 -2.209378      5.106840  -9.368959      5.315485  22.09605       64.41084 
1 1 1 -3  18  4  o 461.0171 23.64380 45.78999       6.550488  50.01671       6.944852  -19.88712      48.08740 
1 1 1 -3  18  5  f 403.1472 24.71135 36.42652       5.985527  36.94301       6.329114  -1.649963      50.52340 
1 1 1 -3  18  6  o 473.9951 23.10997 46.35224       6.546721  55.33358       7.027884  -42.14523      46.99718 
1 1 1 -3  18  7  o 72.23183 35.42500 -7.409326      4.650534  -6.008416      6.734394  -27.59007      65.58497 
1 1 1 -3  18  8  o 242.6450 36.83810 19.97370       5.153197  6.980908       5.618442  119.3470       73.46341 
1 1 1 -3  18  9  o 162.7360 45.92844 4.093528       4.324847  11.09286       5.590314  -64.49727      78.92304 
1 1 1 -3  18  10 o 310.3661 30.46794 29.34772       5.544205  14.40903       6.072539  122.5251       70.38421 
1 1 1 -3  18  11 o 184.4849 44.17420 10.42784       4.554086  6.374084       5.576390  39.35088       78.89002 
1 1 1 -3  18  12 o 200.9454 49.27029 9.302650       6.935913  12.09234       5.498620  -28.39511      88.26346 
1 1 1 -3  18  13 o 143.3216 49.71825 7.805161       4.550533  0.7777599      7.005544  37.37199       78.80577 
1 1 1 -3  18  14 o 97.16708 42.49357 5.993666       5.518028  -2.450746      4.397505  51.48903       71.28638 
1 1 1 -3  18  15 f 101.5484 41.57953 5.124625       4.049330  -1.148907      4.300070  38.03078       66.15096 
1 1 1 -3  18  16 o 116.5212 43.06614 7.253499       4.230741  1.272563       4.015413  43.35538       68.20943 
1 1 1 -3  18  17 o 68.54527 32.73151 0.8985840      4.050560  -4.328309      3.759198  22.55737       55.38958 
1 1 1 -3  18  18 o 58.32033 28.86398 -4.729337      3.919068  -3.945376      3.839554  -1.456589      49.45536 
1 1 1 -3  18  19 o 77.93280 35.46863 1.573843       3.913301  -0.1506595     3.629114  9.061592       56.41191 
1 1 1 -3  18  20 o 108.5639 42.46967 8.045687       4.394836  2.504971       3.941660  29.28966       64.73719 
1 1 1 -3  18  21 o 83.21163 37.59763 0.1236922E-02  4.380993  3.723863       3.928819  -13.63824      57.32571 
1 1 1 -3  18  22 o 64.93062 31.48357 2.980020       4.287381  -3.365165      3.670042  19.89912       50.75512 
1 1 1 -3  18  23 o 69.27014 33.08181 0.5160420      4.319820  1.009354       3.714775  -0.1882706     50.37350 
1 1 1 -3  19  1  o 147.0989 51.52925 6.324322       6.218852  4.554319       5.463955  15.32790       84.83286 
1 1 1 -3  19  2  o 85.94181 39.59740 -3.133472      4.864379  -0.7621769     4.909222  -11.31489      67.30847 
1 1 1 -3  19  3  o 226.0869 39.54842 8.732776       5.173422  16.75598       5.534056  -74.10895      77.26540 
1 1 1 -3  19  4  o 349.3753 28.16569 26.01383       5.854916  30.59945       6.271554  -28.55334      58.60380 
1 1 1 -3  19  5  o 176.8936 43.83134 7.999619       4.698702  7.804946       4.875997  2.060181       78.63179 
1 1 1 -3  19  6  o 109.7627 43.99770 1.905507       4.441278  1.991185       4.680048  -2.563660      72.06152 
1 1 1 -3  19  7  o 117.2041 45.24612 2.652811       4.633424  2.801733       4.690947  -1.456551      73.86684 
1 1 1 -3  19  8  o 88.99100 39.93943 -2.339784      4.168428  1.698247       5.142081  -30.92353      68.15880 
1 1 1 -3  19  9  o 121.9994 46.12762 4.129152       4.276689  1.969824       5.516957  7.383118       75.06669 
1 1 1 -3  19  10 o 95.92908 41.78677 2.839936       4.053755  -4.365618      5.668560  21.64017       68.02387 
1 1 1 -3  19  11 o 106.3894 43.82141 0.7473414      4.143865  3.978424       5.454082  -27.96658      72.50990 
1 1 1 -3  19  12 o 105.2040 48.87656 0.000000       0.000000  -1.079343      5.428723  ?              ?        
1 1 1 -3  19  13 o 134.3089 46.83195 6.749502       4.483755  3.227044       5.172839  24.57236       75.07528 
1 1 1 -3  19  14 o 156.4569 47.09818 5.376637       4.512244  10.89018       5.529702  -39.04329      79.30036 
1 1 1 -3  19  15 o 108.4673 42.66496 4.104644       3.914636  2.509231       4.578050  8.631676       67.20615 
1 1 1 -3  19  16 o 115.8661 44.04372 3.967045       4.118932  5.029520       4.678118  -6.474106      69.25320 
1 1 1 -3  19  17 o 101.2439 42.25140 2.987471       4.273267  3.218648       4.578159  -1.692383      65.69198 
1 1 1 -3  19  18 o 88.37640 39.11167 1.314401       4.226641  2.613836       4.243317  -5.797211      60.71058 
1 1 1 -3  19  19 o 64.12753 31.12765 -0.1050972     4.006768  -3.208907      3.767309  10.84334       50.92273 
1 1 1 -3  19  20 o 81.98270 36.77547 5.047231       4.143477  -0.3887879     3.656377  23.79333       57.20827 
1 1 1 -3  19  21 o 69.05233 33.12905 0.5581720E-01  4.335384  0.2650960      3.891339  0.6804504      51.25473 
1 1 1 -3  19  22 o 84.73608 37.93848 1.907078       4.266831  4.898952       3.960289  -11.04782      55.51001 
1 1 1 -3  20  1  o 89.11790 41.51792 -4.501969      6.049479  -0.5443916     5.237822  -7.833298      69.80527 
1 1 1 -3  20  2  o 101.3923 43.87386 -0.8161914     5.189565  2.061154       4.959610  -13.29751      71.92108 
1 1 1 -3  20  3  o 166.3224 45.98636 10.72276       4.800770  3.713628       5.013005  61.69499       76.74987 
1 1 1 -3  20  4  o 160.3397 48.18525 9.168676       4.999324  4.348374       5.377751  39.27946       80.07178 
1 1 1 -3  20  5  o 67.20366 33.41028 -7.359481      4.576041  -10.25160      7.033051  -17.60783      61.13571 
1 1 1 -3  20  6  o 98.64603 42.25460 1.890782       4.684887  -0.1610718     4.543608  12.93453       69.35447 
1 1 1 -3  20  7  o 107.8144 43.93671 -0.6640041     4.520262  4.996971       4.744195  -37.59593      71.33096 
1 1 1 -3  20  8  o 79.55017 37.49336 -0.7350715     4.411057  -5.174811      5.306246  8.243217       63.49542 
1 1 1 -3  20  9  o 110.2202 44.18865 4.157496       4.447200  0.6356028      4.761761  20.52992       71.05354 
1 1 1 -3  20  10 o 88.76037 40.12230 -0.9354107     4.122445  0.6576116      5.674575  -19.52172      67.49586 
1 1 1 -3  20  11 o 177.0389 46.19361 11.52633       4.656471  5.361329       5.773028  56.04794       78.15603 
1 1 1 -3  20  12 o 118.5579 52.91805 0.000000       0.000000  2.933398       5.601264  ?              ?        
1 1 1 -3  20  13 o 97.68005 42.49030 3.544046       4.250750  -1.529135      5.661848  16.28072       67.13871 
1 1 1 -3  20  14 o 109.6869 45.57956 4.287112       4.606455  2.816805       5.824125  5.316437       70.70633 
1 1 1 -3  20  15 o 88.95808 40.48045 1.368968       4.464206  0.7419842E-01  5.493501  0.5303650      64.21656 
1 1 1 -3  20  16 o 73.31728 34.83232 -1.293607      3.976954  -1.022546      4.715812  -5.536911      56.84475 
1 1 1 -3  20  17 o 90.08579 39.89384 2.782977       4.200638  1.591921       4.661112  4.095192       61.45304 
1 1 1 -3  20  18 o 75.79558 35.88130 -3.427637      4.254624  4.829309       4.754755  -27.89507      57.66472 
1 1 1 -3  20  19 o 65.65616 32.02840 -2.049400      4.259809  -0.9154782     4.243570  -2.839439      51.09586 
1 1 1 -3  20  20 o 55.24450 27.71061 -3.754299      4.094361  -4.591576      4.139205  1.370499       45.58045 
1 1 1 -3  20  21 o 67.82323 32.65296 1.970510       4.113091  -1.131187      4.006873  8.497581       50.22326 
1 1 1 -3  20  22 o 74.54387 35.23931 0.1701597      4.464741  4.504608       4.145796  -11.29990      51.78100 
1 1 1 -3  21  1  o 136.2199 56.43173 -1.502079      8.733750  9.735639       7.111171  -41.31419      87.31677 
1 1 1 -3  21  2  o 117.6901 50.01212 -1.144992      6.177232  7.021108       6.584142  -39.44224      80.38736 
1 1 1 -3  21  3  o 99.53037 44.17180 -2.856384      5.350340  4.015572       5.532490  -32.87527      72.44207 
1 1 1 -3  21  4  o 176.2889 47.16390 10.60681       5.111211  6.814808       5.419241  33.51021       81.48107 
1 1 1 -3  21  5  o 98.02799 42.88990 -1.152969      5.029974  2.554382       4.892253  -17.58115      69.82645 
1 1 1 -3  21  6  o 89.86263 40.54883 3.381293       4.851807  -3.816886      4.735775  35.01981       67.29694 
1 1 1 -3  21  7  o 134.0329 50.24939 6.409983       4.970474  2.850649       6.702009  17.05875       79.75650 
1 1 1 -3  21  8  o 109.2921 44.52784 5.439947       4.600438  -0.5467052     4.919874  33.71417       70.81615 
1 1 1 -3  21  9  o 94.93812 41.24423 -0.5667274     4.145686  3.534180       5.011152  -27.02043      67.67001 
1 1 1 -3  21  10 o 132.5646 46.48891 7.167772       4.428971  3.153909       5.091296  28.15358       73.78156 
1 1 1 -3  21  11 o 115.3587 45.74810 5.883306       4.277720  0.6154308      5.817156  25.27071       70.86666 
1 1 1 -3  21  12 o 95.25101 43.84557 2.889379       5.983157  -1.025105      5.960280  12.90636       69.27203 
1 1 1 -3  21  13 o 98.78108 42.71979 1.872449       4.321962  3.234301       5.488351  -9.391289      67.39543 
1 1 1 -3  21  14 o 81.48583 38.27176 1.366148       4.535759  -3.077717      5.426503  10.03363       61.32125 
1 1 1 -3  21  15 o 80.42012 37.90237 1.871338       4.511845  -3.047801      5.414070  11.36800       60.06001 
1 1 1 -3  21  16 o 115.1104 46.86715 5.855197       4.833455  6.386594       5.824935  0.7708359      69.57708 
1 1 1 -3  21  17 o 79.26491 37.10507 0.9048284      4.166883  1.384276       5.093644  -3.586800      57.25343 
1 1 1 -3  21  18 o 91.56286 40.13366 3.686582       3.979951  3.600559       4.875360  1.261017       59.56168 
1 1 1 -3  21  19 f 69.14098 33.62912 1.632417       4.366286  -2.690310      4.857218  8.640648       52.10296 
1 1 1 -3  21  20 o 64.73026 31.75039 -2.297714      4.200535  1.434530       4.521243  -8.942436      49.32579 
1 1 1 -3  21  21 o 67.60244 32.84275 0.5910203      4.230546  1.371675       4.471240  -1.975952      49.18503 
1 1 1 -3  22  1  o 120.0670 55.39352 1.823847       10.32169  2.272791       9.024701  1.780930       86.52048 
1 1 1 -3  22  2  o 119.6956 55.11396 2.304982       10.13871  1.995574       8.877123  3.589775       86.14071 
1 1 1 -3  22  3  o 93.39960 44.48223 -11.06036      9.698624  0.9211810      5.866449  -8.150169      72.52361 
1 1 1 -3  22  4  o 100.4933 44.69016 1.578348       4.856466  0.6010640      6.825751  -5.162567      71.97167 
1 1 1 -3  22  5  o 103.4488 47.46231 3.808397       6.761147  -2.426080      7.086844  18.50026       75.47583 
1 1 1 -3  22  6  o 121.6172 51.53485 0.2086050      6.647007  8.962125       6.821166  -35.99865      80.28304 
1 1 1 -3  22  7  o 144.1186 56.12819 6.411720       7.004005  9.861913       7.462003  -14.36430      86.02049 
1 1 1 -3  22  8  o 144.0067 55.63505 6.030630       6.771063  10.71663       7.372007  -19.65202      85.26962 
1 1 1 -3  22  9  o 104.3837 44.26472 1.240090       4.604292  4.967513       5.447373  -20.42653      70.18667 
1 1 1 -3  22  10 o 96.53217 42.05114 -1.819939      4.350140  7.259137       5.211123  -47.54032      68.40024 
1 1 1 -3  22  11 o 91.16773 40.80437 -0.3397769     4.531388  3.131106       4.990400  -16.83357      65.07430 
1 1 1 -3  22  12 o 79.59324 37.80877 1.642659       4.998297  -3.973081      5.128645  16.90746       61.34785 
1 1 1 -3  22  13 o 73.83336 35.47689 -2.239951      4.220215  -0.4630065     5.506958  -11.95901      58.16885 
1 1 1 -3  22  14 o 89.76804 40.42817 -0.1557793E-01 4.148294  6.116327       5.681239  -25.11938      64.03728 
1 1 1 -3  22  15 o 85.49075 39.44165 -1.154250      4.306250  7.167513       5.739080  -28.80037      62.46287 
1 1 1 -3  22  16 o 70.93015 34.51902 -2.341286      4.331076  1.606311       5.638029  -12.99372      54.88148 
1 1 1 -3  22  17 o 76.92265 36.37775 1.734989       4.184447  0.2775891      5.132943  2.254005       55.45439 
1 1 1 -3  22  18 o 73.78749 35.24226 0.5187976E-01  4.003415  3.279679       5.315787  -9.536926      53.74121 
1 1 1 -3  22  19 o 66.81816 32.84527 -1.473834      4.402076  1.753703       5.163693  -7.542007      50.28370 
1 1 1 -3  22  20 o 73.95140 35.37077 1.906332       4.273078  3.822294       4.990641  -3.877586      51.41108 
1 1 1 -3  23  1  o 101.5567 46.02386 1.046201       6.546477  2.096773       5.997021  -1.836555      72.30725 
1 1 1 -3  23  2  o 78.83427 37.92828 -4.179648      5.715615  -1.416204      5.226348  -4.804230      62.60390 
1 1 1 -3  23  3  o 75.47061 36.66710 -0.3884666     5.483345  -6.592763      5.356348  17.96579       61.67488 
1 1 1 -3  23  4  o 105.3889 46.31936 1.203937       5.699063  4.025758       5.999565  -12.03623      72.61546 
1 1 1 -3  23  5  f 105.8217 50.13247 -3.887480      9.146541  5.118181       8.461177  -17.72861      77.96296 
1 1 1 -3  23  6  o 106.6336 49.00587 8.346676       7.352380  -4.051133      7.485777  35.01924       76.78558 
1 1 1 -3  23  7  o 74.71272 37.33392 -5.792409      7.002714  -9.945839      7.304301  5.314095       62.50521 
1 1 1 -3  23  8  o 102.8739 47.69466 2.345578       7.152339  1.818585       7.357454  1.011307       73.46136 
1 1 1 -3  23  9  o 77.07956 37.63435 -3.895322      4.700910  -0.5833293     9.108432  -24.33254      64.50597 
1 1 1 -3  23  10 o 110.5991 46.49186 3.358383       4.550187  7.370054       7.058285  -14.35715      72.17252 
1 1 1 -3  23  11 o 92.89992 43.61038 3.103529       5.995021  -0.2756960     6.841264  7.041100       66.80545 
1 1 1 -3  23  12 o 114.2936 50.16491 6.872435       6.242096  6.698475       7.631256  3.070503       72.78334 
1 1 1 -3  23  13 o 132.8000 53.45922 13.98119       6.689591  6.893044       6.825583  24.72960       75.93356 
1 1 1 -3  23  14 o 86.26320 41.39094 6.493697       6.284932  -2.259862      6.514977  17.45437       62.16445 
1 1 1 -3  23  15 o 85.07518 41.71934 6.675067       7.288359  -2.280118      7.730381  12.59631       61.58256 
1 1 1 -3  23  16 o 67.66264 33.99408 -5.932920      6.998017  -1.947089      5.807779  -2.121223      53.19261 
1 1 1 -3  23  17 o 70.02769 34.39582 1.918519       4.704103  -2.091993      5.788376  5.497620       51.89983 
1 1 1 -3  23  18 o 62.37009 30.89435 -3.019031      4.000587  2.031129       5.181456  -12.19705      48.57330 
1 1 1 -3  23  19 o 68.32937 33.31654 2.226748       4.188196  0.3763593      5.121242  3.010857       49.13366 
1 1 1 -3  24  1  o 94.18171 44.51431 6.328157       7.550455  -3.930193      6.313535  29.86496       71.57532 
1 1 1 -3  24  2  o 79.06874 38.36657 -3.817952      5.871108  -1.163748      5.895079  -6.558731      62.24926 
1 1 1 -3  24  3  o 82.36505 39.27602 -3.330565      5.458736  1.612514       5.688567  -14.93429      63.19660 
1 1 1 -3  24  4  f 81.02603 38.82209 -3.761504      5.526162  1.362126       5.640732  -14.45737      62.55101 
1 1 1 -3  24  5  o 85.66921 40.40622 -4.577261      5.393548  5.273590       5.808483  -31.23782      65.32111 
1 1 1 -3  24  6  o 77.06665 38.00650 -6.102083      5.341126  2.741411       9.115020  -28.24250      64.77801 
1 1 1 -3  24  7  o 84.60162 39.30018 3.074877       4.875801  -2.013895      5.051505  16.59348       62.01935 
1 1 1 -3  24  8  o 92.21178 41.41849 3.281680       4.826254  1.084654       5.053345  7.808655       63.76890 
1 1 1 -3  24  9  o 65.74932 32.51269 -4.553572      4.639380  -2.855472      5.169590  -6.825371      53.74141 
1 1 1 -3  24  10 o 68.04589 34.29108 -4.571505      6.582135  -9.217855      6.816632  5.349899       55.88891 
1 1 1 -3  24  11 o 84.21896 41.10078 0.8827195      6.482855  0.3447559      7.723404  -0.6933212     62.20295 
1 1 1 -3  24  12 o 84.97885 41.62434 2.567617       7.204661  0.2334717      7.612460  3.208778       62.03582 
1 1 1 -3  24  13 o 78.86440 39.11645 6.535871       7.193832  -7.843809      7.346586  19.86369       60.28162 
1 1 1 -3  24  14 o 79.26364 39.19658 -0.8585414     6.410316  3.224505       8.071005  -6.789452      58.76807 
1 1 1 -3  24  15 o 65.33395 33.25370 -5.381395      6.763746  -5.616508      8.239236  -2.441010      51.57584 
1 1 1 -3  24  16 f 64.65549 32.60551 -2.043714      4.819552  -4.916181      9.781179  -4.741013      50.36021 
1 1 1 -3  24  17 o 60.67264 30.62982 -3.809080      4.642041  -0.8363414     7.032194  -7.889256      47.83636 
1 1 1 -3  24  18 o 71.49319 35.25454 5.836332       5.025661  -1.976822      6.439454  10.99266       50.77740 
1 1 1 -3  25  1  o 99.08395 46.27077 -5.375253      7.393811  9.618011       6.701888  -36.20168      71.04186 
1 1 1 -3  25  2  o 83.13359 39.84480 2.244080       6.065151  -2.595100      5.731235  12.93356       62.79866 
1 1 1 -3  25  3  o 75.29874 36.80832 -3.668488      5.508527  -0.8958839     5.912946  -7.806068      59.23692 
1 1 1 -3  25  4  o 81.01321 38.87687 2.755961       5.622078  -4.138990      5.673127  17.44195       61.82647 
1 1 1 -3  25  5  o 95.86977 43.57463 0.3884826      5.590012  5.312818       5.725425  -15.98078      66.53049 
1 1 1 -3  25  6  o 78.30621 38.79078 0.2552976E-01  5.852823  -12.01266      9.585833  5.757950       61.34576 
1 1 1 -3  25  7  o 83.99804 39.83627 5.646865       5.715338  -3.810604      5.444580  26.22706       62.81601 
1 1 1 -3  25  8  o 60.25290 30.26728 -6.470524      4.952876  -5.424434      5.052366  -2.461433      50.60092 
1 1 1 -3  25  9  o 84.03672 39.43804 4.526163       5.042809  -1.966936      5.390659  17.74783       60.56279 
1 1 1 -3  25  10 o 82.34926 38.87561 5.908474       4.887350  -4.269637      5.570602  26.16805       59.84217 
1 1 1 -3  25  11 o 95.39697 42.50166 5.424389       4.828952  3.380558       5.387377  7.396332       62.00130 
1 1 1 -3  25  12 f 71.69898 35.39581 0.1316522      4.940919  -2.025007      6.978856  -0.2716446     54.14500 
1 1 1 -3  25  13 o 78.01180 37.32637 2.142184       4.602853  2.605008       5.868630  -1.281281      55.09257 
1 1 1 -3  25  14 o 72.39238 35.35537 2.618540       4.911328  -0.8337029     5.605259  5.698822       52.75567 
1 1 1 -3  25  15 o 62.21533 31.02741 -1.029328      4.441391  -2.173065      5.347780  -0.2863922     47.87295 
1 1 1 -3  25  16 o 67.69894 33.62277 2.918830       4.996463  -1.588279      6.025890  5.627937       49.52384 
1 1 1 -3  26  2  o 95.98964 44.44737 5.234768       6.498505  2.078639       6.062706  8.171265       66.24526 
1 1 1 -3  26  3  o 73.05565 36.13511 -3.723593      6.039038  -1.870739      6.052950  -3.369057      57.37576 
1 1 1 -3  26  4  o 77.86440 38.04447 3.489414       5.954094  -5.768273      6.189156  17.76084       59.82704 
1 1 1 -3  26  5  o 70.39223 34.96287 -2.457678      5.794968  -4.096531      5.980924  2.185516       55.70245 
1 1 1 -3  26  6  o 117.5408 51.88162 13.62142       6.209258  0.7780285      9.740859  35.93768       71.75033 
1 1 1 -3  26  7  o 79.72905 38.59711 -1.854319      5.704230  3.621327       6.040872  -11.74698      58.99907 
1 1 1 -3  26  8  o 69.59466 34.43629 1.484742       5.630773  -5.108516      5.396273  12.66284       54.44835 
1 1 1 -3  26  9  o 93.61676 42.40970 3.628563       5.210475  5.875664       5.402971  -6.132065      61.36699 
1 1 1 -3  26  10 o 92.09889 42.30680 8.703469       5.104553  -0.2746212     6.056761  24.05810       61.06466 
1 1 1 -3  26  11 o 73.17027 35.45158 2.034924       4.690695  -0.4913586     5.317482  4.502663       53.40763 
1 1 1 -3  26  12 o 64.90186 32.20776 -1.480465      4.660789  -0.7475666     5.307052  -2.721069      49.67302 
1 1 1 -3  26  13 o 61.95813 30.88403 0.8803244      4.567309  -4.215720      4.985287  7.398663       47.78521 
1 1 1 -3  26  14 o 69.44017 35.65837 0.000000       0.000000  -0.3339815     7.377047  ?              ?        
1 1 1 -3  27  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -3  27  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -25 1  o 117.5232 54.43579 7.587347       9.393782  2.608796       9.436090  10.51395       81.27092 
1 1 1 -2  -25 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -24 1  o 110.6014 52.05887 -0.8567156     9.035355  4.250694       9.359548  -11.65204      80.67050 
1 1 1 -2  -24 2  o 112.9770 52.70216 10.73877       9.085953  -5.140389      9.055756  36.45374       82.01858 
1 1 1 -2  -24 3  o 124.7115 56.39946 5.201905       9.010544  6.191448       9.692444  -2.595848      84.71421 
1 1 1 -2  -24 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -23 1  o 131.3647 57.09239 -1.771315      8.415478  14.15424       8.934430  -52.05093      88.74461 
1 1 1 -2  -23 2  o 131.4529 56.48291 -4.733182      8.429893  15.45277       8.156774  -70.39191      87.47960 
1 1 1 -2  -23 3  o 99.03773 48.09860 -4.167710      9.121147  -2.824904      9.490402  -3.799896      77.45244 
1 1 1 -2  -23 4  o 98.55325 48.17750 -1.977363      9.599923  -6.102030      9.944144  5.838722       77.20739 
1 1 1 -2  -23 5  o 111.2874 53.49224 13.56401       11.92855  -9.264710      9.927954  43.93420       86.32754 
1 1 1 -2  -22 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -22 2  o 118.6177 54.96641 0.4426821      9.628223  1.612621       9.601441  -2.835098      86.77074 
1 1 1 -2  -22 3  o 140.6994 65.97707 0.000000       0.000000  6.413859       10.27153  ?              ?        
1 1 1 -2  -22 4  o 138.6133 61.85737 0.2196739E-01  11.41396  11.27315       10.30667  -27.33044      94.14390 
1 1 1 -2  -22 5  o 127.3297 58.97897 6.845885       11.56377  1.313751       10.60369  12.78852       90.50398 
1 1 1 -2  -22 6  o 95.16975 46.90271 -8.012567      9.142610  -4.570079      10.80018  -11.68305      77.10040 
1 1 1 -2  -22 7  o 121.8973 58.77819 0.000000       0.000000  1.485673       9.386642  ?              ?        
1 1 1 -2  -21 1  o 103.1733 49.48820 0.5608000      9.402207  -8.922982      8.875230  25.03584       82.77806 
1 1 1 -2  -21 2  o 109.4518 52.62080 4.648422       11.57882  -11.24395      9.605927  42.61462       89.34996 
1 1 1 -2  -21 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -21 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -21 5  o 125.7388 58.82986 9.478613       12.41175  -4.025979      10.66745  31.49259       93.20293 
1 1 1 -2  -21 6  f 141.7533 61.17265 8.499174       9.263281  3.458279       10.45400  14.28780       93.91383 
1 1 1 -2  -21 7  o 107.7905 53.10551 0.000000       0.000000  -6.043452      8.921601  ?              ?        
1 1 1 -2  -21 8  o 120.9388 54.17513 9.840594       7.938173  -5.196424      8.910097  43.42949       84.68233 
1 1 1 -2  -20 1  o 258.7159 61.58306 28.10727       9.684361  10.28548       9.796736  113.6708       106.0674 
1 1 1 -2  -20 2  o 126.1351 57.04192 10.81973       11.50237  -4.704334      8.336501  60.81018       96.60696 
1 1 1 -2  -20 3  o 164.9271 67.32155 13.99861       11.94587  4.547110       10.06816  34.55652       105.9657 
1 1 1 -2  -20 4  o 114.3338 54.43070 -8.787663      11.41572  0.5711444E-01  9.950129  -12.83323      89.22679 
1 1 1 -2  -20 5  o 129.2440 59.34121 4.785732       11.65833  -1.303135      10.17623  19.47366       94.77745 
1 1 1 -2  -20 6  o 162.6887 77.18127 10.77299       14.82192  0.000000       0.000000  ?              ?        
1 1 1 -2  -20 7  f 158.0207 72.15329 10.88841       14.99310  8.618876       16.60238  3.920456       107.3528 
1 1 1 -2  -20 8  o 108.6990 50.03109 8.268360       7.908960  -7.216008      7.643495  49.70192       81.86642 
1 1 1 -2  -20 9  o 177.4768 60.79054 8.908594       7.646894  14.38076       8.546429  -25.01144      96.63545 
1 1 1 -2  -20 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -19 1  o 198.7966 63.09196 4.720528       9.116708  16.08511       8.400109  -67.29175      102.0628 
1 1 1 -2  -19 2  o 129.3674 56.35381 11.06621       9.273265  -5.741174      7.863071  76.94913       94.12196 
1 1 1 -2  -19 3  o 123.3030 56.91825 7.027102       11.26530  -8.003326      9.334375  53.93878       96.55210 
1 1 1 -2  -19 4  o 213.6855 72.09091 24.58143       12.26996  8.444171       10.57569  70.96791       116.0569 
1 1 1 -2  -19 5  o 141.2880 62.38660 5.338251       11.15065  1.360209       10.32924  14.51381       99.37055 
1 1 1 -2  -19 6  o 166.9819 65.60618 6.207947       9.104651  12.23717       11.05528  -25.35092      103.9221 
1 1 1 -2  -19 7  o 140.7774 61.11980 8.391960       10.19408  1.205140       9.643614  24.44957       96.29251 
1 1 1 -2  -19 8  o 144.8545 62.74643 -2.942223      14.45956  9.167964       8.533488  -21.68820      96.39223 
1 1 1 -2  -19 9  f 154.4131 69.68659 3.210153       14.68223  12.14330       13.69297  -17.82697      105.4108 
1 1 1 -2  -19 10 o 128.4899 63.22808 0.000000       0.000000  -3.516859      12.52224  ?              ?        
1 1 1 -2  -19 11 o 123.3120 57.77498 0.000000       0.000000  1.446597       7.848288  ?              ?        
1 1 1 -2  -18 1  o 146.6607 59.64094 4.083524       8.705866  2.698766       8.320087  8.863266       97.51598 
1 1 1 -2  -18 2  o 161.2303 61.23413 6.596366       8.973783  5.047305       8.001839  12.40097       99.90491 
1 1 1 -2  -18 3  o 147.7457 63.66776 -0.9239553     11.25822  4.994940       10.03083  -15.11053      103.3159 
1 1 1 -2  -18 4  o 189.9364 70.26350 33.20446       12.55633  -4.182736      9.861871  180.3004       108.5768 
1 1 1 -2  -18 5  o 308.0097 93.69137 0.000000       0.000000  35.40404       13.78407  ?              ?        
1 1 1 -2  -18 6  o 117.2970 54.93983 14.09998       12.55240  -10.44262      8.587661  86.14357       98.58768 
1 1 1 -2  -18 7  o 105.9141 50.73569 8.147756       13.85992  -9.547690      7.704381  71.66334       94.80742 
1 1 1 -2  -18 8  o 161.7763 65.32592 2.977889       14.59010  9.525737       8.215005  -12.91495      102.4490 
1 1 1 -2  -18 9  o 135.4722 62.46349 2.368989       12.77135  2.107685       11.68352  2.969055       98.02798 
1 1 1 -2  -18 10 o 113.3529 54.63938 -5.014220      13.07441  -4.115689      10.30774  8.310593       89.23497 
1 1 1 -2  -18 11 o 117.0087 56.66395 -2.386423      14.01835  -4.393464      11.64719  9.422470       90.75263 
1 1 1 -2  -18 12 o 124.5172 58.66452 3.920743       11.92835  -1.830770      11.52945  12.17784       91.91657 
1 1 1 -2  -17 1  o 111.2536 54.63357 -16.33228      9.195054  0.000000       0.000000  ?              ?        
1 1 1 -2  -17 2  o 311.8734 48.72717 29.84016       9.358025  17.42000       8.896700  87.67195       98.63618 
1 1 1 -2  -17 3  o 194.9664 69.96576 13.53815       10.12129  3.968941       11.53211  42.45787       112.8185 
1 1 1 -2  -17 4  o 310.0204 66.78205 24.32258       16.00061  26.18090       10.55891  -32.29013      127.8956 
1 1 1 -2  -17 5  o 310.0844 52.15232 34.02173       10.73700  17.72686       8.877784  101.5285       104.7545 
1 1 1 -2  -17 6  o 133.5055 56.59930 3.326895       8.470796  1.367027       7.822121  12.08780       92.30222 
1 1 1 -2  -17 7  o 135.8936 57.19264 4.772718       8.896666  2.024497       7.645000  17.11322       92.65687 
1 1 1 -2  -17 8  o 114.2265 52.38400 -4.863629      9.481773  1.082318       7.642330  -7.760201      86.18119 
1 1 1 -2  -17 9  o 129.0160 61.65544 -3.928252      9.817404  0.000000       0.000000  ?              ?        
1 1 1 -2  -17 10 o 189.2568 65.76197 3.854171       13.31679  14.89833       7.718212  -48.88109      101.7673 
1 1 1 -2  -17 11 o 117.5635 54.28981 8.200935       12.89427  -3.175791      7.601386  47.29728       92.97215 
1 1 1 -2  -17 12 o 215.6475 74.34483 30.92947       14.21822  12.66293       10.65685  51.66139       117.5238 
1 1 1 -2  -17 13 o 116.1914 55.65508 -5.200857      13.21713  -0.2282284     10.25071  -0.4628448     88.78245 
1 1 1 -2  -16 1  o 81.41875 40.51935 -6.787945      8.809587  -18.47558      7.477849  39.27392       76.37365 
1 1 1 -2  -16 2  o 151.0416 62.72595 9.517005       13.22377  -0.2469027     7.986879  73.46738       109.9818 
1 1 1 -2  -16 3  o 147.2525 66.11549 -16.43109      17.25553  3.107719       10.36287  -9.819168      110.9557 
1 1 1 -2  -16 4  o 560.7063 31.28375 88.86900       11.58905  57.49619       10.21612  124.8307       64.32177 
1 1 1 -2  -16 5  o 180.6751 62.62864 8.215568       8.681274  7.648047       8.449018  4.141922       103.0577 
1 1 1 -2  -16 6  o 179.9571 59.40425 10.82818       8.649379  6.530537       7.006476  31.52759       99.36173 
1 1 1 -2  -16 7  o 134.3636 56.25495 2.000375       8.740651  2.721697       7.215937  5.724655       92.10100 
1 1 1 -2  -16 8  o 428.2618 49.50687 0.000000       0.000000  46.91534       9.128819  ?              ?        
1 1 1 -2  -16 9  o 174.3803 70.58360 14.13870       12.83901  4.581706       11.05941  36.37405       112.0195 
1 1 1 -2  -16 10 o 125.6527 56.46864 1.960723       12.51588  0.2502842      7.601316  25.56699       94.34186 
1 1 1 -2  -16 11 o 134.9825 57.11432 4.515193       9.298313  3.457717       7.489701  9.899139       91.35867 
1 1 1 -2  -16 12 o 126.6188 54.45635 3.389744       8.519588  2.665016       7.109108  8.009079       87.17735 
1 1 1 -2  -16 13 o 116.9525 52.65990 -0.4604732     8.318075  2.963658       7.776858  -9.075737      84.05682 
1 1 1 -2  -16 14 o 169.8023 69.89254 22.73488       13.22056  4.351488       10.84732  52.43517       107.6688 
1 1 1 -2  -15 1  o 525.2773 31.06844 65.37450       13.44808  60.84464       8.403165  4.511414       70.55594 
1 1 1 -2  -15 2  o 272.2908 47.89090 16.95735       8.511051  18.10924       7.232100  -12.75439      95.59638 
1 1 1 -2  -15 3  o 259.6925 55.84158 29.34215       9.698004  7.593895       8.001065  153.5043       97.57511 
1 1 1 -2  -15 4  o 353.7580 41.06686 32.00062       8.970169  25.82632       8.724124  40.64621       86.08176 
1 1 1 -2  -15 5  x ?        ?        -38.62950      8.499112  0.000000       0.000000  ?              ?        
1 1 1 -2  -15 6  o 260.8129 52.71817 14.78628       8.494135  18.41335       7.999082  -29.17632      100.5772 
1 1 1 -2  -15 7  o 182.2022 63.48707 10.95578       9.157628  5.831263       8.489796  31.49094       104.2207 
1 1 1 -2  -15 8  o 368.7494 57.82382 0.000000       0.000000  35.08054       9.045475  ?              ?        
1 1 1 -2  -15 9  o 127.7791 57.30112 -5.533214      11.90956  2.224350       8.016652  -2.299225      94.52421 
1 1 1 -2  -15 10 f 148.4189 59.12169 8.440391       9.245571  3.054734       7.406323  31.30827       96.09480 
1 1 1 -2  -15 11 o 184.1129 60.93931 5.251698       8.520137  13.90819       7.737891  -50.47537      97.92390 
1 1 1 -2  -15 12 o 146.5916 58.79164 -2.501700      8.358961  13.02941       7.936317  -69.34007      92.05383 
1 1 1 -2  -15 13 o 115.5604 52.10488 1.431172       7.898381  -0.2688010     7.894514  5.826706       84.24255 
1 1 1 -2  -15 14 o 103.9050 49.75449 -15.08666      12.01357  0.9512373      7.666352  -11.97460      81.43086 
1 1 1 -2  -15 15 o 104.8608 47.89975 -1.770211      6.711204  2.012750       7.203776  -15.56004      77.86055 
1 1 1 -2  -14 1  o 202.7071 53.58936 7.242692       7.401995  11.76990       6.388991  -33.09888      93.22699 
1 1 1 -2  -14 2  o 436.8665 29.97881 45.06835       8.454247  40.92975       7.742479  20.21448       61.17116 
1 1 1 -2  -14 3  o 340.4785 60.15575 28.15297       8.655499  0.000000       0.000000  ?              ?        
1 1 1 -2  -14 4  o 214.7875 58.83813 8.322458       8.211534  14.13312       7.934294  -41.22902      101.2525 
1 1 1 -2  -14 5  o 160.9594 64.09315 -1.449341      8.024385  17.64410       12.74703  -119.3068      111.0198 
1 1 1 -2  -14 6  o 229.0923 59.31774 21.62022       8.687448  4.918600       8.315520  117.1836       98.57488 
1 1 1 -2  -14 7  o 291.0705 48.63230 20.20575       8.659914  20.36006       8.294548  -2.623169      98.10540 
1 1 1 -2  -14 8  o 217.9891 64.96288 2.875730       12.88588  15.86302       7.805964  -58.87283      107.1732 
1 1 1 -2  -14 9  o 477.3559 34.68400 56.34388       12.65632  51.33143       8.777608  0.9467163      77.54449 
1 1 1 -2  -14 10 o 149.5832 58.47068 9.619126       8.528978  1.344691       7.328504  48.21132       95.37802 
1 1 1 -2  -14 11 o 165.6248 58.69384 5.803537       7.794638  8.959643       7.322620  -17.49843      94.98748 
1 1 1 -2  -14 12 o 137.0019 56.34250 1.122464       7.754519  6.428930       7.642796  -23.96353      90.43990 
1 1 1 -2  -14 13 o 128.7548 54.42908 0.1558076      7.211094  6.529863       7.781568  -30.02312      87.63805 
1 1 1 -2  -14 14 o 285.9380 42.50397 21.99973       7.011019  20.55247       7.651068  20.21249       91.42756 
1 1 1 -2  -14 15 o 124.5636 51.77172 -3.104031      6.452893  10.80087       6.744740  -68.32810      82.49520 
1 1 1 -2  -14 16 o 116.6695 50.29296 2.993322       6.615350  1.972906       6.611168  4.347717       80.16929 
1 1 1 -2  -13 1  o 516.2023 36.02571 60.08404       8.105864  0.000000       0.000000  ?              ?        
1 1 1 -2  -13 2  o 914.4138 21.89266 198.3986       12.72910  172.6581       12.12896  63.69788       44.07001 
1 1 1 -2  -13 3  o 420.1224 36.74082 42.12726       8.086193  35.13575       11.98119  52.71658       86.94485 
1 1 1 -2  -13 4  o 663.6834 23.68286 97.55522       9.083487  98.21572       10.54915  0.3120728      48.30083 
1 1 1 -2  -13 5  o 291.9989 41.12184 13.71153       7.239091  25.81758       7.245883  -95.37112      84.70827 
1 1 1 -2  -13 6  o 909.5708 22.33828 139.9721       11.40601  251.4641       14.28076  -270.5968      45.13312 
1 1 1 -2  -13 7  o 132.5942 55.43670 0.3269621E-01  7.510364  2.693802       7.747736  -15.16527      91.96227 
1 1 1 -2  -13 8  o 288.1958 47.66705 16.93788       8.442407  22.30383       8.021680  -42.85599      95.93515 
1 1 1 -2  -13 9  o 209.1294 56.99034 9.318414       8.008385  12.43142       7.236818  -22.21547      98.84447 
1 1 1 -2  -13 10 o 172.3063 58.32460 8.982217       7.640106  6.005159       7.209543  20.53142       96.25710 
1 1 1 -2  -13 11 o 151.0262 57.95424 8.572812       7.754552  1.895668       7.485000  37.45110       93.77065 
1 1 1 -2  -13 12 o 129.0008 54.62176 6.337615       7.495076  -1.693263      7.613114  35.18996       88.43143 
1 1 1 -2  -13 13 o 269.3344 54.97528 21.96596       11.71521  19.14749       7.430321  -13.70135      109.1588 
1 1 1 -2  -13 14 o 187.9220 54.34487 9.723156       6.397935  10.89199       7.032784  -6.627350      92.64264 
1 1 1 -2  -13 15 o 100.5034 46.03139 -2.693578      6.453112  0.8214492      6.486284  -13.30544      75.94733 
1 1 1 -2  -13 16 o 143.4418 53.40642 10.11797       6.488614  2.210442       6.230467  46.24154       84.87874 
1 1 1 -2  -13 17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -12 1  o 686.2593 21.31401 101.8676       8.895849  107.4149       9.238655  -17.93689      42.94716 
1 1 1 -2  -12 2  o 220.5005 51.20069 7.891296       6.845441  15.39337       6.891963  -61.65146      91.47898 
1 1 1 -2  -12 3  o 669.9344 21.49701 105.5604       8.740216  92.47600       9.115699  45.41010       43.51242 
1 1 1 -2  -12 4  o 650.1418 21.57763 89.86638       8.070888  98.57489       9.477955  -28.74261      43.70872 
1 1 1 -2  -12 5  o 559.5520 23.11059 70.61501       7.798501  68.19646       8.227645  10.66589       46.73066 
1 1 1 -2  -12 6  o 413.5545 29.18108 34.87113       7.252929  42.28777       7.637886  -40.75803      59.63460 
1 1 1 -2  -12 7  o 87.52767 43.10696 -20.97328      8.886251  -4.708690      7.796567  -27.83379      77.98296 
1 1 1 -2  -12 8  o 194.6617 77.49047 0.000000       0.000000  6.472585       9.923701  ?              ?        
1 1 1 -2  -12 9  o 213.2421 69.08909 13.79203       10.60672  8.901651       10.27534  28.66254       114.9270 
1 1 1 -2  -12 10 o 270.1518 58.19218 16.82372       8.644532  20.62014       10.57062  -21.55371      110.2092 
1 1 1 -2  -12 11 o 160.7905 63.25064 2.817632       8.111679  9.907290       11.05205  -45.62100      105.1122 
1 1 1 -2  -12 12 o 236.3956 83.37511 0.000000       0.000000  17.94298       10.75875  ?              ?        
1 1 1 -2  -12 13 f 129.4429 56.35313 -3.772937      7.578394  10.61319       9.776578  -68.41948      94.77621 
1 1 1 -2  -12 14 o 101.2570 47.43791 -2.766203      7.342794  -3.175198      7.625803  -0.7204208     79.44104 
1 1 1 -2  -12 15 o 157.6077 59.16999 9.944303       7.974749  4.811301       7.701168  26.56062       94.21442 
1 1 1 -2  -12 16 o 128.7235 52.29686 4.287329       6.888112  3.439209       6.227979  6.701492       83.75268 
1 1 1 -2  -12 17 o 107.8748 46.83228 8.190895       6.064772  -4.241108      5.595829  62.54292       76.58361 
1 1 1 -2  -11 1  o 178.5732 66.35624 12.33534       9.845460  2.270064       9.759720  51.29143       107.3540 
1 1 1 -2  -11 2  o 217.6749 65.96058 14.29503       9.699732  9.704072       9.649509  28.43512       111.2102 
1 1 1 -2  -11 3  o 612.5360 32.67936 0.000000       0.000000  84.39615       8.748463  ?              ?        
1 1 1 -2  -11 4  o 241.4098 53.51672 14.21520       8.354446  13.62225       7.349279  4.755554       99.30808 
1 1 1 -2  -11 5  o 204.6435 57.21580 12.30006       6.657870  5.768981       8.916897  38.33589       97.83884 
1 1 1 -2  -11 6  o 238.5081 55.13956 14.57045       7.020202  11.87514       9.534847  18.01302       101.6873 
1 1 1 -2  -11 7  o 301.5082 46.97338 21.64486       7.967816  20.79656       9.153835  10.12708       96.18831 
1 1 1 -2  -11 8  o 361.8115 42.51966 36.04533       8.751542  22.32669       10.11891  95.96725       93.28516 
1 1 1 -2  -11 9  o 757.6690 33.72946 0.000000       0.000000  129.0417       11.18150  ?              ?        
1 1 1 -2  -11 10 o 454.9590 37.26149 46.02719       9.187391  49.66236       12.34737  -6.147278      80.49035 
1 1 1 -2  -11 11 o 498.2963 29.62363 56.94561       8.804235  55.45028       9.462165  9.477356       60.86607 
1 1 1 -2  -11 12 o 174.4428 59.64941 8.463033       6.757330  5.983266       9.397576  6.156021       98.77389 
1 1 1 -2  -11 13 o 230.8860 55.75087 12.63315       7.553246  16.09554       8.284886  -23.28214      101.1415 
1 1 1 -2  -11 14 f 119.4755 52.53513 0.7945196E-01  7.329012  1.348584       7.737962  -7.699219      86.09544 
1 1 1 -2  -11 15 o 123.6488 50.90437 3.995320       6.478822  1.723378       6.121146  13.69426       82.39726 
1 1 1 -2  -11 16 o 82.02714 39.33607 -4.936487      5.782656  -3.209305      5.735951  -5.123230      67.10286 
1 1 1 -2  -11 17 o 244.1558 44.81973 17.31071       6.694910  15.01426       6.391801  16.37057       90.32387 
1 1 1 -2  -11 18 o 121.6574 49.54511 1.535819       5.896303  5.467289       5.864708  -20.47883      78.94019 
1 1 1 -2  -10 1  o 109.3086 50.74587 -1.949027      8.241488  -5.830128      8.263144  12.99109       86.54945 
1 1 1 -2  -10 2  o 295.4796 62.65715 36.69677       11.83453  11.13475       10.53440  156.9382       110.9542 
1 1 1 -2  -10 3  o 613.3600 23.16652 84.77033       8.639376  83.29184       8.966871  6.436951       46.92405 
1 1 1 -2  -10 4  o 547.2044 30.90380 70.22983       9.650265  63.24649       11.48160  34.99176       64.83829 
1 1 1 -2  -10 5  o 553.6213 29.70315 75.24461       10.15735  61.62256       10.16944  57.08386       60.57815 
1 1 1 -2  -10 6  o 511.2298 24.02625 58.18038       7.584321  57.73816       7.611840  2.034637       48.47476 
1 1 1 -2  -10 7  o 676.6891 21.15466 104.1584       8.769795  98.28830       8.971781  20.17908       42.60835 
1 1 1 -2  -10 8  o 152.5382 54.25865 2.815112       6.372999  6.984167       6.541049  -29.65431      89.31515 
1 1 1 -2  -10 9  o 187.3818 57.61134 4.107932       7.482530  12.25604       7.215425  -56.66101      95.27851 
1 1 1 -2  -10 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -10 11 o 100.9697 46.11946 1.207646       6.150771  -6.970345      6.766181  27.90408       78.42915 
1 1 1 -2  -10 12 o 639.9301 21.33221 86.03699       8.128069  97.59575       8.827662  -39.72021      43.10714 
1 1 1 -2  -10 13 o 166.0601 50.97788 6.600589       5.518034  7.277861       6.022935  -6.729630      86.11951 
1 1 1 -2  -10 14 o 264.3199 36.20248 16.78402       5.701111  16.79987       5.862388  1.152222       76.36404 
1 1 1 -2  -10 15 o 122.9148 47.20444 0.4222569      4.844762  6.495970       5.296549  -44.08562      76.71174 
1 1 1 -2  -10 16 o 178.2966 48.54622 6.476220       5.128862  11.68616       5.997904  -41.82442      84.40738 
1 1 1 -2  -10 17 o 131.4171 50.33966 4.591224       5.683057  4.208234       5.797421  1.923477       80.87176 
1 1 1 -2  -10 18 o 85.52931 40.27492 2.420771       5.568735  -6.956239      5.458513  35.32598       68.46667 
1 1 1 -2  -10 19 o 99.63942 45.38671 -4.094368      6.110418  3.939021       6.249465  -31.53223      74.48162 
1 1 1 -2  -9  1  o 112.5659 47.69698 2.753153       5.793836  -1.584317      5.739554  24.73815       79.30761 
1 1 1 -2  -9  2  o 115.7443 48.66205 0.3869973      5.939528  1.496119       5.913775  -5.894897      80.63609 
1 1 1 -2  -9  3  o 190.0615 53.00066 6.084758       6.279688  12.29941       6.707366  -50.02740      90.63406 
1 1 1 -2  -9  4  o 580.0696 31.54070 76.36390       11.16507  76.51665       11.45359  0.4776611      64.57295 
1 1 1 -2  -9  5  o 305.2528 54.36945 20.41849       10.05511  24.35090       9.785604  -28.65829      107.6597 
1 1 1 -2  -9  6  o 333.0832 31.50137 23.10669       5.407816  29.45411       8.404384  -35.20251      68.70824 
1 1 1 -2  -9  7  o 510.5086 31.31116 66.15178       10.19392  51.23736       9.571263  66.43521       63.76164 
1 1 1 -2  -9  8  f 591.6836 44.42934 79.73769       11.44662  0.000000       0.000000  ?              ?        
1 1 1 -2  -9  9  o 327.8414 42.78167 0.000000       0.000000  24.82000       6.005469  ?              ?        
1 1 1 -2  -9  10 o 519.3099 25.05989 65.04474       7.035079  50.55915       9.682740  71.72964       56.48080 
1 1 1 -2  -9  11 o 100.2013 44.24765 1.778768       5.192523  -4.031873      5.615543  25.41907       74.41000 
1 1 1 -2  -9  12 f 221.0771 40.19006 13.07776       5.227483  9.833103       5.393719  31.64319       78.44926 
1 1 1 -2  -9  13 o 565.3154 19.48937 70.55884       6.661894  71.83526       6.999084  -4.330872      39.38083 
1 1 1 -2  -9  14 f 123.5405 44.98781 0.1065107      4.182687  7.450145       4.821870  -63.12193      73.04141 
1 1 1 -2  -9  15 o 269.5039 30.77522 15.81892       4.801844  18.73165       5.347835  -21.53525      65.30219 
1 1 1 -2  -9  16 o 129.5494 45.39600 5.178400       4.354800  2.831142       4.673055  17.10601       74.17554 
1 1 1 -2  -9  17 o 74.98397 35.82372 -4.775426      4.552308  -1.890556      4.818989  -13.77597      61.85944 
1 1 1 -2  -9  18 o 178.0674 47.14225 9.214265       5.104959  8.327147       5.492982  9.096497       82.68755 
1 1 1 -2  -9  19 o 147.5262 49.44071 4.654145       5.201197  8.228784       5.466423  -25.84464      80.61382 
1 1 1 -2  -8  1  o 1318.740 31.10290 387.9922       17.99125  0.000000       0.000000  ?              ?        
1 1 1 -2  -8  2  o 414.4640 23.03877 36.22572       5.873711  40.28787       5.926588  -22.55588      46.69285 
1 1 1 -2  -8  3  o 511.1485 21.07856 52.32322       6.516430  64.48713       6.833167  -54.08102      42.64191 
1 1 1 -2  -8  4  o 408.4854 25.67306 38.52160       6.374587  36.49926       6.574956  12.22339       52.46066 
1 1 1 -2  -8  5  o 157.5455 52.23325 10.23172       5.927307  1.342832       5.974633  65.69478       84.25403 
1 1 1 -2  -8  6  o 160.0973 53.98703 4.156723       5.339260  9.764156       8.313453  -53.98627      93.23582 
1 1 1 -2  -8  7  o 155.4261 50.13379 6.087194       5.723429  4.871821       5.299884  12.38846       84.10152 
1 1 1 -2  -8  8  o 588.0814 19.64738 80.26049       7.247262  72.68505       7.070577  29.32532       39.50510 
1 1 1 -2  -8  9  o 635.2188 39.54473 0.000000       0.000000  91.19701       10.96362  ?              ?        
1 1 1 -2  -8  10 o 598.4800 25.90949 81.20549       9.398116  78.28167       9.807141  12.10535       52.48343 
1 1 1 -2  -8  11 o 1247.180 31.31313 339.7932       23.80018  356.7981       24.63396  -29.68262      63.32521 
1 1 1 -2  -8  12 o 400.7734 29.75924 27.74424       6.950861  46.67809       7.816242  -107.3463      61.79913 
1 1 1 -2  -8  13 o 461.0616 21.70222 41.48755       5.925073  54.46931       6.492922  -63.36874      43.96015 
1 1 1 -2  -8  14 o 615.8843 19.38152 87.53437       7.299987  81.39911       7.494681  23.49878       39.22112 
1 1 1 -2  -8  15 o 107.9899 42.71225 2.306391       3.971560  1.374587       4.566059  1.306328       70.15411 
1 1 1 -2  -8  16 o 210.6508 38.62955 10.02945       4.762468  12.02578       4.967625  -18.90004      76.35432 
1 1 1 -2  -8  17 o 315.7121 27.62221 23.35346       5.299312  23.35872       5.412846  0.9441528      58.21903 
1 1 1 -2  -8  18 f 123.4545 46.44976 2.829514       4.713936  4.784212       4.963178  -14.49594      75.15707 
1 1 1 -2  -8  19 o 147.8985 46.20489 5.639431       4.614489  6.681029       4.797213  -8.601852      77.09093 
1 1 1 -2  -8  20 o 120.2135 44.29953 2.389601       4.294054  5.320078       4.413667  -21.95899      71.40607 
1 1 1 -2  -7  1  o 1476.382 23.40445 474.8427       21.24807  488.4721       21.62594  -20.73975      46.98112 
1 1 1 -2  -7  2  o 414.5673 20.95254 37.90495       5.395762  38.18761       5.346148  -1.643738      42.25900 
1 1 1 -2  -7  3  o 451.0959 20.29475 40.16980       5.645778  50.06732       5.683243  -50.49905      41.16027 
1 1 1 -2  -7  4  o 1053.029 19.00702 246.9911       12.51706  244.1313       12.31672  5.886719       38.24544 
1 1 1 -2  -7  5  o 346.8535 26.82351 21.13777       5.766854  33.01326       5.687068  -81.48764      57.23110 
1 1 1 -2  -7  6  o 479.2668 21.31090 48.59104       6.300999  53.89497       6.338904  -25.46121      43.16039 
1 1 1 -2  -7  7  o 584.2083 26.13475 0.000000       0.000000  76.22199       6.680153  ?              ?        
1 1 1 -2  -7  8  o 338.2668 24.37999 25.32041       5.179356  25.61304       4.988855  -2.409058      49.59129 
1 1 1 -2  -7  9  o 146.2100 57.04636 6.830565       9.019178  1.419898       6.518174  49.27295       96.54994 
1 1 1 -2  -7  10 o 240.3056 54.03103 20.94561       8.643603  8.771559       7.253931  93.78232       97.05087 
1 1 1 -2  -7  11 o 179.0783 44.30722 8.532826       4.786084  6.591551       5.011038  18.30734       78.98764 
1 1 1 -2  -7  12 o 357.2804 28.79310 30.21502       6.346645  27.05926       6.308259  20.58856       59.00636 
1 1 1 -2  -7  13 o 250.9119 32.23974 13.89661       4.812788  14.88441       4.996697  -8.583893      66.72538 
1 1 1 -2  -7  14 o 148.5615 47.91092 3.815737       4.596787  7.179330       5.594360  -33.12534      80.67307 
1 1 1 -2  -7  15 o 290.6574 30.99305 18.48374       4.937538  21.23215       6.318244  -14.19489      66.28616 
1 1 1 -2  -7  16 o 177.6063 48.01216 5.546153       4.753156  13.04487       6.462434  -63.14009      84.44186 
1 1 1 -2  -7  17 o 383.2064 26.94299 35.74303       5.758686  31.33117       7.211193  38.56732       59.47258 
1 1 1 -2  -7  18 o 305.1586 30.19644 21.61126       5.306057  23.07212       6.049114  -3.893707      65.12899 
1 1 1 -2  -7  19 o 92.32302 41.11282 -2.159435      4.630082  2.370622       4.885469  -24.73996      68.03706 
1 1 1 -2  -7  20 o 172.3539 42.36815 6.667836       4.476397  9.726589       4.518460  -29.35262      75.78994 
1 1 1 -2  -7  21 o 100.3071 44.69096 0.000000       0.000000  0.7356852      3.976245  ?              ?        
1 1 1 -2  -6  1  o 168.1845 38.75683 10.53898       4.080834  3.005285       3.849968  81.12199       66.85635 
1 1 1 -2  -6  2  o 829.0236 15.97694 150.2073       8.243254  152.1939       8.189624  -5.516418      32.04935 
1 1 1 -2  -6  3  o 538.0495 16.72951 57.57620       5.560570  70.12582       5.593400  -53.43622      33.73937 
1 1 1 -2  -6  4  o 163.5572 44.67230 6.656933       4.776604  5.959064       4.550547  7.608902       77.73380 
1 1 1 -2  -6  5  o 475.1928 29.57051 50.85004       6.132994  0.000000       0.000000  ?              ?        
1 1 1 -2  -6  6  o 432.4276 20.75265 45.63434       5.698732  38.12156       5.413302  39.34100       42.02886 
1 1 1 -2  -6  7  o 222.2186 34.84061 10.41868       4.346889  12.91048       5.014053  -22.83888      70.68749 
1 1 1 -2  -6  8  o 156.7513 41.82517 3.375310       4.065046  8.403115       4.223971  -51.93158      71.45684 
1 1 1 -2  -6  9  o 174.5584 36.01131 2.644332       3.733037  11.65549       3.807925  -97.83600      62.83361 
1 1 1 -2  -6  10 f 285.1012 24.18064 20.33374       4.307888  16.04028       4.167875  34.87903       49.62514 
1 1 1 -2  -6  11 o 721.5922 26.49331 114.8038       11.98708  116.9302       11.69582  -7.323242      53.51802 
1 1 1 -2  -6  12 o 340.2282 43.64440 21.66993       8.940087  32.06630       9.059690  -71.72537      91.43332 
1 1 1 -2  -6  13 o 508.8403 24.89350 62.12472       7.738620  52.92566       7.932247  42.21442       50.65484 
1 1 1 -2  -6  14 o 186.7116 49.58898 7.324291       5.570075  9.848710       6.152650  -22.87503      87.00683 
1 1 1 -2  -6  15 o 337.3977 26.22834 23.99915       5.268610  27.79048       5.643418  -24.81378      53.89619 
1 1 1 -2  -6  16 o 458.0476 20.67720 43.87523       5.624378  50.94759       6.127950  -33.78635      41.98396 
1 1 1 -2  -6  17 o 76.78669 35.62208 -2.792494      3.928495  -0.8322781     4.195122  -12.77797      60.90984 
1 1 1 -2  -6  18 o 290.6464 26.84762 19.29570       4.635496  20.23352       4.951703  -5.083405      56.62226 
1 1 1 -2  -6  19 o 88.22966 38.89587 1.491639       3.959998  -1.651896      4.369705  13.41310       64.04136 
1 1 1 -2  -6  20 o 96.62022 40.72061 1.157132       4.000155  1.373197       4.354529  -4.085579      66.35136 
1 1 1 -2  -6  21 o 177.2835 42.57324 5.699625       4.299489  12.87378       5.032073  -63.41251      75.93592 
1 1 1 -2  -5  1  o 248.3394 22.64301 16.73402       3.522128  10.91533       3.381810  54.61891       47.17030 
1 1 1 -2  -5  2  o 847.3073 15.36774 158.6046       8.158043  157.1242       7.998944  3.896851       30.81355 
1 1 1 -2  -5  3  o 1110.062 25.86974 0.000000       0.000000  272.4133       12.59623  ?              ?        
1 1 1 -2  -5  4  f 963.8353 24.00629 205.4539       10.14914  0.000000       0.000000  ?              ?        
1 1 1 -2  -5  5  o 214.2409 32.14413 9.230922       4.286791  11.57791       4.007737  -25.70859      65.46107 
1 1 1 -2  -5  6  o 317.9474 32.30015 23.02107       4.442193  0.000000       0.000000  ?              ?        
1 1 1 -2  -5  7  o 257.4864 24.62513 15.63597       3.916820  14.31567       3.854653  11.86572       50.85641 
1 1 1 -2  -5  8  o 517.7014 16.25078 57.96468       5.044629  60.85296       5.397944  -12.15381      32.72445 
1 1 1 -2  -5  9  o 401.3402 17.25099 33.12278       4.177886  38.34451       4.400307  -29.53064      34.73267 
1 1 1 -2  -5  10 o 750.6294 15.95883 124.8295       7.455749  123.2948       7.406343  4.632996       32.03184 
1 1 1 -2  -5  11 o 313.3530 22.69929 22.44217       4.345776  21.20215       4.419887  9.351105       46.15574 
1 1 1 -2  -5  12 o 87.00439 38.47646 -0.5045477     3.885674  -1.126519      4.333427  -2.243027      65.20025 
1 1 1 -2  -5  13 o 314.7348 52.09546 20.87910       8.909411  27.38021       11.06937  -38.96213      105.4804 
1 1 1 -2  -5  14 o 333.8833 55.02105 16.48778       10.19561  40.93013       12.02835  -151.9692      107.2741 
1 1 1 -2  -5  15 o 288.9832 29.02797 17.67809       4.961228  20.49612       5.324429  -21.54196      60.24686 
1 1 1 -2  -5  16 o 243.2060 31.98413 12.20592       4.506507  15.63274       4.940273  -30.73006      66.60398 
1 1 1 -2  -5  17 o 208.1313 34.33267 9.789842       4.239410  10.99078       4.318090  -12.44574      69.42470 
1 1 1 -2  -5  18 o 406.7877 21.79344 37.17247       5.084512  38.36059       5.982992  -1.552277      45.23206 
1 1 1 -2  -5  19 o 153.8464 41.82657 5.205660       3.972623  7.410905       4.231112  -21.63007      72.72109 
1 1 1 -2  -5  20 o 148.1428 42.56503 10.72436       4.190032  1.572584       4.050142  84.82615       67.94141 
1 1 1 -2  -5  21 o 164.9077 40.62374 4.851953       4.038548  10.30181       4.223734  -53.69818      71.30958 
1 1 1 -2  -5  22 o 114.1008 44.04908 3.629903       4.117713  3.042210       4.796779  1.496277       70.61211 
1 1 1 -2  -4  1  o 495.5111 13.04746 52.99320       4.036709  54.93434       3.977908  -8.990967      26.16385 
1 1 1 -2  -4  2  o 262.5386 18.18585 16.31846       3.022942  14.26511       2.869842  17.84286       36.79256 
1 1 1 -2  -4  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -4  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -4  5  o 553.0303 19.26882 0.000000       0.000000  67.53668       4.667037  ?              ?        
1 1 1 -2  -4  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -4  7  o 326.3767 19.06376 23.92402       3.823668  23.46917       3.862248  3.321686       38.60870 
1 1 1 -2  -4  8  o 603.3570 15.32551 86.95370       5.823761  74.50265       5.643126  46.96124       30.84551 
1 1 1 -2  -4  9  o 391.2151 17.89787 38.76055       4.317228  29.01472       4.346779  57.60538       36.55827 
1 1 1 -2  -4  10 o 348.6449 19.07516 25.23547       4.005309  28.76510       4.222702  -22.95908      38.49795 
1 1 1 -2  -4  11 o 212.1106 31.71711 11.94049       3.615153  7.374589       4.677702  49.60538       66.23553 
1 1 1 -2  -4  12 o 466.2772 16.24852 46.22364       4.599317  49.87942       4.791717  -17.72635      32.65056 
1 1 1 -2  -4  13 o 248.5374 24.10379 9.976053       3.492562  18.61551       3.876493  -80.20804      50.83579 
1 1 1 -2  -4  14 o 447.5500 18.49571 46.19598       5.167017  42.49664       5.081644  18.86063       37.25513 
1 1 1 -2  -4  15 o 317.7035 47.05102 23.28734       8.388245  24.74723       9.750266  -4.511566      97.80072 
1 1 1 -2  -4  16 o 144.2728 59.73240 3.724273       7.882735  1.272993       9.927530  -1.511078      98.11864 
1 1 1 -2  -4  17 o 349.2489 24.51300 24.89013       5.104297  30.95658       5.468343  -38.91125      50.43428 
1 1 1 -2  -4  18 o 125.1914 43.81813 6.331379       4.105907  0.9776248      4.294413  43.10422       70.53142 
1 1 1 -2  -4  19 o 148.8032 42.09422 7.481273       4.070299  4.069946       4.047290  33.42598       71.65539 
1 1 1 -2  -4  20 o 105.4637 46.07923 5.188950       10.49662  0.3161265      4.371742  46.38651       83.46272 
1 1 1 -2  -4  21 o 168.7874 52.95598 0.000000       0.000000  8.710703       4.363739  ?              ?        
1 1 1 -2  -4  22 o 101.0261 41.40439 2.413004       4.192414  1.701352       4.087336  5.145126       66.66616 
1 1 1 -2  -3  1  o 234.7618 16.14936 12.17560       1.652838  0.000000       0.000000  ?              ?        
1 1 1 -2  -3  2  f 668.8019 11.87497 98.43056       4.962297  98.04933       4.891640  1.268555       23.79494 
1 1 1 -2  -3  3  o 1035.283 16.45451 233.2899       10.48649  238.1835       10.64983  -10.70374      32.95385 
1 1 1 -2  -3  4  o 745.9415 13.24144 120.4210       6.061910  124.1915       6.194477  -11.47278      26.53807 
1 1 1 -2  -3  5  o 146.5586 26.90058 4.962611       2.374079  4.840612       2.337398  1.777908       52.15223 
1 1 1 -2  -3  6  o 579.0450 18.47226 74.03509       4.685733  0.000000       0.000000  ?              ?        
1 1 1 -2  -3  7  o 233.2367 20.81556 10.77462       2.922605  13.64208       3.040936  -28.44753      42.80347 
1 1 1 -2  -3  8  o 272.9880 20.00980 15.32615       3.304171  18.06587       3.429152  -22.97775      40.80962 
1 1 1 -2  -3  9  o 419.4120 15.44794 38.28340       3.922298  39.64666       4.108628  -7.101471      31.10931 
1 1 1 -2  -3  10 o 371.4550 16.14841 28.18437       3.522621  33.36934       3.935736  -31.31430      32.51425 
1 1 1 -2  -3  11 o 578.7310 20.31075 74.03352       5.147901  0.000000       0.000000  ?              ?        
1 1 1 -2  -3  12 f 433.7275 15.61866 39.47563       4.091933  43.70553       4.307010  -22.08810      31.37678 
1 1 1 -2  -3  13 o 431.1509 16.20544 42.33961       4.284097  39.72314       4.370104  14.05453       32.63451 
1 1 1 -2  -3  14 o 374.3165 19.13379 28.41063       4.356856  33.87122       4.502859  -33.34290      38.68134 
1 1 1 -2  -3  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  -3  16 o 285.1363 30.03529 23.42694       8.644179  17.46506       4.094212  25.39151       75.76482 
1 1 1 -2  -3  17 o 282.3178 46.98391 28.45579       8.001232  11.10419       7.878426  130.9683       91.19331 
1 1 1 -2  -3  18 o 248.6897 36.89687 13.23898       4.298277  23.10194       9.317315  -43.58595      87.49707 
1 1 1 -2  -3  19 o 94.36930 39.98059 2.747610       4.280922  -0.7933196     3.853853  26.88451       66.17136 
1 1 1 -2  -3  20 o 148.2335 43.75554 7.195263       4.409226  4.781717       4.198414  22.17273       74.14053 
1 1 1 -2  -3  21 o 85.93329 37.63358 3.441039       3.821939  -2.821541      3.831032  37.12188       61.90244 
1 1 1 -2  -3  22 o 110.8835 47.41328 0.000000       0.000000  2.445929       4.093521  ?              ?        
1 1 1 -2  -3  23 o 105.0047 45.84645 0.000000       0.000000  1.857948       3.988954  ?              ?        
1 1 1 -2  -2  1  o 324.9647 8.399385 23.26223       1.694025  23.12244       1.689481  0.9802551      16.82472 
1 1 1 -2  -2  2  o 382.5865 9.004174 32.72414       2.144623  31.54016       2.129315  7.062317       18.05220 
1 1 1 -2  -2  3  o 237.0333 11.15432 12.59487       1.634243  12.13389       1.636748  4.464828       22.41919 
1 1 1 -2  -2  4  o 1038.271 16.34735 238.0550       10.55696  236.0769       10.50066  4.319458       32.73878 
1 1 1 -2  -2  5  o 1069.824 16.92904 253.0157       11.26551  250.6823       11.20413  4.942017       33.91419 
1 1 1 -2  -2  6  o 446.2483 11.33091 44.57200       3.156907  43.01600       3.111686  7.936798       22.70902 
1 1 1 -2  -2  7  o 79.10764 30.39639 0.1946510      2.143530  1.642373       2.053425  -14.71539      50.05202 
1 1 1 -2  -2  8  o 546.4048 12.58621 66.90850       4.300124  64.69905       4.232774  9.163818       25.27958 
1 1 1 -2  -2  9  o 110.3718 33.69183 1.870858       2.580385  3.648255       2.459693  -20.96690      56.52538 
1 1 1 -2  -2  10 o 189.9367 33.51493 0.000000       0.000000  8.380179       2.690178  ?              ?        
1 1 1 -2  -2  11 o 657.5936 19.12166 95.55232       5.509637  0.000000       0.000000  ?              ?        
1 1 1 -2  -2  12 o 574.1315 13.26857 73.95922       4.779324  71.10783       4.673540  11.26703       26.62617 
1 1 1 -2  -2  13 o 232.8199 20.84671 8.713491       2.835690  16.23129       3.146296  -74.47221      43.86409 
1 1 1 -2  -2  14 o 217.3262 23.28259 10.39190       3.052502  10.82897       3.128725  -4.484482      48.01524 
1 1 1 -2  -2  15 o 335.4042 19.20780 24.60547       3.894193  25.32999       4.070948  -4.640991      38.83783 
1 1 1 -2  -2  16 o 198.2232 30.00255 5.829702       3.513253  12.46684       3.637843  -74.59663      60.09045 
1 1 1 -2  -2  17 o 529.7752 16.44535 62.57506       5.391982  62.04578       5.403836  2.325317       33.13908 
1 1 1 -2  -2  18 f 91.84894 40.67717 2.294153       7.466507  -1.103503      3.602620  52.44393       75.67781 
1 1 1 -2  -2  19 o 144.6773 58.94145 7.600695       8.210168  1.963204       8.446998  24.10776       93.95795 
1 1 1 -2  -2  20 o 107.7583 45.04499 1.744611       3.559433  0.000000       0.000000  ?              ?        
1 1 1 -2  -2  21 o 115.9793 41.76833 3.544708       3.835019  3.329707       3.840749  1.739281       67.93246 
1 1 1 -2  -2  22 o 125.1565 42.74648 6.320677       4.119536  2.577874       3.861614  31.88662       69.57503 
1 1 1 -2  -2  23 o 148.9248 39.52037 5.810589       3.697870  6.653200       3.724218  -8.546844      69.26456 
1 1 1 -2  -1  1  o 751.8209 11.92968 126.3985       5.629973  121.9916       5.499604  13.32001       23.87690 
1 1 1 -2  -1  2  o 624.9894 10.58360 86.92313       4.140161  84.64563       4.067202  8.286621       21.17934 
1 1 1 -2  -1  3  o 1572.641 23.72555 550.0235       23.29969  541.0495       22.99388  12.81018       47.58626 
1 1 1 -2  -1  4  o 838.4621 13.59547 158.7755       7.211799  150.4843       6.938544  22.43488       27.21813 
1 1 1 -2  -1  5  f 662.0810 11.74060 97.21067       4.848751  95.37140       4.795478  6.317383       23.52484 
1 1 1 -2  -1  6  o 1351.869 20.81533 408.1650       17.63207  398.1443       17.28428  16.64246       41.74885 
1 1 1 -2  -1  7  o 204.5870 15.85591 8.290737       1.970947  10.31036       2.023219  -22.82390      32.33671 
1 1 1 -2  -1  8  f 734.6881 13.32531 118.1000       6.051299  119.7541       6.094752  -5.097778      26.74302 
1 1 1 -2  -1  9  o 338.4354 13.97537 25.46553       2.885156  25.18825       2.972089  2.053467       28.15261 
1 1 1 -2  -1  10 o 353.0807 20.61448 0.000000       0.000000  27.82112       3.178737  ?              ?        
1 1 1 -2  -1  11 o 287.3196 15.71270 19.44968       2.658248  16.79338       2.943084  21.91483       32.23252 
1 1 1 -2  -1  12 o 816.4405 14.73746 145.3902       7.387661  148.1019       7.542464  -7.459045      29.56431 
1 1 1 -2  -1  13 o 871.8688 15.49197 169.7138       8.428166  165.2352       8.329997  11.65076       31.08723 
1 1 1 -2  -1  14 o 371.2571 14.45297 31.38750       3.322662  29.45671       3.321615  11.93222       29.07329 
1 1 1 -2  -1  15 o 110.0133 35.71185 2.024045       2.762216  3.317017       2.814155  -15.21209      59.65651 
1 1 1 -2  -1  16 o 503.8431 14.77954 57.85500       4.646157  54.29388       4.583026  16.10181       29.69802 
1 1 1 -2  -1  17 o 301.9271 18.12302 23.93864       3.440970  16.93650       3.319629  53.42633       37.17234 
1 1 1 -2  -1  18 o 78.08224 33.50940 0.2036525      2.861030  -0.3000630E-01 2.963828  0.3213120      55.92365 
1 1 1 -2  -1  19 o 95.78785 37.56444 -1.629660      3.254911  4.823170       3.251672  -54.13246      59.94539 
1 1 1 -2  -1  20 o 106.4058 47.75236 -4.927469      6.471209  4.910073       6.621675  -41.52229      78.99328 
1 1 1 -2  -1  21 o 93.28113 44.12191 5.367092       7.169205  -9.298530      6.402092  52.91192       76.22205 
1 1 1 -2  -1  22 o 59.51846 29.16483 -3.684747      3.493467  -4.741205      3.815654  -0.2822800     51.10767 
1 1 1 -2  -1  23 o 146.0005 42.63121 7.207778       4.247565  5.339161       3.968168  16.17661       72.32397 
1 1 1 -2  0   1  o 186.6985 7.859427 8.061152       0.9312043 7.301697       0.8867969 9.266129       15.77484 
1 1 1 -2  0   2  o 509.0565 9.096792 56.54127       2.860568  57.22649       2.884723  -3.062958      18.22177 
1 1 1 -2  0   3  o 567.4032 10.00360 71.65663       3.550824  69.73479       3.491887  7.883484       20.02849 
1 1 1 -2  0   4  o 498.1708 9.728966 56.28226       3.078784  52.83928       2.939080  15.71017       19.49564 
1 1 1 -2  0   5  o 434.1588 9.781719 42.62376       2.674209  40.20980       2.596299  12.65881       19.60841 
1 1 1 -2  0   6  o 713.6979 12.35124 114.2434       5.537047  109.7071       5.401783  14.43555       24.72565 
1 1 1 -2  0   7  o 789.5379 13.44361 137.1209       6.560913  137.0822       6.607805  0.1437378      26.92601 
1 1 1 -2  0   8  o 323.5775 12.37816 22.73835       2.465690  23.42435       2.494530  -4.821930      24.86684 
1 1 1 -2  0   9  o 285.0923 14.01678 16.30235       2.379246  19.95274       2.574824  -28.98517      28.26332 
1 1 1 -2  0   10 o 254.7071 22.75160 0.000000       0.000000  14.60247       2.515141  ?              ?        
1 1 1 -2  0   11 o 317.2666 13.76929 21.34302       2.560911  23.33957       2.872767  -13.91168      27.77403 
1 1 1 -2  0   12 o 278.4219 15.03987 15.56602       2.510480  18.88095       2.672970  -27.10867      30.33158 
1 1 1 -2  0   13 o 343.1372 14.24630 29.40003       3.088952  22.78666       2.966372  44.04352       28.75390 
1 1 1 -2  0   14 o 915.6874 16.01064 184.4442       9.071289  185.4393       9.117609  -2.431213      32.11282 
1 1 1 -2  0   15 o 308.0138 15.99634 21.58359       3.073552  20.42190       3.018993  8.585358       32.26041 
1 1 1 -2  0   16 o 89.65620 35.71903 -0.1826462     2.986767  2.174320       2.981746  -20.77322      58.92348 
1 1 1 -2  0   17 o 333.4913 16.24067 23.97421       3.328055  25.39383       3.371632  -9.707947      32.78613 
1 1 1 -2  0   18 f 323.5716 16.40446 23.51712       3.311562  23.13776       3.253078  2.523651       33.19579 
1 1 1 -2  0   19 o 206.5236 23.45892 9.179104       2.955113  10.43054       2.949204  -14.51846      49.14244 
1 1 1 -2  0   20 o 127.0914 35.31606 3.766854       2.919163  4.349113       2.849971  -6.815720      61.10639 
1 1 1 -2  0   21 o 89.93278 38.27626 3.562493       4.893312  -0.3194386     3.145310  39.08588       65.93256 
1 1 1 -2  0   22 o 92.27158 42.98306 0.4617482      5.787218  -3.282937      6.238040  9.968697       70.52152 
1 1 1 -2  0   23 o 105.2158 42.55702 4.030943       3.414988  -2.729456      6.711004  16.41090       67.59288 
1 1 1 -2  0   24 o 125.9367 43.58126 7.737333       4.409723  2.503928       3.923920  40.71648       70.30671 
1 1 1 -2  1   1  o 784.5647 12.27446 131.8678       5.866229  138.8007       6.087417  -20.06390      24.56941 
1 1 1 -2  1   2  o 260.2373 7.751283 14.20902       1.243267  15.55567       1.256640  -11.81923      15.54162 
1 1 1 -2  1   3  o 392.6394 8.498452 33.71322       2.077375  33.95709       2.062511  -1.425385      17.03236 
1 1 1 -2  1   4  o 937.7529 14.68049 195.4768       8.607092  191.1670       8.473961  10.42401       29.39372 
1 1 1 -2  1   5  o 310.2466 9.834968 20.12365       1.887770  22.18627       1.892985  -15.20340      19.73712 
1 1 1 -2  1   6  o 330.8597 14.58317 0.000000       0.000000  24.11509       2.111197  ?              ?        
1 1 1 -2  1   7  o 426.9084 10.58978 38.34718       2.775900  41.79783       2.833771  -18.43311      21.24909 
1 1 1 -2  1   8  o 349.6648 11.68306 26.19285       2.492290  27.69541       2.570623  -9.749054      23.44691 
1 1 1 -2  1   9  o 308.3882 18.10769 21.13814       2.438636  0.000000       0.000000  ?              ?        
1 1 1 -2  1   10 o 122.8631 28.53750 1.401040       2.087311  5.882127       2.182369  -64.75043      48.55063 
1 1 1 -2  1   11 o 660.6768 13.04632 97.97394       5.338415  94.48357       5.355214  12.11499       26.20410 
1 1 1 -2  1   12 o 227.8450 17.76023 10.71435       2.416982  12.44308       2.570856  -17.25543      36.10154 
1 1 1 -2  1   13 o 1030.042 17.06629 235.1721       10.92764  232.6210       10.88172  5.616211       34.22093 
1 1 1 -2  1   14 o 603.8561 13.03238 80.55388       4.896142  79.96893       4.867438  2.186584       26.15509 
1 1 1 -2  1   15 o 715.2374 14.01906 115.2610       6.277240  110.3511       6.164158  15.56403       28.14789 
1 1 1 -2  1   16 o 365.5402 14.92715 29.59852       3.383455  29.42310       3.371860  1.083954       30.02727 
1 1 1 -2  1   17 o 501.9746 14.11590 56.34752       4.413932  55.00442       4.368655  6.055634       28.36575 
1 1 1 -2  1   18 o 315.5566 23.27667 22.49469       3.199129  0.000000       0.000000  ?              ?        
1 1 1 -2  1   19 o 285.4333 17.81410 18.99146       3.155032  17.60885       3.122113  11.12943       36.29963 
1 1 1 -2  1   20 o 266.3051 18.82694 15.29125       3.094731  16.95477       3.085410  -14.75664      38.78545 
1 1 1 -2  1   21 o 115.1075 42.20052 3.223405       2.787200  0.000000       0.000000  ?              ?        
1 1 1 -2  1   22 o 100.7592 41.67899 1.913533       3.001884  0.000000       0.000000  ?              ?        
1 1 1 -2  1   23 o 144.8673 50.11029 3.147960       5.757590  9.598561       5.240008  -42.69131      79.10369 
1 1 1 -2  1   24 o 149.2468 53.64273 9.278194       6.637689  7.014716       6.055502  10.79388       84.21839 
1 1 1 -2  2   1  o 69.01585 19.84163 1.721226       0.8798731 0.3771843      0.9101652 28.06333       32.70943 
1 1 1 -2  2   2  o 879.9991 13.80234 170.3682       7.544007  169.9758       7.524922  1.009033       27.63182 
1 1 1 -2  2   3  o 209.3603 9.770375 7.946894       1.213417  11.66518       1.324656  -40.46815      19.75073 
1 1 1 -2  2   4  o 296.0493 9.156792 20.46955       1.729904  18.17614       1.633411  17.62680       18.35307 
1 1 1 -2  2   5  o 466.9508 9.693894 47.30230       2.802199  48.43737       2.813689  -5.546356      19.42751 
1 1 1 -2  2   6  o 320.2048 10.25608 22.80564       2.055214  22.28060       2.014466  3.720520       20.56362 
1 1 1 -2  2   7  o 587.8093 11.17073 77.01933       4.112047  74.85321       4.035409  8.368774       22.39060 
1 1 1 -2  2   8  o 554.9639 11.29460 65.68462       3.846923  69.84174       3.930898  -17.04590      22.65225 
1 1 1 -2  2   9  o 191.4151 17.18759 7.606794       2.007689  8.744641       2.030763  -13.85344      35.23673 
1 1 1 -2  2   10 o 314.8639 13.10366 20.23206       2.521578  23.69983       2.587222  -25.16437      26.41983 
1 1 1 -2  2   11 o 370.8430 12.41569 30.25527       2.836263  30.45816       2.868203  -1.200287      24.94965 
1 1 1 -2  2   12 o 398.2065 12.59069 32.84620       3.049811  37.18342       3.165815  -24.78668      25.28000 
1 1 1 -2  2   13 o 462.6414 12.41526 44.81049       3.480261  49.62277       3.645025  -23.62003      24.89743 
1 1 1 -2  2   14 o 205.0281 19.54507 8.860680       2.455089  9.888087       2.456436  -11.76549      40.12703 
1 1 1 -2  2   15 o 403.5532 13.44437 36.70899       3.406177  35.18135       3.317312  8.547943       27.00748 
1 1 1 -2  2   16 o 165.8632 27.82217 7.011601       2.739047  5.576708       2.784122  19.16835       55.15593 
1 1 1 -2  2   17 o 229.6461 20.68308 11.46717       2.914386  12.15434       2.915323  -7.026672      42.44000 
1 1 1 -2  2   18 o 134.9893 32.76035 4.868125       2.691043  3.794720       2.739845  13.92590       58.76619 
1 1 1 -2  2   19 o 205.3973 21.93817 8.953379       2.772874  10.27356       2.731518  -15.58171      45.85061 
1 1 1 -2  2   20 o 97.75398 34.88294 1.037435       2.696332  3.187226       2.644807  -21.84133      56.94228 
1 1 1 -2  2   21 o 152.2222 30.43176 6.179625       2.767774  5.229171       2.778360  12.69958       58.38486 
1 1 1 -2  2   22 o 68.62636 30.76073 -0.4056852     2.696385  -0.3233867     2.717726  -0.8263168     51.31757 
1 1 1 -2  2   23 o 87.67773 34.92699 0.7370724      2.892025  2.269295       2.815645  -12.13162      56.54001 
1 1 1 -2  2   24 o 77.69008 36.06326 1.155299       4.345037  -2.643208      4.007486  19.15403       59.92377 
1 1 1 -2  3   1  o 864.5760 19.49505 0.000000       0.000000  164.5811       7.393140  ?              ?        
1 1 1 -2  3   2  f 358.2348 8.895437 26.60632       1.945108  29.83663       2.009984  -20.55978      17.84271 
1 1 1 -2  3   3  o 143.5649 14.18604 5.349655       1.290694  3.894881       1.207208  23.44736       29.16780 
1 1 1 -2  3   4  o 447.7321 9.642604 42.67450       2.652565  45.39439       2.704413  -13.84814      19.32766 
1 1 1 -2  3   5  o 372.9296 9.868738 31.18321       2.302819  29.95003       2.259765  7.530304       19.77250 
1 1 1 -2  3   6  o 835.4816 13.70061 156.8872       7.225390  150.2209       6.982002  18.07452       27.43484 
1 1 1 -2  3   7  o 338.4052 10.61672 23.73178       2.215387  26.66084       2.236568  -19.78482      21.31531 
1 1 1 -2  3   8  o 204.5571 14.87094 8.221235       1.921277  10.21359       1.830240  -22.89445      30.59370 
1 1 1 -2  3   9  o 180.9533 17.76250 8.361373       2.034430  6.395843       1.907972  25.02908       36.58290 
1 1 1 -2  3   10 o 222.9957 23.05338 0.000000       0.000000  11.23783       2.222451  ?              ?        
1 1 1 -2  3   11 o 357.5897 12.49473 28.95889       2.792029  27.54403       2.743268  8.985260       25.11850 
1 1 1 -2  3   12 o 504.8784 12.30310 59.37321       3.895964  52.98620       3.811745  28.84555       24.71966 
1 1 1 -2  3   13 o 423.4226 12.45255 40.14767       3.278641  38.79830       3.255888  7.269501       24.98147 
1 1 1 -2  3   14 o 372.0537 12.89772 33.60883       3.078016  27.78225       2.876590  35.56512       25.90727 
1 1 1 -2  3   15 o 97.36772 31.91956 -0.4220166     2.272181  4.348090       2.179615  -57.38068      49.82649 
1 1 1 -2  3   16 o 590.8485 13.53021 77.46623       4.996036  76.40787       4.922840  4.007019       27.17688 
1 1 1 -2  3   17 o 430.9643 14.60430 39.24231       3.855978  42.92228       3.942700  -19.43674      29.37282 
1 1 1 -2  3   18 o 423.0853 14.15110 37.61563       3.673462  41.73666       3.744991  -22.20395      28.49927 
1 1 1 -2  3   19 o 383.5559 14.54069 31.58277       3.443390  33.86897       3.463434  -13.66470      29.36094 
1 1 1 -2  3   20 o 189.2839 23.59875 7.646332       2.691004  9.023221       2.731183  -17.00754      49.46524 
1 1 1 -2  3   21 o 196.2636 22.90380 10.84181       2.748302  7.189134       2.724058  44.43405       48.88361 
1 1 1 -2  3   22 o 175.5669 26.55695 7.504691       2.750451  7.478406       2.856535  1.512375       55.22243 
1 1 1 -2  3   23 o 97.35938 35.03625 2.530094       2.633660  2.220547       2.771260  2.313690       57.05549 
1 1 1 -2  3   24 o 74.93452 32.41833 2.713703       2.837995  -1.457923      2.701577  31.14283       53.13873 
1 1 1 -2  3   25 o 121.3315 42.37149 0.000000       0.000000  4.648355       2.774058  ?              ?        
1 1 1 -2  4   1  o 390.2903 10.17539 32.63864       2.458730  34.29777       2.464103  -9.710876      20.39181 
1 1 1 -2  4   2  o 402.8180 9.760448 33.80447       2.388965  37.60076       2.492115  -21.46381      19.57261 
1 1 1 -2  4   3  o 61.98552 24.23663 0.4416713      1.363149  0.5640575      1.339074  -1.173035      40.21076 
1 1 1 -2  4   4  o 493.1829 10.39314 53.67017       3.208400  53.15098       3.151541  2.376190       20.83278 
1 1 1 -2  4   5  o 160.3478 16.03812 7.337343       1.648122  4.348506       1.508846  43.14795       33.39234 
1 1 1 -2  4   6  o 849.8117 14.08439 155.9543       7.366329  161.7169       7.484416  -15.40857      28.20483 
1 1 1 -2  4   7  o 304.6276 11.59416 20.25750       2.191740  20.58978       2.182116  -2.508362      23.27608 
1 1 1 -2  4   8  o 451.1027 11.15584 44.52210       3.155525  44.96214       3.088982  -2.293732      22.39759 
1 1 1 -2  4   9  o 695.6909 12.81840 109.1437       5.639928  104.3925       5.429657  15.33563       25.73555 
1 1 1 -2  4   10 o 112.4257 28.12631 2.729389       2.006889  3.181835       1.909680  -6.503792      50.06314 
1 1 1 -2  4   11 o 169.1123 20.77063 6.983253       2.152741  5.966902       2.114203  13.99049       42.93310 
1 1 1 -2  4   12 o 372.7411 14.76749 32.24699       2.944908  27.53432       4.191644  31.62057       32.70167 
1 1 1 -2  4   13 o 173.6125 21.22980 7.426168       2.339359  6.206613       2.150259  15.84894       43.65676 
1 1 1 -2  4   14 o 870.3109 15.18230 161.9630       8.046152  172.2591       8.355599  -26.97681      30.45524 
1 1 1 -2  4   15 o 340.9302 13.85143 26.37912       2.966763  24.98761       2.881665  9.230957       27.85850 
1 1 1 -2  4   16 o 229.1591 19.15529 13.84345       2.838914  9.957243       2.576317  38.65707       39.25259 
1 1 1 -2  4   17 o 681.5430 14.30412 105.6197       6.233512  99.71404       5.877074  19.29980       28.75427 
1 1 1 -2  4   18 o 120.5016 32.05054 4.763208       2.622580  2.433635       2.286309  32.67978       55.73109 
1 1 1 -2  4   19 o 359.5831 16.74365 31.08881       3.365931  25.41495       4.229219  40.34821       36.02345 
1 1 1 -2  4   20 o 190.9082 23.03851 7.051858       2.753866  9.670381       2.599262  -33.96136      49.01624 
1 1 1 -2  4   21 f 98.13678 34.23591 2.139815       2.656123  2.381256       2.475130  -1.282455      56.37510 
1 1 1 -2  4   22 o 331.7188 16.05665 23.91544       3.313532  26.04998       3.275194  -15.31177      32.88467 
1 1 1 -2  4   23 o 162.7001 29.25544 7.388642       2.973272  6.188346       2.730421  13.01215       58.68700 
1 1 1 -2  4   24 o 128.4093 33.81432 7.003205       2.908352  2.630117       2.581134  51.00356       57.92300 
1 1 1 -2  4   25 o 106.5596 35.62873 3.743185       2.868049  2.857450       2.676943  8.992249       58.35754 
1 1 1 -2  5   1  o 312.6565 11.27364 21.34138       2.168061  21.65413       2.198076  -2.266632      22.61609 
1 1 1 -2  5   2  o 392.2535 10.58177 33.15237       2.573914  34.46495       2.570962  -7.649658      21.20832 
1 1 1 -2  5   3  o 1184.471 21.38759 326.8763       20.01977  301.3484       13.35851  43.08984       45.86808 
1 1 1 -2  5   4  o 185.1282 16.11267 7.951689       1.829735  7.236156       1.834166  9.028549       32.86173 
1 1 1 -2  5   5  o 824.4905 13.94262 154.0542       7.298437  145.2303       6.974460  24.23615       27.92200 
1 1 1 -2  5   6  o 654.6444 12.36179 98.35709       5.179004  90.49978       4.874783  27.19507       24.78568 
1 1 1 -2  5   7  o 577.4612 11.83408 75.99241       4.390616  70.96861       4.102261  19.63959       23.74566 
1 1 1 -2  5   8  o 124.1826 25.41657 2.736842       1.956844  4.271433       1.833036  -24.34248      47.46883 
1 1 1 -2  5   9  f 173.2890 20.36403 8.437144       2.276916  5.422069       2.037560  39.72186       42.10670 
1 1 1 -2  5   10 o 159.7840 21.48712 4.683817       2.156129  6.765544       2.003852  -31.01894      44.73703 
1 1 1 -2  5   11 o 588.1529 12.74331 76.17863       4.763498  76.50140       4.542964  -1.639221      25.64317 
1 1 1 -2  5   12 o 220.9872 25.24879 11.02482       2.403551  0.000000       0.000000  ?              ?        
1 1 1 -2  5   13 o 179.4540 21.42623 6.534336       2.421133  7.831465       2.263024  -17.56590      44.58569 
1 1 1 -2  5   14 o 703.0504 13.62326 111.6200       6.122211  106.3555       5.775595  16.75592       27.35344 
1 1 1 -2  5   15 o 272.3940 15.74878 16.61070       2.747722  16.28399       2.561566  2.373718       31.87183 
1 1 1 -2  5   16 o 664.0265 13.78222 94.58510       5.667705  99.91245       5.686394  -18.34021      27.69209 
1 1 1 -2  5   17 o 551.3318 13.64831 68.21704       4.757025  65.94499       4.583335  9.179932       27.43933 
1 1 1 -2  5   18 o 161.2155 26.09936 6.930750       2.701720  5.284255       2.372152  21.61678       52.30976 
1 1 1 -2  5   19 o 233.1277 18.52611 12.91688       2.838693  11.70236       2.506446  10.56685       38.08631 
1 1 1 -2  5   20 o 113.8623 32.53922 2.597950       2.544486  3.649513       2.299996  -12.49345      55.69421 
1 1 1 -2  5   21 f 156.3222 27.93927 5.385951       2.673957  6.477768       2.550093  -15.94479      55.44041 
1 1 1 -2  5   22 o 149.4904 35.07510 7.546381       2.824485  2.880947       3.768171  53.48906       61.06141 
1 1 1 -2  5   23 o 93.34536 34.56390 1.954264       2.857048  2.289557       2.490936  -1.034042      56.12304 
1 1 1 -2  5   24 o 182.7816 25.98122 8.414959       3.055575  8.329315       2.702706  -4.685455      55.75209 
1 1 1 -2  5   25 o 70.16467 31.12651 -0.4352444     2.875688  0.7187814      2.549813  -4.196236      50.74459 
1 1 1 -2  6   1  o 258.5342 13.39998 14.94248       2.178597  14.52584       2.106570  3.620148       26.96733 
1 1 1 -2  6   2  o 107.5793 27.22661 3.101625       1.814747  2.210863       1.821677  14.12978       48.07551 
1 1 1 -2  6   3  f 770.5841 13.77200 123.2221       6.394569  138.7406       6.789447  -45.95215      27.59088 
1 1 1 -2  6   4  o 378.2124 12.13486 30.69100       2.864983  32.20901       2.822122  -9.217926      24.35641 
1 1 1 -2  6   5  o 657.4954 12.76121 95.05980       5.240716  94.98321       5.169540  0.2194214      25.58717 
1 1 1 -2  6   6  o 179.9392 19.36976 6.406623       2.144685  8.017153       2.111777  -21.20015      40.14344 
1 1 1 -2  6   7  o 947.6816 15.81952 191.4521       9.118768  204.9807       9.491992  -32.23053      31.71839 
1 1 1 -2  6   8  o 273.5682 14.48273 15.64898       2.456368  17.44656       2.441623  -15.17249      29.26524 
1 1 1 -2  6   9  o 100.7858 31.69793 3.219310       2.270261  1.467385       2.153860  23.89343       52.97617 
1 1 1 -2  6   10 o 391.2830 12.47859 35.48948       3.142887  32.40914       2.919350  17.58136       25.09778 
1 1 1 -2  6   11 o 280.0283 17.75561 14.02438       3.954851  18.96159       2.595080  -47.38551      43.39814 
1 1 1 -2  6   12 o 475.4912 18.17372 50.08878       3.783444  0.000000       0.000000  ?              ?        
1 1 1 -2  6   13 o 297.4292 14.57849 23.01573       2.854681  16.78441       2.536540  47.38351       29.38423 
1 1 1 -2  6   14 o 225.9879 17.92014 10.24843       2.579746  12.31301       2.411879  -21.81787      37.04253 
1 1 1 -2  6   15 o 383.1297 13.88704 32.28934       3.408222  32.51595       3.192320  -1.699127      27.98648 
1 1 1 -2  6   16 o 284.1705 16.06561 18.66500       3.038808  17.33100       2.643292  9.909637       32.63978 
1 1 1 -2  6   17 o 279.0791 17.83936 15.78836       3.284870  18.50807       2.896043  -23.76526      37.04959 
1 1 1 -2  6   18 o 139.9922 31.15588 6.552392       2.828119  3.175804       2.478198  45.45282       56.42875 
1 1 1 -2  6   19 o 182.3059 23.76132 8.663323       2.672739  6.711431       2.576392  24.62245       49.34070 
1 1 1 -2  6   20 o 417.3082 14.18319 41.29857       3.816780  36.78915       3.532134  23.70972       28.67300 
1 1 1 -2  6   21 o 157.8106 26.95598 6.523827       2.688770  5.662058       2.420559  9.776505       54.33060 
1 1 1 -2  6   22 o 164.0051 26.57780 7.362948       2.702252  5.886394       2.529226  18.48415       54.28444 
1 1 1 -2  6   23 o 74.89742 31.71907 1.895550       2.652519  -0.3729253     2.454797  19.94637       51.97729 
1 1 1 -2  6   24 o 163.9743 26.99153 7.376925       2.849204  6.407030       2.487549  7.954758       55.87965 
1 1 1 -2  6   25 o 104.8241 34.92736 2.567970       2.810344  3.689143       2.531556  -11.43024      56.91897 
1 1 1 -2  7   1  o 69.70882 30.38792 -0.6858067     1.998582  0.8507231      3.592881  -38.45869      55.62099 
1 1 1 -2  7   2  o 387.2046 17.88447 33.08676       3.029306  0.000000       0.000000  ?              ?        
1 1 1 -2  7   3  o 99.69415 30.16571 1.081293       1.958349  3.529948       2.097744  -35.61621      50.18158 
1 1 1 -2  7   4  o 293.0585 13.88642 19.73759       2.602638  18.22024       2.439721  11.68329       27.93622 
1 1 1 -2  7   5  o 614.5546 13.00740 87.84567       5.214890  79.10599       4.736892  32.06152       26.11694 
1 1 1 -2  7   6  o 128.4008 26.22019 2.008327       2.078090  5.383816       1.962345  -50.78040      47.52830 
1 1 1 -2  7   7  o 468.0137 12.75590 47.68662       3.723144  48.82497       3.676930  -5.622131      25.60420 
1 1 1 -2  7   8  o 609.4929 12.97552 82.09789       4.932871  81.72590       4.879166  1.318909       26.06416 
1 1 1 -2  7   9  o 283.6583 14.92479 16.93344       2.658450  18.71778       2.577263  -14.74057      30.25720 
1 1 1 -2  7   10 o 307.0397 15.20914 21.36531       2.950041  20.53990       2.829269  5.869476       30.72596 
1 1 1 -2  7   11 o 209.2266 29.06260 0.000000       0.000000  10.06782       2.595268  ?              ?        
1 1 1 -2  7   12 o 125.4431 31.55444 6.519932       2.569053  1.290809       2.351043  70.30768       52.41249 
1 1 1 -2  7   13 o 362.1228 14.11205 28.69111       3.260540  29.13297       3.075472  -3.045959      28.42797 
1 1 1 -2  7   14 o 277.9381 16.24583 16.04008       2.874712  18.05125       2.710057  -17.06696      33.07028 
1 1 1 -2  7   15 o 430.5417 13.28879 41.70692       3.642818  40.18667       3.454365  7.800873       26.71045 
1 1 1 -2  7   16 o 386.7985 19.96552 0.000000       0.000000  33.31137       3.375939  ?              ?        
1 1 1 -2  7   17 o 188.3923 25.82692 8.028976       3.207189  8.134853       2.728279  -3.185577      53.65765 
1 1 1 -2  7   18 f 206.2998 21.50747 9.437921       2.920462  9.771743       2.542598  -5.746719      45.17411 
1 1 1 -2  7   19 o 177.7579 24.99414 8.845994       2.947312  6.254046       2.474329  30.75308       51.48081 
1 1 1 -2  7   20 o 157.2069 29.21446 4.812151       2.866779  6.936982       2.635954  -29.37997      56.81278 
1 1 1 -2  7   21 o 233.1059 20.01349 14.57695       2.968518  10.83317       2.773374  36.43918       42.05081 
1 1 1 -2  7   22 o 243.7283 19.77201 14.49659       3.103966  13.24035       2.840835  9.533936       41.39701 
1 1 1 -2  7   23 o 140.7161 31.06938 6.636877       2.809515  4.104436       2.496886  30.79494       57.76515 
1 1 1 -2  7   24 o 62.04662 28.54229 -2.158657      2.777365  0.4035350      2.330571  -9.485664      47.47376 
1 1 1 -2  7   25 o 91.22136 34.28041 1.133278       2.744467  3.235438       2.530545  -18.03246      54.59155 
1 1 1 -2  8   1  o 353.6061 14.86433 26.62654       3.069900  28.77502       3.473830  -13.43579      29.98917 
1 1 1 -2  8   2  o 281.7949 16.22294 17.41908       2.690180  17.70308       2.979624  -1.874084      32.87797 
1 1 1 -2  8   3  o 136.2214 28.34632 5.490407       2.270406  2.950618       2.367080  36.31159       52.21484 
1 1 1 -2  8   4  o 296.3067 14.97120 19.51213       2.724598  19.24865       2.761510  2.098633       30.15467 
1 1 1 -2  8   5  o 315.9535 14.49313 22.72120       2.880220  21.38908       2.787991  9.548645       29.16310 
1 1 1 -2  8   6  o 206.2857 20.01164 11.25832       2.738812  8.211829       2.360416  33.17770       41.06906 
1 1 1 -2  8   7  o 110.6958 31.17049 4.108643       2.398775  1.883493       2.093810  32.63646       53.32719 
1 1 1 -2  8   8  o 193.2352 21.50823 8.488018       2.668295  8.387523       2.419010  0.7872009E-01  44.71764 
1 1 1 -2  8   9  o 419.4774 13.73548 36.20682       3.503193  41.92175       3.639292  -30.95010      27.66026 
1 1 1 -2  8   10 o 298.2903 16.36530 18.35999       3.057792  21.16209       2.976955  -21.99426      33.30154 
1 1 1 -2  8   11 o 330.0717 20.37760 0.000000       0.000000  24.31085       2.935892  ?              ?        
1 1 1 -2  8   12 o 497.0128 13.80084 51.08828       4.197478  58.02881       4.306165  -31.82523      27.72612 
1 1 1 -2  8   13 o 387.8845 14.57465 32.36753       3.589551  33.95310       3.417966  -9.617523      29.37614 
1 1 1 -2  8   14 o 266.0982 17.59587 13.97399       2.958928  17.30523       2.822276  -29.45114      36.15765 
1 1 1 -2  8   15 f 447.2084 14.03304 44.44724       4.028037  43.95124       3.761849  2.091644       28.26368 
1 1 1 -2  8   16 o 192.7157 24.31273 9.888030       3.047328  7.297593       2.673138  29.86673       50.12644 
1 1 1 -2  8   17 o 254.4722 20.81030 17.87025       3.571089  12.11546       3.012397  50.34430       42.60340 
1 1 1 -2  8   18 o 372.1711 15.47953 28.69626       3.678925  32.63529       3.462666  -25.06519      31.51263 
1 1 1 -2  8   19 o 385.1782 14.89442 30.22130       3.596254  35.78460       3.509486  -33.69110      30.29852 
1 1 1 -2  8   20 o 329.5556 15.58556 25.06589       3.376118  23.85948       3.009635  6.601105       31.80386 
1 1 1 -2  8   21 o 106.3524 34.83741 5.460485       2.822284  0.8620311      2.505773  52.26217       56.40154 
1 1 1 -2  8   22 o 278.0068 18.23442 17.30532       3.300712  18.27441       2.978505  -11.44339      38.19902 
1 1 1 -2  8   23 o 135.7575 32.50061 7.799337       2.919206  2.875946       2.524763  58.96177       57.06057 
1 1 1 -2  8   24 o 68.87971 31.50047 -1.580009      3.933506  0.8686538E-01  2.536609  4.976288       52.52414 
1 1 1 -2  8   25 o 99.11665 36.14384 5.351154       3.935114  2.039247       2.386316  27.22315       60.62234 
1 1 1 -2  9   1  f 401.5153 15.41406 35.36051       3.619144  35.90847       4.087505  -2.441742      31.20700 
1 1 1 -2  9   2  o 78.93899 32.81536 0.4391211E-01  2.455381  0.8322617      2.899547  -13.72227      55.12309 
1 1 1 -2  9   3  o 86.74826 33.45745 1.984903       2.382173  0.1885640E-01  2.752543  14.18723       54.96259 
1 1 1 -2  9   4  o 136.1564 30.38497 5.779874       2.372448  2.486828       2.653413  43.57726       54.29212 
1 1 1 -2  9   5  o 379.6544 14.61943 31.19306       3.379261  32.55624       3.496857  -8.040833      29.41155 
1 1 1 -2  9   6  o 88.37728 32.81594 0.8867483      2.458144  1.886473       2.339344  -9.246017      54.08735 
1 1 1 -2  9   7  o 305.6552 17.08321 19.07156       3.410562  22.17627       3.068764  -24.59052      35.22531 
1 1 1 -2  9   8  o 110.1427 33.35607 0.4332576      2.574197  4.882340       2.385682  -52.31242      53.48953 
1 1 1 -2  9   9  o 122.1521 34.47915 5.694427       3.034423  2.100055       2.496046  46.78169       58.77854 
1 1 1 -2  9   10 o 603.9098 14.05130 85.29815       5.485278  76.61779       5.067273  32.08441       28.27795 
1 1 1 -2  9   11 o 543.2652 16.41533 56.22603       6.607676  70.17312       4.844959  -63.33554      36.16674 
1 1 1 -2  9   12 o 522.4656 14.52377 62.77448       4.930893  58.07325       4.503217  20.02350       29.20083 
1 1 1 -2  9   13 o 98.09511 35.69196 -1.381986      2.971275  4.407120       2.675373  -53.75291      55.97641 
1 1 1 -2  9   14 o 597.3572 14.50077 80.70486       5.479285  76.88310       5.273246  14.35101       29.15164 
1 1 1 -2  9   15 o 278.8641 18.18499 19.25607       3.261936  15.67131       3.010335  29.01608       36.91301 
1 1 1 -2  9   16 o 315.1875 18.01171 24.05944       3.649571  20.40466       3.379822  26.05701       36.45417 
1 1 1 -2  9   17 o 414.9046 16.10319 38.89030       4.299642  37.57491       3.990930  6.574585       32.51448 
1 1 1 -2  9   18 o 121.8618 34.50135 3.805211       2.883886  3.368143       2.590534  6.721001       59.59451 
1 1 1 -2  9   19 o 329.7746 16.46547 24.97961       3.499493  23.86329       3.231713  6.653473       33.48370 
1 1 1 -2  9   20 o 156.2576 29.39054 6.773364       2.954298  5.320387       2.573507  17.21072       57.57427 
1 1 1 -2  9   21 o 128.9666 33.78821 2.550584       2.898019  5.821660       2.596678  -39.71111      57.70206 
1 1 1 -2  9   22 o 176.9043 26.17465 8.995641       3.135767  6.858738       2.531698  19.91699       55.27481 
1 1 1 -2  9   23 o 85.61134 33.97899 0.7117560E-01  2.996646  2.709107       2.462731  -17.73849      54.15935 
1 1 1 -2  9   24 o 121.1684 34.81755 2.439842       3.027678  5.542015       2.545513  -35.45801      57.57164 
1 1 1 -2  9   25 o 65.36292 29.59243 -0.9252689     2.754223  0.6345078      2.431515  -6.179207      48.24381 
1 1 1 -2  10  1  o 213.6859 24.73891 11.55951       3.195312  9.099352       3.242671  27.50493       51.65514 
1 1 1 -2  10  2  o 169.1340 30.12380 6.780702       2.879536  6.456649       3.241803  4.827225       59.35120 
1 1 1 -2  10  3  o 586.2190 18.15822 72.78114       5.322371  87.81091       9.676477  -47.32654      41.65191 
1 1 1 -2  10  4  o 235.6034 21.76104 11.92602       2.995200  13.15245       3.318488  -10.95589      44.82178 
1 1 1 -2  10  5  o 309.4371 24.78678 21.62498       3.336180  0.000000       0.000000  ?              ?        
1 1 1 -2  10  6  o 68.39620 31.14972 -0.8081967     3.582687  -1.298600      2.512065  19.73832       54.73938 
1 1 1 -2  10  7  o 95.98872 36.80820 4.540725       3.766377  0.1103375      2.657443  52.27722       62.28961 
1 1 1 -2  10  8  o 100.4801 35.51678 2.213626       2.901637  2.035141       2.641148  4.480370       58.82429 
1 1 1 -2  10  9  o 226.5996 21.22080 10.39157       3.075628  12.57216       2.835381  -23.93117      44.61620 
1 1 1 -2  10  10 o 387.3413 16.06299 31.59188       3.965670  34.70926       3.746053  -18.99850      32.55672 
1 1 1 -2  10  11 o 445.4479 15.21720 46.77195       4.503906  41.56858       3.948086  25.84631       30.67441 
1 1 1 -2  10  12 o 120.3867 35.32106 3.989336       2.978783  2.810353       2.665513  16.37564       60.42727 
1 1 1 -2  10  13 o 315.3257 17.54066 22.07975       3.628149  22.01826       3.239715  -0.3573303     35.67374 
1 1 1 -2  10  14 o 428.9119 15.70352 40.37503       4.317936  41.00724       4.038241  -3.914154      31.70094 
1 1 1 -2  10  15 o 99.62664 36.53914 2.345589       3.101766  1.539693       2.828143  10.90187       60.43171 
1 1 1 -2  10  16 o 103.1233 37.55571 1.738933       3.315504  2.339636       2.945302  -1.872475      62.05142 
1 1 1 -2  10  17 o 68.04448 31.25141 -1.679566      3.099256  -1.123787      2.928274  -0.6884384     53.60934 
1 1 1 -2  10  18 o 258.9583 20.27661 16.60180       3.368101  13.90339       3.109781  23.11966       41.62550 
1 1 1 -2  10  19 o 251.0698 20.10433 14.50023       3.183684  14.21950       3.031839  1.650391       41.52982 
1 1 1 -2  10  20 o 200.8996 24.12409 11.73158       3.116089  7.700265       2.801597  44.73709       50.98586 
1 1 1 -2  10  21 o 161.8943 30.62319 5.088141       3.062672  8.061164       2.872022  -39.41290      59.29663 
1 1 1 -2  10  22 o 127.0237 35.90881 2.657616       3.157290  5.877497       2.786526  -35.99834      60.06976 
1 1 1 -2  10  23 o 146.5655 33.25447 4.846917       3.139415  6.842015       2.797651  -27.38596      60.95255 
1 1 1 -2  10  24 o 82.71511 34.90240 0.4903197      4.059014  1.738384       2.565097  1.128990       56.29639 
1 1 1 -2  10  25 o 131.3801 42.93905 8.602516       4.687679  4.901645       3.584426  19.47482       69.73370 
1 1 1 -2  11  1  o 105.0995 39.11477 1.946854       3.556061  2.239963       3.277952  0.1487350      64.46766 
1 1 1 -2  11  2  o 96.99273 40.72592 1.020879       4.144183  0.2840997      4.141426  4.933075       67.53735 
1 1 1 -2  11  3  o 101.7407 40.64576 -1.073397      3.837279  4.085234       3.913695  -40.06152      66.38610 
1 1 1 -2  11  4  o 87.05479 38.45959 3.564745       4.066057  -4.685881      4.089445  49.61133       64.44407 
1 1 1 -2  11  5  f 83.86321 38.13535 -0.4716244     4.155725  -2.631602      4.548463  6.334007       64.70190 
1 1 1 -2  11  6  o 139.3202 43.44965 4.792801       4.070103  4.537705       4.258078  1.513474       73.14850 
1 1 1 -2  11  7  o 274.1704 23.74120 19.41650       4.783802  15.73626       3.504395  25.14481       50.16156 
1 1 1 -2  11  8  f 120.1398 36.16930 0.2977929      2.954778  6.315798       2.878156  -66.74274      57.30644 
1 1 1 -2  11  9  o 285.2014 20.08213 16.79204       3.594637  19.44370       3.469003  -22.07657      41.16546 
1 1 1 -2  11  10 o 164.1244 29.91043 6.883935       3.031911  5.649723       2.843202  15.80757       58.22399 
1 1 1 -2  11  11 o 535.0186 15.48235 65.28352       5.436122  61.51761       4.875387  15.31940       31.20302 
1 1 1 -2  11  12 f 142.2081 34.79942 3.186411       3.310014  5.888960       2.833880  -30.82481      61.47048 
1 1 1 -2  11  13 o 401.5190 16.33351 34.17545       4.238239  36.97512       3.901985  -16.69757      33.15936 
1 1 1 -2  11  14 o 211.1292 24.47705 11.20786       3.371091  9.261904       2.961334  19.87242       50.76088 
1 1 1 -2  11  15 o 268.2815 21.11164 17.84744       3.695006  14.77607       3.307369  25.26201       43.16539 
1 1 1 -2  11  16 o 266.3510 22.90343 14.53300       3.847345  17.26742       3.654978  -25.01393      47.65272 
1 1 1 -2  11  17 o 145.4871 36.89808 5.661393       3.559273  4.718562       3.147373  11.61934       65.76292 
1 1 1 -2  11  18 o 195.9309 28.85157 5.735795       3.563050  11.79435       3.260545  -71.57849      59.21797 
1 1 1 -2  11  19 o 171.4715 34.80022 5.871144       4.328609  8.091466       3.114093  -29.48067      66.83897 
1 1 1 -2  11  20 f 377.3081 20.01170 30.84271       5.512298  33.85001       4.120010  -31.19672      44.40285 
1 1 1 -2  11  21 o 183.0300 37.87460 8.632871       4.343081  9.591134       3.995289  -13.87283      72.80312 
1 1 1 -2  11  22 o 134.1223 41.55793 7.193242       4.277253  4.291669       3.473595  23.08084       69.68190 
1 1 1 -2  11  23 o 100.6687 40.24332 8.224772       4.321683  -0.3528289     3.432260  58.89841       64.92214 
1 1 1 -2  11  24 o 91.11132 39.10176 -0.5011228E-01 4.251569  3.715532       3.727796  -17.77116      61.05164 
1 1 1 -2  11  25 o 65.41799 31.05373 0.4086208      4.148864  -1.714550      2.954288  16.45961       51.93920 
1 1 1 -2  12  1  o 277.1555 28.41412 18.04531       4.468119  16.74580       5.260309  14.95972       60.52023 
1 1 1 -2  12  2  o 147.0411 46.79971 4.188680       4.521175  6.412387       5.147813  -22.07094      78.66801 
1 1 1 -2  12  3  o 181.7164 49.29113 7.146806       4.906545  10.49615       7.051598  -30.09723      88.06809 
1 1 1 -2  12  4  o 455.6813 26.14027 43.71280       6.476068  52.94151       8.738044  -37.41064      54.69378 
1 1 1 -2  12  5  o 130.5565 49.21641 5.909304       4.660820  -1.961004      6.782909  32.73676       79.07560 
1 1 1 -2  12  6  o 89.58484 40.54149 -0.1278436     4.095954  -4.482505      6.196219  -3.685165      69.44839 
1 1 1 -2  12  7  f 273.8640 23.13837 17.97936       3.673449  15.44935       4.159936  23.74817       48.73000 
1 1 1 -2  12  8  o 222.9895 30.02191 11.13836       3.502260  11.89389       4.965143  -2.054047      64.63847 
1 1 1 -2  12  9  o 385.2651 25.88542 32.51215       6.438687  33.92393       5.897667  -10.12506      53.11491 
1 1 1 -2  12  10 o 549.5716 23.17114 69.80856       8.206718  65.03104       7.592225  18.71460       46.85550 
1 1 1 -2  12  11 o 429.6245 23.34781 35.54195       6.088323  47.19721       6.315783  -62.24490      47.61572 
1 1 1 -2  12  12 o 195.3140 40.16201 9.202657       5.135950  8.912360       4.364333  2.367325       76.38198 
1 1 1 -2  12  13 o 142.6184 45.55423 6.791151       4.886334  3.198669       4.272375  35.24277       76.30683 
1 1 1 -2  12  14 o 178.5387 41.55203 9.496388       4.813208  6.338607       4.266642  32.10599       75.63212 
1 1 1 -2  12  15 o 281.9311 33.06073 17.74578       5.972856  18.85719       5.412814  -12.39725      69.82555 
1 1 1 -2  12  16 o 326.6828 30.91989 34.13190       7.034257  18.47432       5.593160  103.9044       64.78782 
1 1 1 -2  12  17 o 93.06195 41.47798 -0.4869966     5.180827  -0.8024148     4.572578  7.921478       69.65604 
1 1 1 -2  12  18 o 144.3698 45.88362 3.548197       4.847093  6.927293       4.420782  -27.44582      75.80702 
1 1 1 -2  12  19 o 142.0729 44.41832 5.143887       4.622185  5.717558       4.113482  -4.574738      74.27631 
1 1 1 -2  12  20 o 201.4558 36.73117 10.23466       4.531672  11.09844       4.318280  -11.59718      73.82257 
1 1 1 -2  12  21 o 275.7564 29.32239 21.03245       5.404887  17.80505       4.575954  14.19766       65.49598 
1 1 1 -2  12  22 o 95.23038 38.96287 -0.8891329     3.477649  6.032352       3.868135  -48.13509      62.43765 
1 1 1 -2  12  23 o 147.4885 38.77898 7.119950       3.451781  6.458309       3.755936  9.836922       67.70742 
1 1 1 -2  12  24 o 99.99770 40.35844 3.110167       3.510684  3.659327       4.344504  -3.463814      62.77406 
1 1 1 -2  12  25 o 53.32887 26.67717 -3.228513      3.453605  -6.723041      3.994801  3.689049       45.49826 
1 1 1 -2  13  1  o 138.9492 42.21820 3.682589       4.310954  5.029425       3.682288  -9.326233      71.51978 
1 1 1 -2  13  2  o 106.6074 40.70322 1.337008       3.949689  2.356529       3.567941  -4.354195      67.14915 
1 1 1 -2  13  3  o 255.5607 24.33681 13.64587       3.684517  15.88396       3.952770  -19.64789      50.11144 
1 1 1 -2  13  4  o 345.9247 20.94341 24.13879       4.120640  30.30342       4.934787  -38.83704      42.55664 
1 1 1 -2  13  5  o 305.9464 23.05950 24.26050       4.012705  16.27895       4.774091  65.04065       51.34323 
1 1 1 -2  13  6  o 140.4904 39.64702 3.292634       3.201443  6.995899       4.213525  -44.09536      68.85397 
1 1 1 -2  13  7  o 179.5925 36.25840 11.63612       3.574171  1.561917       4.335111  100.9172       62.94723 
1 1 1 -2  13  8  o 101.0948 43.45085 0.2175182      4.401704  -0.2929271     5.643454  -10.90282      73.37594 
1 1 1 -2  13  9  o 331.3060 29.25538 24.37488       5.557940  25.26773       6.440625  -3.369415      60.82357 
1 1 1 -2  13  10 o 199.8852 37.94698 13.22315       4.798669  6.243811       4.307275  71.17552       71.46107 
1 1 1 -2  13  11 o 376.1823 24.86471 27.68952       5.714804  35.90599       5.826272  -50.58875      51.04879 
1 1 1 -2  13  12 o 279.4151 32.74728 18.25928       6.066681  17.73226       5.175687  0.1283264      69.19188 
1 1 1 -2  13  13 o 149.7552 47.13189 3.796185       4.783313  7.109439       4.992901  -29.45111      78.78780 
1 1 1 -2  13  14 o 160.4787 47.54321 7.589742       5.297862  5.206820       4.867528  22.25269       80.95164 
1 1 1 -2  13  15 o 328.1977 31.39780 22.89868       6.425664  26.46327       6.208660  -27.13864      66.02554 
1 1 1 -2  13  16 o 223.6219 41.98123 6.482318       5.941263  16.86067       5.328109  -94.70717      78.31475 
1 1 1 -2  13  17 o 209.9544 43.44396 9.274961       5.751451  12.72830       5.228672  -34.42908      82.20069 
1 1 1 -2  13  18 f 215.4722 42.05800 12.01722       5.901507  12.01435       5.039441  -6.465012      82.53391 
1 1 1 -2  13  19 o 402.6307 29.30287 42.79316       7.540039  36.07299       7.024501  34.37329       62.67595 
1 1 1 -2  13  20 o 126.6458 47.03106 2.328340       5.417765  6.668851       4.542564  -26.44096      73.93934 
1 1 1 -2  13  21 o 95.07536 41.60480 2.476080       5.056794  0.6226878      4.357954  12.33833       66.80683 
1 1 1 -2  13  22 o 69.84664 33.84044 -1.499547      5.054054  -3.618480      4.144377  12.94603       56.90409 
1 1 1 -2  13  23 o 96.14230 41.46074 4.308257       5.095305  1.869543       4.070978  12.37112       64.50979 
1 1 1 -2  13  24 o 104.4218 43.57339 3.703353       5.490323  4.851188       4.172363  -6.562424      65.48081 
1 1 1 -2  13  25 o 78.58192 37.07832 0.4633256E-01  5.551167  1.151403       4.170270  0.4090652      57.39763 
1 1 1 -2  14  1  o 111.0876 41.83064 5.150393       4.319890  0.1851287E-01  3.616931  50.46419       69.09658 
1 1 1 -2  14  2  o 407.2565 20.86643 37.56383       5.499452  36.16444       5.038561  7.061157       42.24325 
1 1 1 -2  14  3  o 179.4933 36.44213 6.687123       3.948940  8.320091       3.889465  -18.32585      68.83896 
1 1 1 -2  14  4  o 166.3939 36.45080 7.513831       3.568146  5.343765       3.755154  24.66640       67.10815 
1 1 1 -2  14  5  o 653.0956 18.01035 95.95638       7.054943  92.44975       7.549219  13.06189       36.34872 
1 1 1 -2  14  6  o 189.5732 34.30555 9.933743       3.534450  5.878225       4.368058  44.89148       66.95464 
1 1 1 -2  14  7  o 338.2966 22.39607 24.74211       4.173043  26.80396       5.411514  -10.99786      46.70505 
1 1 1 -2  14  8  o 224.8265 29.30519 10.73635       3.518650  12.88527       4.721038  -17.74623      61.75504 
1 1 1 -2  14  9  o 94.53831 38.73823 0.9310700      3.276914  0.6745057      4.106050  -8.309547      64.78589 
1 1 1 -2  14  10 o 121.9993 40.54027 3.875556       3.383488  2.572416       3.825524  9.144386       67.45861 
1 1 1 -2  14  11 o 285.4716 23.52196 22.51289       4.248357  14.59568       4.018132  64.28204       49.16964 
1 1 1 -2  14  12 o 94.17563 38.12535 1.225880       3.737006  0.9270173      3.233361  8.279465       63.27614 
1 1 1 -2  14  13 f 202.6754 42.95988 9.992647       3.700393  0.000000       0.000000  ?              ?        
1 1 1 -2  14  14 o 132.2690 41.56470 4.312737       4.042372  3.952767       3.597148  6.079330       70.08754 
1 1 1 -2  14  15 o 199.7412 37.40555 -1.921968      4.441950  21.30564       4.487196  -201.6063      57.23806 
1 1 1 -2  14  16 o 106.9810 40.61337 0.2748864      3.791331  4.043399       3.642113  -29.46488      65.91261 
1 1 1 -2  14  17 o 101.6708 40.06493 1.135039       3.788399  2.554054       3.648350  -9.639610      65.37276 
1 1 1 -2  14  18 o 84.55485 37.13465 -0.9255461     4.006269  0.9120613      3.536363  -6.027176      61.25146 
1 1 1 -2  14  19 o 181.0202 35.47472 7.300937       4.197454  9.470543       3.562199  -29.64230      68.85452 
1 1 1 -2  14  20 o 86.55010 36.83384 0.7688759E-01  3.857360  1.943432       3.171737  -6.674355      59.24758 
1 1 1 -2  14  21 f 152.9364 38.98967 3.848336       4.026088  9.156574       3.457633  -56.00499      65.88763 
1 1 1 -2  14  22 o 106.7942 39.33124 2.350296       3.917145  4.455398       3.088954  -15.57268      61.80700 
1 1 1 -2  14  23 o 134.6602 39.57183 6.787028       3.834466  5.685930       3.277787  4.488075       66.21812 
1 1 1 -2  14  24 o 78.19218 34.34283 0.6194229      3.619148  2.008355       2.910252  -4.713806      53.52399 
1 1 1 -2  14  25 o 65.46719 30.53887 1.876454       3.437140  -1.171438      2.763036  16.97483       49.56888 
1 1 1 -2  15  1  o 216.7525 37.45090 9.434827       5.486293  11.88493       4.398813  -26.24371      75.01291 
1 1 1 -2  15  2  o 83.11922 37.70237 -1.604229      4.489953  -1.519610      3.973650  6.466919       64.59465 
1 1 1 -2  15  3  o 373.1584 22.78649 29.27662       5.338032  32.66946       5.165083  -21.50867      46.41401 
1 1 1 -2  15  4  o 101.5379 39.92571 0.2468270      3.523394  2.908493       3.867788  -25.59749      66.09460 
1 1 1 -2  15  5  o 99.03114 39.48051 0.6213419      3.507661  1.984258       3.807313  -14.40215      65.46049 
1 1 1 -2  15  6  o 97.21704 39.32539 -1.163105      3.386272  4.214190       4.055035  -50.44287      65.54547 
1 1 1 -2  15  7  o 312.3989 23.67217 20.32748       4.121635  24.25096       5.156813  -25.92331      48.79557 
1 1 1 -2  15  8  o 220.6332 31.63995 10.02195       3.732992  13.24822       4.922866  -28.72339      65.60884 
1 1 1 -2  15  9  o 178.8407 37.72031 9.817126       3.638804  3.966213       4.650180  59.54559       68.69736 
1 1 1 -2  15  10 o 71.94054 33.57617 -2.078926      3.336769  -2.527627      4.183713  -9.819717      58.56866 
1 1 1 -2  15  11 f 147.3042 40.52441 5.129590       3.620060  5.394151       4.053726  -4.136139      70.53908 
1 1 1 -2  15  12 o 138.8947 44.19917 -0.1344607     4.280032  9.298644       4.290374  -84.03513      69.11486 
1 1 1 -2  15  13 o 181.7914 52.59770 8.302228       4.432172  0.000000       0.000000  ?              ?        
1 1 1 -2  15  14 o 411.0127 20.90487 42.32260       5.658722  34.40945       5.022747  42.14142       42.46465 
1 1 1 -2  15  15 o 88.78323 38.05233 0.1258300      3.833921  0.4389282      3.661708  -0.7730865E-01 63.19007 
1 1 1 -2  15  16 o 159.1533 39.67597 5.628156       3.933586  7.205039       3.873500  -16.85497      70.80475 
1 1 1 -2  15  17 o 218.3406 30.62028 8.537008       4.070188  14.48125       3.997610  -64.28020      64.27585 
1 1 1 -2  15  18 o 95.00408 39.35637 -1.682182      3.946837  4.189779       3.655903  -36.69059      63.16565 
1 1 1 -2  15  19 o 88.60193 38.01783 -0.4044134     4.026406  2.269886       3.516974  -12.11681      61.17790 
1 1 1 -2  15  20 o 138.8999 41.51771 5.229217       4.023180  6.456396       3.701123  -12.60989      69.42435 
1 1 1 -2  15  21 o 89.32265 38.05743 0.8582813      3.991796  2.438046       3.474110  -6.642105      60.16861 
1 1 1 -2  15  22 o 58.96684 28.80435 -0.5710460     3.897215  -4.097221      3.162027  18.09986       49.53177 
1 1 1 -2  15  23 o 79.63158 35.33652 4.439123       4.002368  -0.6426266     3.119881  28.93729       57.18165 
1 1 1 -2  15  24 o 87.95171 36.95166 3.173836       3.815907  2.472975       3.116623  3.782074       56.62329 
1 1 1 -2  15  25 o 100.0910 38.75303 7.820748       3.989894  2.221492       3.050692  29.44612       59.97546 
1 1 1 -2  16  1  o 118.8558 46.52204 0.6613559      5.800084  3.159467       4.434236  -4.231064      76.80437 
1 1 1 -2  16  2  o 130.5744 51.04782 0.000000       0.000000  2.825483       4.237235  ?              ?        
1 1 1 -2  16  3  o 208.4704 36.68747 11.78237       4.833396  8.886878       4.347498  28.77617       72.29102 
1 1 1 -2  16  4  o 300.3434 25.06500 19.96459       4.537365  20.66944       4.722809  -4.844543      51.44907 
1 1 1 -2  16  5  o 144.0476 41.60915 5.264837       3.785047  4.532133       4.083035  6.085266       71.32158 
1 1 1 -2  16  6  o 370.6570 51.64792 0.000000       0.000000  33.26674       8.169300  ?              ?        
1 1 1 -2  16  7  o 211.3896 33.50425 12.06219       4.045891  8.381205       4.481544  40.50243       67.90948 
1 1 1 -2  16  8  o 142.9212 43.07163 2.849328       3.650040  8.512074       4.878719  -59.50637      73.34663 
1 1 1 -2  16  9  f 124.3650 43.03585 3.319339       3.589654  3.592505       4.725618  -10.56404      72.08588 
1 1 1 -2  16  10 o 402.4389 22.52274 45.22702       5.369970  25.81517       5.862766  116.8432       49.79879 
1 1 1 -2  16  11 o 138.0557 45.63513 4.498240       4.116372  4.350363       5.138425  -4.582550      76.48460 
1 1 1 -2  16  12 o 207.5318 67.68388 11.45318       7.076613  0.000000       0.000000  ?              ?        
1 1 1 -2  16  13 f 389.1820 32.93798 35.17361       5.570027  0.000000       0.000000  ?              ?        
1 1 1 -2  16  14 o 440.8339 21.42354 47.95460       6.030859  40.30970       5.667840  38.60425       43.67978 
1 1 1 -2  16  15 o 86.37450 40.54537 0.000000       0.000000  -2.855999      3.896573  ?              ?        
1 1 1 -2  16  16 o 301.1872 24.92940 19.66839       4.723766  22.55247       4.515182  -24.93857      52.83722 
1 1 1 -2  16  17 o 148.3386 40.78458 2.015747       3.881015  9.915407       3.857189  -76.99709      66.18017 
1 1 1 -2  16  18 o 82.63549 36.42803 1.314651       3.765995  -0.5314407     3.524934  12.75228       59.74103 
1 1 1 -2  16  19 o 127.6537 42.51603 5.795035       4.209877  4.565120       3.718853  8.879921       69.25084 
1 1 1 -2  16  20 o 84.05019 37.22673 0.6060046      3.928709  1.068298       3.764666  -1.387909      59.64982 
1 1 1 -2  16  21 o 75.50047 34.71024 1.119752       3.969627  -0.7075724     3.522427  10.75486       56.04337 
1 1 1 -2  16  22 o 75.74845 34.78168 3.207682       3.995567  -1.397602      3.503986  21.81403       55.80434 
1 1 1 -2  16  23 o 81.44073 36.27951 0.1045842      3.917955  3.090191       3.522019  -12.46378      55.94684 
1 1 1 -2  16  24 o 76.32330 37.12865 0.4105894      3.962619  0.000000       0.000000  ?              ?        
1 1 1 -2  17  1  o 336.0562 32.08069 22.50706       7.283050  27.99953       6.089207  -44.50793      70.13192 
1 1 1 -2  17  2  o 447.5311 26.04234 40.08588       7.570955  49.06552       6.876025  -49.23874      54.27769 
1 1 1 -2  17  3  o 305.3671 30.69492 26.70247       6.015897  16.77458       5.491184  74.63019       64.61797 
1 1 1 -2  17  4  o 85.05209 38.33941 -6.115795      4.320351  3.408374       4.225636  -52.17839      65.01931 
1 1 1 -2  17  5  o 105.4567 41.85733 4.190282       4.049192  -1.075187      4.118296  38.62329       68.21779 
1 1 1 -2  17  6  o 155.5548 42.28672 4.064839       4.009180  8.003482       4.389935  -40.74802      72.93056 
1 1 1 -2  17  7  o 95.59610 40.68334 -2.283626      4.064119  3.436869       4.410369  -41.38232      67.91618 
1 1 1 -2  17  8  o 153.5823 45.03090 8.359756       4.354600  2.485391       4.814281  51.35225       74.46635 
1 1 1 -2  17  9  o 192.3276 43.13616 10.22013       4.422184  6.788226       5.949358  32.03113       79.52773 
1 1 1 -2  17  10 o 235.6993 33.98407 14.71237       4.384250  10.30969       5.433745  47.51833       71.80052 
1 1 1 -2  17  11 o 71.44127 34.69480 -2.585418      4.308305  -10.11592      5.627346  8.774307       61.28765 
1 1 1 -2  17  12 o 116.9339 52.17806 0.000000       0.000000  -0.5367774     5.441573  ?              ?        
1 1 1 -2  17  13 o 94.46363 41.63976 -2.161483      4.260699  2.999695       5.473330  -39.81530      71.16248 
1 1 1 -2  17  14 o 291.0149 28.43288 17.55948       4.817831  22.76156       5.360197  -38.33588      60.19023 
1 1 1 -2  17  15 o 263.5048 29.11775 18.18382       4.613894  14.93303       4.749490  31.62506       62.91522 
1 1 1 -2  17  16 o 167.2471 39.95223 5.838629       3.890918  9.576153       4.318262  -36.27359      72.25922 
1 1 1 -2  17  17 o 95.87279 40.27874 2.939955       3.943523  0.6118558E-01  4.178557  15.89914       64.78078 
1 1 1 -2  17  18 o 153.5574 39.89296 8.954537       3.996392  5.298915       3.689635  33.91061       69.87149 
1 1 1 -2  17  19 o 97.04636 39.66628 7.287962       4.041295  -1.377963      3.573533  58.88813       63.39164 
1 1 1 -2  17  20 f 66.35475 31.94661 -1.721663      4.045649  -2.280279      3.743305  4.279099       52.98562 
1 1 1 -2  17  21 o 88.43578 38.22590 2.955584       4.023448  1.643649       3.681104  7.267143       59.31683 
1 1 1 -2  17  22 o 76.40247 35.12018 1.617834       4.067280  0.2395937      3.600789  7.200912       55.12065 
1 1 1 -2  17  23 o 71.51763 33.70211 3.693354       4.197762  -1.784429      3.613911  20.28812       53.36878 
1 1 1 -2  17  24 o 63.70584 30.91124 0.6875864      4.070921  -1.820988      3.607365  8.705864       48.94965 
1 1 1 -2  18  1  o 171.4053 52.10081 5.333961       6.883461  8.443391       5.430745  -18.98564      87.84301 
1 1 1 -2  18  2  o 455.9856 26.25377 64.63822       8.536313  36.22381       6.615079  134.5550       53.61066 
1 1 1 -2  18  3  o 61.16667 31.00310 -16.36904      6.538527  -13.32679      5.528930  5.371262       57.90107 
1 1 1 -2  18  4  o 123.5496 47.35832 4.771284       5.033824  0.6436596      5.131632  28.02654       77.37820 
1 1 1 -2  18  5  o 164.4585 46.67058 3.660223       4.733155  10.23831       5.272890  -60.82156      78.73762 
1 1 1 -2  18  6  o 371.4984 24.73067 33.62840       5.614645  28.46765       5.720199  32.90570       50.86209 
1 1 1 -2  18  7  o 300.4705 29.41571 20.78739       5.164546  20.49574       5.700147  5.058197       61.69734 
1 1 1 -2  18  8  o 76.35827 36.63830 -5.295485      4.991418  -3.855623      5.033136  -5.872551      64.25222 
1 1 1 -2  18  9  o 363.2824 38.68461 0.000000       0.000000  31.25388       6.069600  ?              ?        
1 1 1 -2  18  10 o 139.7961 46.65398 5.337358       4.261544  3.686077       5.444319  7.449005       77.50400 
1 1 1 -2  18  11 o 405.5171 24.45272 43.11101       5.815603  30.54757       6.483789  77.72116       52.92263 
1 1 1 -2  18  12 o 134.8357 55.57447 0.000000       0.000000  3.398132       5.311368  ?              ?        
1 1 1 -2  18  13 o 87.76292 39.26451 -1.065929      3.871375  0.5394437      5.188973  -21.18529      66.70897 
1 1 1 -2  18  14 o 101.9251 43.01209 -4.222353      4.149092  10.99342       5.415706  -105.4440      71.00098 
1 1 1 -2  18  15 o 91.72235 40.42407 1.066740       4.075346  -0.5496477     5.033289  0.6918488      66.15216 
1 1 1 -2  18  16 o 164.6826 42.00918 8.595255       4.064614  6.625968       4.592876  22.02248       74.12730 
1 1 1 -2  18  17 o 119.5622 43.06037 3.795815       3.843037  5.229285       4.364649  -10.43274      69.02383 
1 1 1 -2  18  18 o 83.10815 37.49883 0.8599833      3.989161  0.5800255E-01  4.216634  2.337616       60.22061 
1 1 1 -2  18  19 o 126.1044 43.98503 5.638196       4.152295  5.611389       4.305601  0.7946930      69.55042 
1 1 1 -2  18  20 o 76.06960 35.11349 0.4504447      3.881146  0.2069273      3.855027  1.124702       55.75840 
1 1 1 -2  18  21 o 78.19989 37.88560 -0.1135021     4.015304  0.000000       0.000000  ?              ?        
1 1 1 -2  18  22 o 64.74459 31.33719 -1.432676      4.039884  -0.9498697     3.705278  0.2846451      50.16529 
1 1 1 -2  18  23 o 82.06522 36.66764 4.600195       4.035198  1.051827       3.625082  14.17146       55.31023 
1 1 1 -2  18  24 o 66.19862 33.61990 0.000000       0.000000  -3.793124      5.133698  ?              ?        
1 1 1 -2  19  1  o 77.35549 37.74558 -6.629834      7.078708  -6.805727      5.185866  20.05002       68.00807 
1 1 1 -2  19  2  o 205.8159 50.15677 7.822280       7.072028  12.91301       5.802907  -42.87805      89.08340 
1 1 1 -2  19  3  o 181.1560 52.53110 9.549552       7.122399  7.810228       5.629322  14.72867       90.72889 
1 1 1 -2  19  4  o 294.5036 52.35368 22.06285       6.515172  0.000000       0.000000  ?              ?        
1 1 1 -2  19  5  o 107.8684 44.37480 4.921781       4.669458  -2.432443      4.892299  44.59179       72.08549 
1 1 1 -2  19  6  o 106.0722 43.43947 -0.3926877     4.476258  3.381276       4.630417  -26.32121      71.38480 
1 1 1 -2  19  7  o 115.9517 44.33380 2.832779       4.442246  2.398658       4.450067  3.147537       72.58695 
1 1 1 -2  19  8  o 133.6782 45.63372 4.923115       4.573736  3.684509       4.508220  10.54950       75.31387 
1 1 1 -2  19  9  o 146.9491 45.67745 7.101638       4.657424  3.959935       4.549807  27.84778       76.32009 
1 1 1 -2  19  10 o 216.2445 40.18158 16.16327       4.979473  6.408168       5.433458  92.99049       75.29330 
1 1 1 -2  19  11 o 133.3010 46.52168 5.976388       4.264009  2.140677       5.388679  23.82742       75.34014 
1 1 1 -2  19  12 f 95.89026 43.81472 -1.428294      5.993359  -0.6103959     5.653370  -0.6708603     72.56026 
1 1 1 -2  19  13 o 88.46347 39.50469 0.9014335      3.909161  -1.910493      5.204151  2.369469       65.20322 
1 1 1 -2  19  14 o 110.7053 44.03670 1.705093       3.989378  5.027550       5.370723  -26.62339      72.14260 
1 1 1 -2  19  15 o 95.94621 41.75653 0.4252832      4.085265  2.821908       5.532129  -19.71211      68.41312 
1 1 1 -2  19  16 o 113.0299 45.57386 2.266917       4.447624  6.563198       5.580948  -24.28730      72.28296 
1 1 1 -2  19  17 o 98.18556 41.33539 2.547567       3.906052  2.426527       4.802222  -2.022812      65.11432 
1 1 1 -2  19  18 o 99.71314 41.60032 3.244112       4.037179  2.638605       4.574820  2.268478       64.69632 
1 1 1 -2  19  19 o 79.29124 36.91302 2.920271       4.288822  -2.428837      4.550651  18.03788       58.45174 
1 1 1 -2  19  20 o 91.36696 40.08070 3.143172       4.236466  3.034183       4.487738  0.4187851      60.46534 
1 1 1 -2  19  21 o 75.02654 35.10172 -2.712085      3.961864  4.647923       4.193012  -26.63058      55.65441 
1 1 1 -2  19  22 o 90.85189 39.73758 4.936832       4.179542  3.361425       4.333554  6.294395       57.90029 
1 1 1 -2  19  23 o 62.98439 30.93535 -2.793514      4.135664  1.101301       4.215722  -8.970497      48.39597 
1 1 1 -2  20  1  o 108.0304 51.83619 -5.937819      7.094943  0.000000       0.000000  ?              ?        
1 1 1 -2  20  2  o 103.6260 46.17601 0.4267735      7.122694  -0.5772538     5.289159  18.32018       77.52358 
1 1 1 -2  20  3  o 140.5982 52.46465 3.894692       6.848050  5.424250       5.614368  -4.347229      85.14317 
1 1 1 -2  20  4  o 200.5613 50.21464 14.41855       6.692608  7.973521       5.855961  50.43875       89.29923 
1 1 1 -2  20  5  o 159.0788 48.30048 6.210609       5.132632  7.176481       5.236976  -8.123154      81.48835 
1 1 1 -2  20  6  o 82.16597 38.00714 1.346062       4.488942  -5.279304      4.648425  28.83311       64.63104 
1 1 1 -2  20  7  o 108.2984 44.27823 1.247705       4.646253  2.512987       4.795599  -9.068977      72.23434 
1 1 1 -2  20  8  o 104.7014 43.31246 2.618610       4.641380  0.6295540      4.530608  13.21409       70.68234 
1 1 1 -2  20  9  o 108.3253 43.77785 0.7236222      4.563377  3.540946       4.537693  -18.01524      70.99902 
1 1 1 -2  20  10 o 116.5598 45.30120 1.810827       4.349576  4.877090       5.143540  -24.48227      73.81593 
1 1 1 -2  20  11 o 82.20776 37.86880 -1.718257      4.203206  -0.5659856     4.784952  -10.64726      63.52132 
1 1 1 -2  20  12 o 86.63737 39.26010 -1.095627      4.260382  0.5189889      4.907477  -12.82074      65.05992 
1 1 1 -2  20  13 o 184.9188 44.26376 11.80074       4.616345  7.143346       5.524846  47.69290       78.36032 
1 1 1 -2  20  14 o 142.6985 47.04329 7.435076       4.252697  4.995262       5.728936  20.61302       75.62585 
1 1 1 -2  20  15 o 114.4367 46.18908 4.015191       4.340390  4.908325       6.314283  -5.143402      72.41891 
1 1 1 -2  20  16 o 126.9376 47.12792 5.384253       4.501648  6.515543       5.544758  -4.081581      73.65689 
1 1 1 -2  20  17 o 79.72718 37.52351 0.9346170      4.453543  -2.203654      5.176354  6.735512       59.96107 
1 1 1 -2  20  18 o 71.29748 34.21870 -1.671284      4.027802  -0.5413886     4.839605  -7.636612      55.39270 
1 1 1 -2  20  19 o 73.18287 34.90816 -2.870583      3.995032  3.999980       4.980283  -24.13858      56.54182 
1 1 1 -2  20  20 o 66.98658 32.63765 -2.692727      4.100430  0.5426897      4.718911  -10.70382      52.24722 
1 1 1 -2  20  21 o 65.09438 31.75591 -2.582654      4.023864  1.274663       4.358292  -10.62846      50.08598 
1 1 1 -2  20  22 o 74.83849 35.20088 3.181116       4.105764  0.5955440      4.279959  7.319336       52.53294 
1 1 1 -2  20  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  21  1  o 150.4218 59.55181 5.347751       10.47819  7.568560       7.017033  -5.208954      93.89442 
1 1 1 -2  21  2  o 248.0908 47.21603 14.16498       7.800758  18.63265       6.405569  -49.64069      92.75797 
1 1 1 -2  21  3  o 130.2238 51.42597 0.5520551      6.879815  6.546701       5.588711  -26.96718      81.48918 
1 1 1 -2  21  4  o 98.21142 44.76910 -4.841101      6.421659  2.480097       5.695155  -23.33913      73.64668 
1 1 1 -2  21  5  o 119.1055 47.30102 0.1782911      5.272382  6.042486       5.163765  -34.95570      75.74461 
1 1 1 -2  21  6  o 101.8632 43.76969 -0.9894697     4.967216  3.331432       4.989495  -23.13344      71.23450 
1 1 1 -2  21  7  o 95.86937 41.83801 2.392686       4.684196  -1.120367      4.702069  18.35730       68.39275 
1 1 1 -2  21  8  o 71.33531 34.54261 -4.026301      4.642582  -4.193014      4.771037  -0.7470551     59.49514 
1 1 1 -2  21  9  o 76.12881 36.12286 -3.758327      4.542296  -1.311220      4.650844  -10.40108      61.23380 
1 1 1 -2  21  10 o 108.0405 44.07832 2.554065       4.565751  2.593340       4.769684  -1.210457      70.62489 
1 1 1 -2  21  11 f 120.7341 46.59595 6.605435       4.682392  1.043210       5.253164  32.50345       73.20998 
1 1 1 -2  21  12 o 72.59881 34.91423 -3.007113      4.305959  -2.546876      4.992464  -7.161194      58.81748 
1 1 1 -2  21  13 o 187.7077 45.31647 11.13113       4.725179  11.33832       5.900998  13.04039       81.89256 
1 1 1 -2  21  14 o 79.00140 37.16681 0.1822103      4.239315  -2.556378      5.282029  3.070679       60.29563 
1 1 1 -2  21  15 o 74.48268 35.61393 0.2527081      4.096122  -5.154728      5.500173  7.463081       58.10123 
1 1 1 -2  21  16 o 82.96571 38.57887 1.395246       4.396543  -0.8692505     5.338291  3.930786       60.76184 
1 1 1 -2  21  17 o 84.87142 39.34395 4.262579       4.497118  -3.018174      5.527254  20.21177       60.74860 
1 1 1 -2  21  18 o 88.12209 39.41274 3.086282       4.020071  2.253939       4.962680  2.570808       59.44122 
1 1 1 -2  21  19 o 87.34812 39.25055 2.135692       4.001871  4.498941       5.056859  -7.964462      58.93927 
1 1 1 -2  21  20 o 72.04350 34.58054 0.1328669      4.142965  1.560724       4.899837  -4.962791      52.83150 
1 1 1 -2  21  21 o 61.51621 30.53514 -2.768116      4.104031  -0.1948496     4.933969  -7.365559      48.09819 
1 1 1 -2  21  22 o 66.63979 32.56012 0.6575573      4.088444  0.8594407      4.914101  -1.383659      48.83887 
1 1 1 -2  22  1  o 105.1425 51.69709 -0.4820863     12.72416  -11.54562      10.98721  22.10281       84.99612 
1 1 1 -2  22  2  o 116.0042 55.69439 1.015727       12.79880  -3.171415      10.71767  12.23280       88.37910 
1 1 1 -2  22  3  f 142.5310 59.72238 11.45725       10.79268  4.898609       7.720793  21.51558       93.00883 
1 1 1 -2  22  4  o 118.3862 52.72804 -2.685703      8.460299  7.023355       7.307393  -28.21766      82.40884 
1 1 1 -2  22  5  o 121.1667 51.29773 7.779482       6.854134  0.3881675      6.482510  32.34956       80.84121 
1 1 1 -2  22  6  o 116.1175 49.92293 6.471408       6.323206  -0.4041736     6.656383  27.46651       78.42990 
1 1 1 -2  22  7  o 102.6130 44.44784 4.212826       5.333634  -0.2655122     5.103980  22.23679       71.09962 
1 1 1 -2  22  8  o 130.0326 49.69496 3.271980       4.644448  11.20777       7.502945  -40.04202      81.88408 
1 1 1 -2  22  9  o 78.15363 36.88186 1.419531       4.570461  -4.838185      4.773625  21.49228       61.22560 
1 1 1 -2  22  10 o 110.2047 44.87692 2.578746       4.657526  4.638234       5.009705  -11.88110      70.51796 
1 1 1 -2  22  11 o 87.58806 41.06002 0.6760339      4.489604  -4.531251      8.533675  -4.092491      66.72441 
1 1 1 -2  22  12 o 115.2158 45.49585 5.420345       4.594921  3.142308       5.037681  12.63081       70.65768 
1 1 1 -2  22  13 o 75.57056 35.91016 0.3638605      4.412076  -3.381499      4.755867  10.39585       58.62649 
1 1 1 -2  22  14 o 86.95805 39.62020 1.726537       4.495466  0.4028312      4.963664  3.350281       62.16310 
1 1 1 -2  22  15 o 86.33720 39.15045 2.046511       4.264263  0.9802026      4.861464  2.433922       60.72786 
1 1 1 -2  22  16 o 81.44459 38.21281 0.3655533E-02  4.474251  2.463597       5.433661  -9.555779      59.39662 
1 1 1 -2  22  17 o 68.93542 33.81876 -3.989360      4.173806  4.061229       6.399529  -23.14594      55.74453 
1 1 1 -2  22  18 o 86.60027 39.87566 3.517747       4.412212  2.380491       5.731914  3.274628       59.01280 
1 1 1 -2  22  19 o 75.48325 35.62564 1.635632       3.916691  1.917008       4.993554  -1.699638      53.48182 
1 1 1 -2  22  20 o 64.74986 31.77076 -0.9677815     3.957102  0.5196646      4.944220  -5.304024      49.01912 
1 1 1 -2  22  21 o 68.14272 33.28085 3.254501       4.258695  -1.597874      5.118987  8.533203       49.39671 
1 1 1 -2  23  1  o 96.18706 44.96608 0.9239641      8.251582  -0.8347285     5.736533  14.67117       73.03321 
1 1 1 -2  23  2  o 85.09212 41.28332 -1.652780      8.060461  -4.810185      5.997998  17.74900       69.10107 
1 1 1 -2  23  3  o 106.4846 48.25547 3.129236       8.010695  0.9577600      6.115217  12.37292       76.59772 
1 1 1 -2  23  4  o 124.7248 57.43034 15.22630       10.82786  -4.131961      9.766734  44.99301       89.43786 
1 1 1 -2  23  5  o 114.5948 53.41895 1.388145       9.389742  3.047967       9.198658  -3.440346      82.47048 
1 1 1 -2  23  6  o 97.26611 47.15057 -0.8301767     9.167494  -4.280884      8.525648  8.700218       75.53193 
1 1 1 -2  23  7  o 84.51768 40.03677 0.2671552      5.863036  -2.990487      5.369917  12.98851       65.59835 
1 1 1 -2  23  8  o 111.3864 49.27138 7.143710       7.302211  0.6191525      6.246830  24.35132       77.03082 
1 1 1 -2  23  9  o 88.12113 42.31354 -3.908078      6.449477  0.8445914      7.011760  -13.92013      68.35335 
1 1 1 -2  23  10 o 97.32803 44.81258 -2.168669      6.167646  5.253870       6.321908  -23.63991      70.50877 
1 1 1 -2  23  11 o 148.0433 55.90208 7.401120       6.536856  14.14583       7.616993  -22.83583      83.88898 
1 1 1 -2  23  12 o 98.88834 45.39457 2.090884       5.962090  3.730076       6.800945  -5.612602      69.14305 
1 1 1 -2  23  13 o 80.08583 37.73395 -1.935686      4.773419  2.338327       4.934548  -14.05956      59.75631 
1 1 1 -2  23  14 f 83.30254 38.92573 -2.355423      4.472498  7.009451       5.720147  -31.60302      62.37920 
1 1 1 -2  23  15 o 85.29858 39.15622 4.540160       4.549973  -0.3341701     4.904763  15.56261       59.35771 
1 1 1 -2  23  16 o 84.23463 39.00878 0.7844183      4.540324  4.835464       5.185742  -12.26880      58.74536 
1 1 1 -2  23  17 o 71.06930 34.59195 1.500505       4.764493  -2.284955      5.010600  7.802979       53.53587 
1 1 1 -2  23  18 o 63.38729 31.54947 -0.3384257     4.593088  -3.617493      5.262682  3.724945       49.06518 
1 1 1 -2  23  19 o 75.82462 36.48126 3.960021       4.629956  0.7844433      5.602071  6.434395       53.10085 
1 1 1 -2  23  20 o 57.14093 28.79404 -2.234779      4.037866  -3.696828      5.921420  -2.803310      44.97268 
1 1 1 -2  24  1  o 141.3616 55.48197 7.499844       8.406726  9.427461       6.261769  -13.56907      82.89313 
1 1 1 -2  24  2  o 123.5512 52.20385 5.152409       8.061107  6.839227       6.094893  -7.447365      78.30199 
1 1 1 -2  24  3  o 88.28825 42.45575 -5.946294      7.925467  1.360889       6.069824  -9.405396      67.43885 
1 1 1 -2  24  4  o 117.7025 50.91349 9.674866       7.326294  1.914738       6.411933  26.73706       77.75811 
1 1 1 -2  24  5  o 83.78310 39.96569 -4.027202      6.120752  1.163879       5.486271  -11.36282      64.13665 
1 1 1 -2  24  6  o 80.17976 38.33141 0.8948833      5.427659  -3.647565      5.327864  13.62130       62.16396 
1 1 1 -2  24  7  o 86.16661 40.34114 0.6013731      5.250154  -0.3859010     5.551097  1.913719       63.85880 
1 1 1 -2  24  8  o 109.1971 46.93927 1.416248       5.432352  8.133782       6.081788  -26.39896      71.96046 
1 1 1 -2  24  9  o 92.69043 45.47573 1.429935       9.364275  -2.156921      8.576600  6.446518       69.77013 
1 1 1 -2  24  10 o 101.4138 47.25213 2.890132       7.096965  4.826917       7.428987  -4.557175      70.37130 
1 1 1 -2  24  11 o 102.7629 47.52983 7.104060       7.176370  2.591416       7.102136  10.48991       69.88474 
1 1 1 -2  24  12 o 78.62570 39.02442 -2.350168      6.985219  -1.978128      7.619823  -1.885460      60.55060 
1 1 1 -2  24  13 o 62.29611 31.13792 -2.776293      4.676412  -6.469718      5.371957  3.302299       50.83551 
1 1 1 -2  24  14 o 66.40331 33.15317 -0.7184582     4.734923  -9.972177      7.154267  5.217049       52.79462 
1 1 1 -2  24  15 o 75.10680 37.18019 -1.451463      6.059140  0.3737655      6.924691  -4.114304      56.73750 
1 1 1 -2  24  16 o 71.46819 35.69370 -3.449323      6.248560  2.494113       6.775599  -8.301453      54.13017 
1 1 1 -2  24  17 o 64.09705 32.41872 -1.698951      6.235245  -4.641297      6.387013  2.886879       49.83613 
1 1 1 -2  24  18 o 73.32239 36.66123 2.140971       7.137187  2.760977       6.758710  -0.6586838     52.84555 
1 1 1 -2  24  19 o 60.53412 30.70056 -4.949937      6.776887  -0.8298422     5.311499  -1.829872      46.56684 
1 1 1 -2  25  1  o 116.3317 51.40479 9.767079       8.723051  4.449705       6.387857  11.69978       76.40021 
1 1 1 -2  25  2  o 81.83622 40.22028 -2.910903      8.272988  -2.759924      6.307476  5.854683       64.18161 
1 1 1 -2  25  3  o 81.19057 39.98020 -10.92377      8.408512  0.8898528      6.287055  -12.50318      63.94074 
1 1 1 -2  25  4  o 109.2105 49.03411 5.147645       7.555514  4.394320       6.406232  2.036469       73.30511 
1 1 1 -2  25  5  o 77.32170 37.83924 -3.088436      6.136363  -2.279120      6.012798  -1.209229      60.78182 
1 1 1 -2  25  6  o 83.36020 39.45754 1.033320       5.320106  -0.7179627     5.523876  4.269066       61.82214 
1 1 1 -2  25  7  o 87.50630 41.00633 1.402866       5.607002  1.176099       5.584035  0.6877670      63.13745 
1 1 1 -2  25  8  o 91.52879 42.32510 0.9708716      5.679280  3.838304       5.634534  -8.247734      64.20958 
1 1 1 -2  25  9  o 101.8104 44.66672 7.281444       5.566649  2.088854       5.269527  18.01273       66.64832 
1 1 1 -2  25  10 o 81.64502 38.81835 -2.561920      5.330751  4.315337       5.389998  -18.12486      60.24268 
1 1 1 -2  25  11 o 62.80085 31.31038 -9.173396      4.690767  1.973075       5.152485  -24.91625      53.06324 
1 1 1 -2  25  12 o 77.83866 37.31601 2.937376       4.670213  -2.962206      5.886269  11.21983       57.15976 
1 1 1 -2  25  13 o 71.30316 34.71131 -0.9588950     4.454762  0.6487490      5.576005  -6.198448      53.90437 
1 1 1 -2  25  14 o 77.39138 37.91317 2.175343       5.128510  1.230689       8.184744  0.1117401      55.86411 
1 1 1 -2  25  15 o 67.87642 34.33868 -4.384592      7.052378  -0.2774464     7.161118  -4.096184      52.03862 
1 1 1 -2  25  16 o 66.03063 33.98401 -7.206506      7.175872  0.000000       0.000000  ?              ?        
1 1 1 -2  25  17 o 67.14162 34.12519 4.823985       7.254993  -6.216900      7.961334  7.954048       50.26127 
1 1 1 -2  26  1  o 99.37313 50.73513 1.355193       12.95063  0.000000       0.000000  ?              ?        
1 1 1 -2  26  2  o 80.56159 39.87648 -5.833622      8.489648  -0.4576292     6.661002  -3.484833      62.32152 
1 1 1 -2  26  3  f 110.0111 49.98170 1.962874       8.645761  9.269702       6.619310  -18.79498      72.08865 
1 1 1 -2  26  4  o 92.11987 44.01921 0.3464501      7.587594  3.732960       6.651820  -5.879700      66.00153 
1 1 1 -2  26  5  o 84.13680 40.51748 -2.208647      6.425874  3.291849       6.104703  -11.06538      62.12258 
1 1 1 -2  26  6  o 84.14044 40.32177 4.227699       6.102335  -1.668273      5.957001  13.28767       61.59055 
1 1 1 -2  26  7  o 76.85555 37.36891 -4.964108      5.600447  4.509068       5.716427  -20.57822      58.71672 
1 1 1 -2  26  8  f 83.08008 39.65750 5.955195       5.712070  -2.448141      5.706357  19.37341       60.34766 
1 1 1 -2  26  9  o 67.98736 33.87593 -3.841435      5.525631  -1.796899      5.905652  -4.473236      53.50669 
1 1 1 -2  26  10 o 61.59300 31.06280 -8.255303      5.491309  -1.937132      5.617519  -9.433777      50.35516 
1 1 1 -2  26  11 o 81.01038 38.73174 0.4440390      5.352520  4.694232       5.643919  -9.272636      57.40992 
1 1 1 -2  26  12 o 67.28925 33.53737 -2.631092      5.339242  -0.6620700     5.924183  -4.286697      51.88430 
1 1 1 -2  26  13 o 68.05374 33.56176 -3.760422      4.750242  4.241634       5.494738  -15.84518      52.09684 
1 1 1 -2  26  14 o 68.36476 34.06333 0.1960941E-02  4.720602  0.2279681      8.102359  -3.249481      51.12958 
1 1 1 -2  26  15 o 51.29882 26.18205 -9.519436      4.472114  -2.341982      5.325285  -11.22876      43.09483 
1 1 1 -2  27  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -2  27  6  o 90.80042 44.52494 -0.7663075     13.46309  6.130815       6.755799  -7.243866      63.72804 
1 1 1 -2  27  7  f 74.83113 36.82739 -2.267395      5.907742  1.921759       6.124624  -7.483116      56.26838 
1 1 1 -2  27  8  o 70.50989 34.99676 -1.061372      5.622029  -1.623998      6.124367  -0.1522827     53.84851 
1 1 1 -2  27  9  o 72.69444 36.39274 -2.120698      5.766108  2.328451       9.335271  -8.086807      55.36289 
1 1 1 -2  27  10 o 74.80862 36.65547 0.6513444      5.632277  2.101460       5.883988  -2.622559      54.41917 
1 1 1 -2  27  11 o 86.29128 40.69295 4.680355       5.486296  5.632090       5.862138  -1.320610      57.37326 
1 1 1 -2  27  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -25 1  o 101.4690 47.82241 2.036544       6.879922  0.4108849      9.236889  -0.8238678     73.85661 
1 1 1 -1  -25 2  o 104.9453 50.59628 1.356254       6.948906  0.000000       0.000000  ?              ?        
1 1 1 -1  -24 1  o 81.60699 40.21070 -1.950304      6.564624  -11.12938      8.182652  9.165527       66.50901 
1 1 1 -1  -24 2  o 112.4953 52.07693 0.6118598      7.799284  7.050369       9.706489  -17.31276      80.37157 
1 1 1 -1  -24 3  o 96.52171 46.99293 -9.704003      8.290492  7.875898       10.00485  -36.83324      77.35368 
1 1 1 -1  -24 4  o 113.9853 53.36108 -0.5766351     9.089798  7.662203       9.823217  -18.10844      81.60959 
1 1 1 -1  -23 1  o 116.2053 53.16077 4.999422       8.085011  -0.5294982     9.216600  12.27670       82.44605 
1 1 1 -1  -23 2  o 104.2772 49.55720 -0.8971052     8.126570  -0.4809643     9.458158  -4.982925      78.70992 
1 1 1 -1  -23 3  o 98.60087 47.63300 -3.436187      8.712804  -2.238069      8.924294  -3.184326      76.62431 
1 1 1 -1  -23 4  o 92.26269 45.25444 -1.127959      8.712111  -8.603504      8.974266  12.19279       73.54472 
1 1 1 -1  -23 5  o 123.9706 56.21386 0.7797775      9.095634  9.262090       9.617773  -21.81528      85.88873 
1 1 1 -1  -23 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -22 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -22 2  o 115.1162 53.15128 -8.400310      9.012131  9.573794       8.736641  -48.70973      85.60631 
1 1 1 -1  -22 3  o 80.36190 40.17719 -4.402198      8.595415  -16.03197      8.081028  22.12128       69.65488 
1 1 1 -1  -22 4  o 118.3582 53.91884 -4.889636      8.698087  9.743091       8.748202  -41.78254      85.41653 
1 1 1 -1  -22 5  o 105.0355 49.75913 -3.817343      8.396811  2.099235       8.933739  -15.88044      79.90155 
1 1 1 -1  -22 6  o 113.3966 52.98267 -4.952482      8.929263  8.404891       9.557677  -33.39479      84.11418 
1 1 1 -1  -22 7  o 148.3615 67.24632 0.000000       0.000000  11.15545       9.445262  ?              ?        
1 1 1 -1  -21 1  o 126.2137 55.54251 10.95985       8.596638  -5.141760      8.266934  58.98559       89.48588 
1 1 1 -1  -21 2  o 122.9593 54.79442 -3.378575      8.366795  7.176529       8.551392  -36.65102      88.19393 
1 1 1 -1  -21 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -21 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -21 5  o 147.2032 66.83495 0.000000       0.000000  7.650925       9.378547  ?              ?        
1 1 1 -1  -21 6  o 89.05608 43.31422 -11.25300      6.916454  4.108658       8.584045  -46.52043      76.16048 
1 1 1 -1  -21 7  f 109.6441 51.46635 -6.952821      8.200529  9.709190       9.755387  -46.74532      84.63531 
1 1 1 -1  -21 8  o 98.22633 46.73222 -0.8470570     7.727230  -3.205290      7.862001  5.310158       75.73566 
1 1 1 -1  -21 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -20 1  o 117.8812 52.85026 -1.130781      8.043495  1.196076       7.948594  -7.890610      86.52859 
1 1 1 -1  -20 2  o 106.5788 49.85340 -3.193501      8.391084  -2.016337      8.035968  -1.313461      82.66642 
1 1 1 -1  -20 3  o 150.8665 60.06938 8.496540       8.538038  4.427320       8.335735  18.33485       94.94790 
1 1 1 -1  -20 4  o 145.7255 59.64592 7.029731       8.723978  4.118350       8.433542  12.79073       94.38751 
1 1 1 -1  -20 5  o 128.3896 57.00428 1.409353       9.123191  3.585932       9.014306  -6.647507      90.52658 
1 1 1 -1  -20 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -20 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -20 8  o 125.6510 59.76766 0.000000       0.000000  0.1782596      9.005054  ?              ?        
1 1 1 -1  -20 9  o 125.6250 53.39281 4.314874       7.379572  3.967029       7.152637  1.873062       83.60534 
1 1 1 -1  -20 10 o 127.2783 54.20029 2.487997       7.554191  6.594374       7.466511  -15.55122      84.37268 
1 1 1 -1  -19 1  f 146.3180 58.37417 5.084917       7.952743  3.464479       8.010223  7.750336       94.57051 
1 1 1 -1  -19 2  o 96.88592 46.27747 -1.625559      7.978612  -8.941469      7.634568  24.08596       79.80128 
1 1 1 -1  -19 3  o 150.9057 57.66590 4.125207       7.799177  6.799387       7.268012  -12.42149      92.86275 
1 1 1 -1  -19 4  o 113.1136 52.66332 -5.842428      9.198696  0.9531199      8.790111  -17.28116      87.04096 
1 1 1 -1  -19 5  f 144.5213 60.94640 6.700645       11.14065  3.733894       8.203151  18.24426       97.88268 
1 1 1 -1  -19 6  o 116.4198 53.67473 -7.014427      8.413910  7.199286       9.727096  -49.51684      89.80463 
1 1 1 -1  -19 7  o 122.1273 54.69718 -0.1277238     8.874752  2.860921       8.240703  -7.250046      87.56902 
1 1 1 -1  -19 8  o 117.9160 53.52276 5.975743       8.767742  -3.221629      8.252931  30.56828       86.26588 
1 1 1 -1  -19 9  o 130.6873 61.26958 -5.273095      12.60054  7.475312       12.43358  -25.09943      96.49815 
1 1 1 -1  -19 10 o 134.6795 63.47474 2.025878       14.20119  4.454291       13.33392  -3.077881      97.15390 
1 1 1 -1  -19 11 o 110.1275 50.46534 -5.525194      8.219254  5.880206       7.420755  -31.48498      80.64214 
1 1 1 -1  -18 1  o 199.5371 58.59262 6.252614       7.126795  15.81371       8.511018  -68.58820      99.24986 
1 1 1 -1  -18 2  o 344.3777 69.09753 0.000000       0.000000  31.96606       10.07425  ?              ?        
1 1 1 -1  -18 3  o 142.3400 59.34242 5.891512       9.920054  1.129174       7.844816  31.61208       98.00927 
1 1 1 -1  -18 4  o 123.0251 54.58282 0.3573847      8.823672  -0.1486157     7.858290  8.060928       90.08486 
1 1 1 -1  -18 5  o 165.5798 60.21547 13.98408       7.727017  -0.5172738     8.307379  77.53796       94.32574 
1 1 1 -1  -18 6  f 206.4409 61.66063 12.85148       7.440165  12.60743       10.19386  8.234283       104.1712 
1 1 1 -1  -18 7  o 175.5214 57.94373 9.951975       7.418251  7.986659       7.236073  12.28735       95.01090 
1 1 1 -1  -18 8  o 112.7735 53.58475 0.000000       0.000000  -3.667117      7.199563  ?              ?        
1 1 1 -1  -18 9  o 151.2520 67.11758 6.150618       8.876904  0.000000       0.000000  ?              ?        
1 1 1 -1  -18 10 o 97.17692 46.84918 -8.177387      8.444126  -1.456605      8.403254  -15.58273      78.23100 
1 1 1 -1  -18 11 o 115.0889 52.86547 3.698371       8.758581  -2.101636      8.483836  17.59499       84.57337 
1 1 1 -1  -18 12 o 134.4396 65.55470 0.000000       0.000000  0.9412535E-01  12.55691  ?              ?        
1 1 1 -1  -17 1  o 199.8287 58.74488 9.549659       7.501059  10.14594       8.056455  -5.537460      100.3330 
1 1 1 -1  -17 2  o 86.87654 42.86945 -14.06415      8.623697  -9.956825      8.070278  -4.220695      76.86097 
1 1 1 -1  -17 3  o 399.7106 38.21182 37.50163       9.490670  36.80393       9.233379  2.784851       80.34434 
1 1 1 -1  -17 4  o 205.0123 62.85026 10.49082       9.135733  11.43340       8.409066  -5.160034      105.8395 
1 1 1 -1  -17 5  o 96.16499 45.86110 -4.626110      7.347437  -6.732070      7.876873  1.719551       79.03781 
1 1 1 -1  -17 6  o 188.0384 61.61446 12.65251       7.452623  4.764176       9.489428  42.81750       99.85019 
1 1 1 -1  -17 7  o 259.4717 47.70930 18.98213       7.393365  15.77902       7.399029  26.16075       94.99010 
1 1 1 -1  -17 8  o 122.0223 53.44572 -4.026309      8.410794  5.196202       7.175216  -28.88612      86.28657 
1 1 1 -1  -17 9  o 166.2567 61.94801 6.695919       7.340644  11.04418       10.67628  -23.22136      101.0123 
1 1 1 -1  -17 10 o 184.6481 59.15728 12.96534       7.688394  8.174608       7.644399  29.17758       96.78756 
1 1 1 -1  -17 11 o 109.0030 49.78814 1.012490       7.623226  -1.223814      7.384348  8.677475       80.87462 
1 1 1 -1  -17 12 o 140.1961 61.39603 4.860493       10.32324  5.548194       10.04973  -1.617706      95.22625 
1 1 1 -1  -17 13 o 136.7112 60.98217 -7.094647      10.09863  18.49323       10.95836  -74.86710      97.45069 
1 1 1 -1  -16 1  o 195.6753 58.17941 14.97107       7.814909  4.420335       7.364867  76.05911       96.40666 
1 1 1 -1  -16 2  o 160.3992 61.09377 -1.981291      8.557612  11.29928       8.293520  -70.40854      98.04090 
1 1 1 -1  -16 3  o 96.05302 46.23905 -5.357974      8.491869  -10.02726      7.818186  19.95452       81.85742 
1 1 1 -1  -16 4  o 142.0543 58.69478 9.699316       8.653628  -4.258402      8.179226  70.78116       96.13832 
1 1 1 -1  -16 5  o 451.6648 31.66786 47.82355       8.318124  44.85304       9.416448  20.27048       66.24799 
1 1 1 -1  -16 6  o 176.6698 59.68454 5.113873       7.154196  11.62595       8.565264  -45.19884      99.07217 
1 1 1 -1  -16 7  o 157.7640 56.74687 2.585824       7.149530  9.298827       7.015395  -40.72739      91.86559 
1 1 1 -1  -16 8  o 157.5256 64.88018 0.000000       0.000000  5.145939       7.232205  ?              ?        
1 1 1 -1  -16 9  o 166.3770 68.94699 9.030516       13.06023  6.125098       10.61056  14.12695       109.3105 
1 1 1 -1  -16 10 o 168.5064 64.91198 -4.947749      13.60447  12.43676       7.811732  -49.66965      100.0759 
1 1 1 -1  -16 11 o 135.1727 58.72224 7.935520       14.44047  2.067473       7.243901  36.01532       99.12578 
1 1 1 -1  -16 12 o 131.6113 59.41264 0.000000       0.000000  2.375199       7.284681  ?              ?        
1 1 1 -1  -16 13 o 237.6426 70.17090 0.000000       0.000000  20.48797       7.818726  ?              ?        
1 1 1 -1  -16 14 o 108.9968 51.05703 -0.6863599     11.60561  -1.337836      7.208956  18.67399       84.43145 
1 1 1 -1  -15 1  o 328.4656 38.04606 23.54224       7.818768  25.87666       7.414975  -18.61343      79.83718 
1 1 1 -1  -15 2  o 101.3097 47.01347 -2.221863      7.393026  -5.003759      6.789630  16.54798       81.10896 
1 1 1 -1  -15 3  o 103.3957 47.87624 0.2357411      7.678555  -6.866246      6.926633  34.51289       83.10413 
1 1 1 -1  -15 4  o 191.9496 57.55291 12.36788       6.859462  4.007706       8.075650  53.98766       95.27991 
1 1 1 -1  -15 5  o 631.1371 39.68985 0.000000       0.000000  91.13512       10.93201  ?              ?        
1 1 1 -1  -15 6  o 188.0438 60.66029 13.47348       8.071809  3.883549       8.030792  62.34081       99.30295 
1 1 1 -1  -15 7  o 196.6229 63.44133 13.51785       12.64731  8.691622       7.153993  37.76073       111.3407 
1 1 1 -1  -15 8  o 120.8293 54.33017 2.110266       11.91958  -2.258298      6.979999  47.23721       95.83514 
1 1 1 -1  -15 9  o 220.6468 58.40549 24.78659       8.877801  4.781806       7.524923  136.0210       95.93154 
1 1 1 -1  -15 10 o 138.5143 57.85709 1.459792       9.140837  4.969346       7.647561  -8.256409      93.01735 
1 1 1 -1  -15 11 o 148.2306 61.07206 -10.06879      12.29127  10.43839       7.513998  -52.34126      94.61598 
1 1 1 -1  -15 12 o 182.8517 65.13466 6.531410       13.02383  12.04743       7.625022  -23.35027      103.6020 
1 1 1 -1  -15 13 o 132.0105 56.25698 13.46001       9.093986  -2.724531      7.375667  71.14863       92.03708 
1 1 1 -1  -15 14 o 110.7240 50.52691 -5.157488      8.429062  3.862304       7.135252  -22.50174      81.49183 
1 1 1 -1  -15 15 o 109.5417 50.43602 -3.692441      8.175552  2.958549       7.666114  -17.93581      81.43127 
1 1 1 -1  -14 1  o 280.9238 41.11519 20.58412       7.365771  16.27925       6.602227  32.93134       84.02126 
1 1 1 -1  -14 2  o 447.4489 28.50375 43.17679       8.049301  46.29768       7.702958  -17.06421      58.18178 
1 1 1 -1  -14 3  f 843.2325 32.12619 159.8088       11.86077  0.000000       0.000000  ?              ?        
1 1 1 -1  -14 4  o 177.5073 58.05062 4.942870       7.169760  10.08551       7.564862  -36.89374      96.42178 
1 1 1 -1  -14 5  o 488.0034 35.28035 42.92141       12.68828  59.87528       9.300049  -96.51389      83.65282 
1 1 1 -1  -14 6  o 146.2684 57.37204 5.434158       7.989443  1.757220       7.244996  25.77341       94.66167 
1 1 1 -1  -14 7  o 138.4572 56.53029 5.174206       8.144547  0.1469672      7.285130  32.15123       93.52865 
1 1 1 -1  -14 8  o 238.3494 53.90377 21.67746       8.491442  8.680973       7.225781  97.44000       96.54312 
1 1 1 -1  -14 9  o 411.4630 33.74953 43.12248       9.362230  36.35524       7.899928  30.76401       70.68005 
1 1 1 -1  -14 10 o 137.9180 57.05560 6.397463       8.764201  0.5015109      7.337842  35.49402       93.90244 
1 1 1 -1  -14 11 o 207.6563 63.58838 16.67805       12.56213  11.24247       7.336988  21.03015       110.5456 
1 1 1 -1  -14 12 o 166.9344 63.38456 -3.108995      12.49160  11.48119       7.449575  -44.99225      98.78642 
1 1 1 -1  -14 13 o 105.0982 48.85074 0.7238634      8.353592  -4.066977      7.152386  22.84118       81.79227 
1 1 1 -1  -14 14 o 113.3370 51.45444 1.991260       8.426612  -1.265731      7.392943  15.98168       83.89822 
1 1 1 -1  -14 15 f 121.7982 53.21532 -1.848699      7.634133  6.701962       7.589546  -32.40423      85.03378 
1 1 1 -1  -14 16 o 117.2681 53.65436 -3.238298      13.03458  2.040495       7.039731  7.178337       87.03322 
1 1 1 -1  -13 1  o 346.9510 32.04506 26.17569       7.226615  27.89002       6.473176  -13.94781      66.85452 
1 1 1 -1  -13 2  o 1016.165 31.09285 230.4958       13.84250  0.000000       0.000000  ?              ?        
1 1 1 -1  -13 3  o 241.6922 52.74754 17.14204       10.47330  12.72907       6.357422  32.96753       102.7075 
1 1 1 -1  -13 4  o 1010.931 22.23814 233.3914       14.21790  219.8177       13.68830  29.99500       44.77655 
1 1 1 -1  -13 5  o 329.0451 36.13311 30.16760       7.413364  19.71283       7.104598  74.36060       76.19637 
1 1 1 -1  -13 6  o 80.91514 39.62723 -15.75415      7.051131  -3.046221      6.394117  -28.51360      71.55332 
1 1 1 -1  -13 7  o 331.0597 38.97644 26.93162       8.074239  23.47945       7.645532  23.17703       81.22370 
1 1 1 -1  -13 8  o 154.6810 58.04190 2.668401       7.798162  6.411155       7.299466  -18.79446      95.04459 
1 1 1 -1  -13 9  o 389.8136 36.03595 34.39896       8.910041  35.47964       8.347868  -9.321350      75.53720 
1 1 1 -1  -13 10 o 142.5179 58.63031 2.535078       9.029192  3.213262       7.786992  4.329239       96.07323 
1 1 1 -1  -13 11 o 144.4734 60.30190 3.209162       11.78338  3.117137       7.562891  21.03024       100.4748 
1 1 1 -1  -13 12 f 235.3742 57.54280 8.738127       8.874937  20.51443       7.874655  -84.37927      99.28463 
1 1 1 -1  -13 13 f 190.4902 58.93954 8.252051       8.066131  12.05507       7.332921  -25.08676      97.87177 
1 1 1 -1  -13 14 o 211.0313 58.16753 11.75670       8.052382  14.37831       7.678551  -19.30994      100.1671 
1 1 1 -1  -13 15 o 158.0816 62.58648 -0.2866582     12.07914  10.77675       7.612051  -33.81581      96.69836 
1 1 1 -1  -13 16 o 164.1231 56.75854 5.509803       6.778045  11.97011       7.314796  -37.48376      91.22884 
1 1 1 -1  -13 17 o 164.7767 55.47146 7.252475       6.723140  10.01582       6.692251  -17.07622      89.53385 
1 1 1 -1  -12 1  o 417.1924 27.13330 37.58482       7.289294  40.32834       6.713783  -17.03244      55.74992 
1 1 1 -1  -12 2  o 835.3604 32.00726 156.5354       11.70629  0.000000       0.000000  ?              ?        
1 1 1 -1  -12 3  o 494.1960 24.39262 62.67279       7.955307  47.65739       7.038070  68.07294       49.28056 
1 1 1 -1  -12 4  o 474.2323 24.85787 55.01684       7.410179  45.24020       7.169879  47.15784       50.36886 
1 1 1 -1  -12 5  o 564.6884 22.69472 86.46763       8.395344  57.97402       7.540336  114.0617       45.96595 
1 1 1 -1  -12 6  o 140.3710 53.21817 0.3403500      6.641973  6.223082       6.133903  -33.34535      86.78973 
1 1 1 -1  -12 7  o 240.1685 49.87291 13.12269       7.318020  14.40794       7.062531  -10.87700      94.17437 
1 1 1 -1  -12 8  o 163.3022 58.19634 7.482868       7.643676  3.950132       7.232636  24.86983       96.00925 
1 1 1 -1  -12 9  x ?        ?        -25.14435      8.532123  -22.28823      8.271098  -1.606522      65.72684 
1 1 1 -1  -12 10 o 356.9087 54.97163 39.04172       11.78663  23.09157       11.77435  101.2897       112.4300 
1 1 1 -1  -12 11 o 439.1996 30.85943 44.66499       9.094234  43.71584       7.769305  -1.203369      64.52882 
1 1 1 -1  -12 12 o 138.0521 54.99519 -2.045234      7.390440  8.213654       6.794534  -51.05333      88.17938 
1 1 1 -1  -12 13 o 195.8867 58.30906 10.52763       7.831987  10.96189       7.406369  -3.400986      98.59770 
1 1 1 -1  -12 14 o 180.8066 57.42247 5.840430       7.043303  12.93597       7.444968  -47.00833      94.63757 
1 1 1 -1  -12 15 o 157.6590 55.28403 9.421389       6.466319  4.308025       6.922558  30.93405       88.90060 
1 1 1 -1  -12 16 o 103.1475 46.48621 -1.448532      6.220596  1.218289       6.334526  -11.46263      76.22868 
1 1 1 -1  -12 17 o 258.8117 44.47493 19.71602       6.967151  16.74434       6.801878  22.93677       91.89434 
1 1 1 -1  -12 18 f 140.7803 52.03084 11.10776       6.321244  1.553286       5.744173  58.35242       82.79771 
1 1 1 -1  -11 1  o 245.7005 62.93361 18.52076       9.872421  13.14084       9.410902  35.31018       111.3711 
1 1 1 -1  -11 2  o 546.7252 33.46101 77.46100       11.67185  59.90999       10.95022  72.34174       68.92124 
1 1 1 -1  -11 3  o 513.3796 32.03970 54.56589       10.07514  64.44784       10.23167  -44.47168      65.61147 
1 1 1 -1  -11 4  o 164.2480 52.75222 2.274370       5.952537  10.39138       6.244669  -63.82544      86.39648 
1 1 1 -1  -11 5  o 779.3640 20.04753 137.6854       9.636526  130.5676       9.732277  21.03925       40.30136 
1 1 1 -1  -11 6  o 388.2749 28.00266 33.18070       6.688493  34.16224       6.710105  -5.839050      57.00765 
1 1 1 -1  -11 7  o 141.6492 53.39617 -2.857032      6.377729  10.17334       6.410935  -84.13226      84.65724 
1 1 1 -1  -11 8  o 130.4637 52.83458 8.912266       6.933064  -3.775753      6.387640  78.18620       86.19246 
1 1 1 -1  -11 9  f 238.4871 58.17160 4.303576       10.48707  18.50063       7.370335  -87.38692      99.79546 
1 1 1 -1  -11 10 o 108.3140 52.85840 -13.57956      8.211304  0.000000       0.000000  ?              ?        
1 1 1 -1  -11 11 o 288.2753 42.88832 25.69324       7.525224  13.79266       7.350235  93.16364       87.36971 
1 1 1 -1  -11 12 o 313.3639 39.33193 19.17460       7.506807  27.10483       7.448713  -60.86707      83.54506 
1 1 1 -1  -11 13 o 108.1925 48.71222 -0.3162852     6.641475  -2.107158      7.130819  3.275406       81.37814 
1 1 1 -1  -11 14 o 152.1934 56.69876 8.989284       7.337474  2.966669       7.004984  35.56688       91.52962 
1 1 1 -1  -11 15 o 105.1008 46.74753 -3.027692      5.689413  3.933960       6.681638  -38.73279      78.45274 
1 1 1 -1  -11 16 o 210.1122 49.63152 16.63892       6.363754  7.741474       6.366421  72.12306       87.73361 
1 1 1 -1  -11 17 o 117.6495 49.05879 2.400802       5.957578  2.693735       5.940742  -1.404938      78.98177 
1 1 1 -1  -11 18 o 192.0927 46.66494 15.17687       5.684223  6.166784       5.341386  75.37799       81.42388 
1 1 1 -1  -10 1  o 173.5599 56.33720 6.470511       7.650969  7.905735       6.393199  -5.249054      94.10362 
1 1 1 -1  -10 2  o 115.9360 51.76851 -6.758633      8.195782  3.098538       7.099612  -30.41431      86.20744 
1 1 1 -1  -10 3  o 168.6200 61.94656 7.478831       8.636657  5.254368       8.370305  13.61143       101.3686 
1 1 1 -1  -10 4  o 353.6884 41.99466 34.02727       8.057384  20.67105       10.48134  100.5711       94.99091 
1 1 1 -1  -10 5  o 174.6032 58.69644 9.730717       7.433902  3.851546       7.589249  38.20399       96.70490 
1 1 1 -1  -10 6  o 300.1254 47.49590 17.15209       8.229228  25.29587       8.908138  -59.30899      95.37351 
1 1 1 -1  -10 7  o 429.1009 24.92649 39.32570       6.290719  42.88942       6.974876  -17.94180      50.53504 
1 1 1 -1  -10 8  o 123.3913 50.52145 -1.002691      5.979637  4.326239       6.346217  -34.59718      83.73078 
1 1 1 -1  -10 9  o 659.5967 30.24564 0.000000       0.000000  97.51115       8.727404  ?              ?        
1 1 1 -1  -10 10 o 363.2004 43.81902 35.20329       8.223030  19.64016       12.32282  112.3984       101.9812 
1 1 1 -1  -10 11 o 909.5077 30.48604 173.3823       16.70967  199.3822       17.68260  -63.57556      61.80196 
1 1 1 -1  -10 12 o 915.1522 30.16920 211.8047       17.80693  169.7827       16.47695  101.9100       61.40044 
1 1 1 -1  -10 13 o 258.4269 65.06201 11.70749       10.54790  23.65754       10.29948  -75.85509      113.3631 
1 1 1 -1  -10 14 o 172.7210 61.60924 5.671580       7.543016  10.83548       9.424692  -33.48122      101.4868 
1 1 1 -1  -10 15 o 148.5823 57.28837 6.372477       7.188571  4.058958       7.780508  10.06993       92.22786 
1 1 1 -1  -10 16 o 189.0721 57.78207 15.46973       7.551373  5.579473       7.263057  65.33485       94.89799 
1 1 1 -1  -10 17 o 129.6026 48.26913 5.834478       5.176178  2.682822       5.208962  20.96122       77.81322 
1 1 1 -1  -10 18 o 135.3088 48.15916 1.033769       4.900057  9.568797       5.295564  -62.04881      76.94878 
1 1 1 -1  -10 19 o 84.68313 39.14148 -2.535982      4.677324  0.1278029      4.997861  -14.03613      65.39952 
1 1 1 -1  -9  1  o 436.4007 30.64023 42.94060       5.827872  0.000000       0.000000  ?              ?        
1 1 1 -1  -9  2  o 151.3187 50.01942 6.775794       5.356698  3.643038       5.565821  23.48169       82.87041 
1 1 1 -1  -9  3  o 547.9976 29.37639 67.98247       7.035390  0.000000       0.000000  ?              ?        
1 1 1 -1  -9  4  o 372.0997 41.97686 37.23361       9.341925  27.50219       9.709162  65.46896       90.38380 
1 1 1 -1  -9  5  o 366.6316 44.92323 33.24151       9.884538  29.80208       10.12712  23.76358       94.97545 
1 1 1 -1  -9  6  o 144.5193 59.63369 11.53268       7.995834  -11.34880      9.528104  92.82945       94.04940 
1 1 1 -1  -9  7  f 492.1418 31.57204 48.97955       9.147992  60.48001       10.09748  -52.12323      64.19078 
1 1 1 -1  -9  8  o 241.8632 61.11868 20.02169       9.888973  9.626490       8.591564  74.05888       107.3565 
1 1 1 -1  -9  9  o 582.2383 41.90594 0.000000       0.000000  77.19624       10.63072  ?              ?        
1 1 1 -1  -9  10 o 130.3856 55.35447 2.722534       7.198861  -2.019401      8.561227  10.65384       91.88779 
1 1 1 -1  -9  11 o 311.3506 48.71014 27.46658       8.240036  15.26055       10.30008  91.00241       99.85878 
1 1 1 -1  -9  12 o 269.4693 53.93264 16.47549       7.784414  19.40273       10.04081  -17.12462      104.6251 
1 1 1 -1  -9  13 o 126.3769 53.56239 -1.905490      6.281285  7.157030       8.964594  -64.55461      92.26333 
1 1 1 -1  -9  14 o 159.5954 54.94925 6.295920       5.972349  5.930814       7.442132  -3.531158      91.05515 
1 1 1 -1  -9  15 o 382.5942 31.91864 35.28716       6.881907  32.65708       8.338833  27.39304       69.74895 
1 1 1 -1  -9  16 o 108.6428 46.12534 -0.3254452     5.231157  2.885032       5.610126  -20.41516      75.83954 
1 1 1 -1  -9  17 o 214.3498 47.19386 14.37977       6.000645  10.02470       6.214972  38.78795       87.57866 
1 1 1 -1  -9  18 o 105.8200 45.64360 0.5185320      5.237351  2.124175       5.698683  -10.96975      74.31347 
1 1 1 -1  -9  19 o 114.8130 47.25865 -1.531402      5.331859  7.374824       5.517106  -50.14909      75.72288 
1 1 1 -1  -9  20 o 131.4738 50.80091 2.729221       5.715977  7.288621       6.060627  -26.58069      80.86267 
1 1 1 -1  -8  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -8  2  o 205.6059 39.65332 8.545885       4.906124  11.14723       4.842813  -26.25583      75.95547 
1 1 1 -1  -8  3  o 406.1559 24.02380 35.65207       5.962053  38.08759       6.091401  -13.57401      48.75761 
1 1 1 -1  -8  4  o 199.8598 46.92516 10.15502       5.770817  9.291525       5.665751  7.816727       85.42126 
1 1 1 -1  -8  5  o 410.0601 26.88049 37.20002       6.667096  38.76566       6.940879  -7.923584      54.95901 
1 1 1 -1  -8  6  o 127.9018 51.41724 3.365641       5.708240  0.5876694      6.957893  5.672623       84.71404 
1 1 1 -1  -8  7  o 482.9300 35.41766 50.29985       9.503043  56.47670       12.00171  -22.58374      73.90762 
1 1 1 -1  -8  8  o 164.8148 62.25835 11.91961       8.505720  -2.783885      8.915113  77.38248       99.61661 
1 1 1 -1  -8  9  f 118.6560 49.89145 -1.848114      6.273313  3.130561       6.189286  -26.61579      82.95748 
1 1 1 -1  -8  10 o 190.5576 64.09456 15.15963       9.245044  2.263814       8.691079  80.58308       104.0942 
1 1 1 -1  -8  11 f 189.8965 62.65656 5.936989       8.242872  11.30757       8.930202  -36.63770      104.1893 
1 1 1 -1  -8  12 o 793.4653 20.14415 134.0906       9.479564  145.5546       10.39800  -31.76874      40.55668 
1 1 1 -1  -8  13 o 662.9543 20.47849 94.99323       8.080985  100.6187       8.786345  -18.10718      41.32882 
1 1 1 -1  -8  14 o 336.9625 29.34877 22.89343       5.743725  29.59960       6.467436  -43.63019      60.72816 
1 1 1 -1  -8  15 o 189.2420 41.90282 7.900942       4.485975  9.974562       5.163283  -19.44907      78.02652 
1 1 1 -1  -8  16 o 117.9050 46.74127 3.211571       4.719271  1.682881       5.553899  3.838943       76.21060 
1 1 1 -1  -8  17 o 113.0332 46.49461 1.047854       5.045481  3.052745       5.466977  -14.76730      75.97493 
1 1 1 -1  -8  18 f 134.8655 49.38961 2.698173       5.345533  6.775720       5.449478  -27.76765      79.74178 
1 1 1 -1  -8  19 o 136.1480 50.67096 -0.5032189     5.566786  11.10512       5.886918  -74.75648      79.89436 
1 1 1 -1  -8  20 o 98.95354 44.88762 -2.595129      5.875689  2.484019       6.061106  -21.30105      73.54148 
1 1 1 -1  -7  1  o 160.2704 43.19481 2.345390       4.303195  9.890362       4.484159  -74.73788      71.80792 
1 1 1 -1  -7  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -7  3  o 126.9835 48.29274 5.037337       5.353099  0.5702978      5.167245  33.39809       79.35438 
1 1 1 -1  -7  4  o 364.9610 36.83337 0.000000       0.000000  30.43539       5.815835  ?              ?        
1 1 1 -1  -7  5  o 704.3181 18.57976 104.1327       7.872181  116.7333       8.371788  -40.02167      37.41030 
1 1 1 -1  -7  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -7  7  o 160.8548 50.61100 9.041834       5.094660  1.507382       6.388024  50.66119       82.33948 
1 1 1 -1  -7  8  o 175.3258 45.38440 7.065057       4.927392  7.470547       5.021897  -4.132095      80.11863 
1 1 1 -1  -7  9  o 380.3307 24.49451 32.02292       5.693880  32.26819       5.804082  -1.294891      49.63246 
1 1 1 -1  -7  10 o 403.4030 31.44107 36.53733       7.750251  36.42551       7.862349  0.9182129      64.26133 
1 1 1 -1  -7  11 o 399.9861 32.25999 35.60582       7.776158  36.54002       8.107161  -4.516724      66.21452 
1 1 1 -1  -7  12 o 386.2311 32.07650 34.75639       7.502165  32.41424       7.734810  14.95929       66.05740 
1 1 1 -1  -7  13 o 356.2520 35.33182 32.78857       7.931704  25.30827       7.497115  48.24777       73.54564 
1 1 1 -1  -7  14 o 691.3813 26.86338 0.000000       0.000000  107.2329       8.131158  ?              ?        
1 1 1 -1  -7  15 o 418.3083 20.70898 37.33516       5.125678  41.28935       5.622693  -20.28275      42.02088 
1 1 1 -1  -7  16 o 379.7664 22.17668 37.42709       5.103858  27.29186       5.305147  63.60202       46.38345 
1 1 1 -1  -7  17 o 241.3557 33.34620 13.19574       4.674969  14.90185       5.067252  -13.40088      70.18833 
1 1 1 -1  -7  18 o 103.4463 43.26224 4.338308       4.517874  -1.957026      4.786579  35.70434       70.16994 
1 1 1 -1  -7  19 o 112.6770 45.25583 -1.601910      4.674393  7.431913       5.002986  -59.40957      72.70814 
1 1 1 -1  -7  20 o 78.37148 36.99735 -5.102743      4.548249  0.6399871      4.880082  -26.13642      63.37764 
1 1 1 -1  -7  21 f 68.98901 33.46479 -2.684654      4.190970  -5.662229      4.804402  3.596947       57.59435 
1 1 1 -1  -6  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -6  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -6  3  o 441.7597 19.23067 42.65735       5.243071  43.53476       5.271457  -4.528534      38.69418 
1 1 1 -1  -6  4  o 178.7863 43.88492 6.065828       4.814153  8.984361       4.846736  -28.64584      78.11713 
1 1 1 -1  -6  5  o 646.6151 17.44903 89.25803       6.898072  95.75671       7.091042  -22.74835      35.07056 
1 1 1 -1  -6  6  o 295.3289 30.54305 17.14190       5.414878  22.81624       5.620450  -44.79865      63.92592 
1 1 1 -1  -6  7  o 235.7158 37.79600 11.61253       5.124044  14.74745       5.585331  -28.08670      76.32548 
1 1 1 -1  -6  8  o 813.1624 24.90891 0.000000       0.000000  147.5836       8.874031  ?              ?        
1 1 1 -1  -6  9  o 812.9083 16.79826 155.3193       8.874935  137.5809       8.117197  49.02637       33.74686 
1 1 1 -1  -6  10 o 167.8794 44.05785 8.135357       4.717405  5.144869       4.575885  29.81439       76.93509 
1 1 1 -1  -6  11 o 407.7091 27.45121 40.75565       7.113729  33.84534       6.708535  38.45102       55.83791 
1 1 1 -1  -6  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -6  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -6  14 f 162.8645 47.25311 8.496182       4.636915  3.048553       5.604466  42.48131       79.06875 
1 1 1 -1  -6  15 f 520.6484 23.37265 57.26300       7.277800  64.54832       7.809027  -30.80679      47.36466 
1 1 1 -1  -6  16 o 270.7487 35.27072 13.20676       5.449184  22.39953       6.186960  -75.13818      73.61146 
1 1 1 -1  -6  17 o 277.3049 28.37135 17.09233       4.557647  18.82761       5.113519  -10.99280      59.85674 
1 1 1 -1  -6  18 o 268.8450 29.00940 15.62599       4.565564  18.60375       4.984798  -23.16115      61.47987 
1 1 1 -1  -6  19 o 205.6703 33.87400 12.23823       4.121161  8.532103       4.223466  40.95683       68.67458 
1 1 1 -1  -6  20 o 172.8129 38.48212 10.18047       4.124408  5.654161       3.921884  47.03816       70.43804 
1 1 1 -1  -6  21 o 276.1551 28.54396 28.23750       5.292020  11.71449       4.454194  132.8112       63.14902 
1 1 1 -1  -6  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -5  1  o 446.4193 16.11323 44.55619       4.465443  43.20791       4.444244  6.900757       32.34731 
1 1 1 -1  -5  2  o 189.9654 32.50725 6.194632       3.679374  10.27058       3.706806  -46.56201      63.48259 
1 1 1 -1  -5  3  o 984.3926 16.98262 216.4300       10.49458  210.1453       10.25024  14.42590       34.02182 
1 1 1 -1  -5  4  o 921.2045 23.37149 0.000000       0.000000  187.5696       9.436107  ?              ?        
1 1 1 -1  -5  5  o 881.5610 16.45036 174.1601       9.133809  168.4518       8.864032  14.54779       33.01994 
1 1 1 -1  -5  6  o 233.9697 33.26368 17.77515       4.877697  8.045827       4.525830  93.31584       67.48652 
1 1 1 -1  -5  7  o 127.8342 47.12539 5.703824       5.161291  1.165233       4.720951  37.66489       77.39954 
1 1 1 -1  -5  8  o 300.5707 26.29267 19.44511       4.712685  21.50598       5.006567  -14.98425      54.15636 
1 1 1 -1  -5  9  o 217.6601 31.52397 9.618354       3.945655  12.32612       4.348835  -27.32169      64.27877 
1 1 1 -1  -5  10 o 160.0935 38.69186 4.376355       4.036625  7.262998       3.599641  -30.18463      68.83342 
1 1 1 -1  -5  11 o 404.7320 20.83650 36.70424       4.588893  35.46761       6.191162  9.568542       44.33028 
1 1 1 -1  -5  12 o 341.8361 20.43195 27.19938       4.415588  24.75718       4.216842  16.12531       41.31746 
1 1 1 -1  -5  13 o 733.5429 16.84645 123.6346       7.806086  114.1967       7.532575  29.10077       33.86269 
1 1 1 -1  -5  14 o 138.1970 57.88086 9.182516       8.724990  -5.118784      7.994181  74.96643       95.81290 
1 1 1 -1  -5  15 o 226.3286 78.99841 12.94247       9.642135  0.000000       0.000000  ?              ?        
1 1 1 -1  -5  16 o 520.7898 27.49376 61.38461       6.258303  0.000000       0.000000  ?              ?        
1 1 1 -1  -5  17 o 134.8065 46.84773 7.780065       4.681113  0.3314674      4.912562  56.93301       74.84966 
1 1 1 -1  -5  18 o 104.6389 42.23988 2.867374       3.979827  0.3183588      4.536644  12.54908       68.80691 
1 1 1 -1  -5  19 o 244.3857 32.01462 21.86067       4.804412  7.313577       4.671862  135.5899       66.72497 
1 1 1 -1  -5  20 o 153.8106 41.90481 4.893980       3.883382  8.207026       4.371978  -31.62059      72.76781 
1 1 1 -1  -5  21 o 78.82343 35.56744 -1.316201      3.582017  0.3521699      3.802785  -11.50089      59.34055 
1 1 1 -1  -5  22 o 163.2926 39.45628 11.11491       4.002332  3.605315       3.902941  75.77591       67.52390 
1 1 1 -1  -4  1  o 202.4144 23.37215 7.118546       2.892927  11.15393       2.868851  -47.01299      49.01043 
1 1 1 -1  -4  2  o 463.7564 13.87281 49.97913       4.085770  44.86871       3.893965  25.05417       27.81760 
1 1 1 -1  -4  3  o 683.9266 19.92325 103.0803       5.970459  0.000000       0.000000  ?              ?        
1 1 1 -1  -4  4  o 284.0825 20.73087 17.42132       3.750820  18.27911       3.516676  -7.399689      42.21132 
1 1 1 -1  -4  5  o 456.6502 22.99404 46.17274       4.590927  0.000000       0.000000  ?              ?        
1 1 1 -1  -4  6  o 484.2975 22.30663 0.000000       0.000000  52.00479       4.725845  ?              ?        
1 1 1 -1  -4  7  o 361.2914 20.17005 32.07489       4.707873  26.43922       4.321850  35.08179       40.80729 
1 1 1 -1  -4  8  o 136.9981 42.23866 6.028874       4.009995  2.866741       3.883065  31.65477       70.72456 
1 1 1 -1  -4  9  o 544.3861 15.73138 64.02058       5.248553  67.17242       5.367071  -13.06439      31.63573 
1 1 1 -1  -4  10 o 381.8366 17.70586 34.75366       4.314143  30.03460       4.062057  27.98007       35.67560 
1 1 1 -1  -4  11 o 355.3937 26.17323 28.14473       4.051455  0.000000       0.000000  ?              ?        
1 1 1 -1  -4  12 o 511.9072 16.56449 61.44091       5.360760  54.43540       5.151625  31.09903       33.27760 
1 1 1 -1  -4  13 o 354.4457 30.47049 0.000000       0.000000  28.29545       4.691364  ?              ?        
1 1 1 -1  -4  14 o 489.4583 27.74751 0.000000       0.000000  53.55319       5.932785  ?              ?        
1 1 1 -1  -4  15 o 494.3934 27.18844 54.70681       5.873312  0.000000       0.000000  ?              ?        
1 1 1 -1  -4  16 o 246.9370 37.53307 6.272404       8.795485  16.27243       4.403490  -81.87166      82.66233 
1 1 1 -1  -4  17 o 317.1165 46.65265 28.73580       8.751005  20.20506       9.063622  64.59528       97.54960 
1 1 1 -1  -4  18 o 140.4704 46.77514 5.029766       3.614284  3.927277       9.401018  -17.58455      85.21927 
1 1 1 -1  -4  19 o 129.0624 42.72305 5.114670       3.941605  3.155722       4.022787  17.25208       70.58310 
1 1 1 -1  -4  20 o 155.8062 42.83568 5.710312       4.165924  7.336182       4.378194  -15.37843      74.29817 
1 1 1 -1  -4  21 o 186.9807 37.86306 10.46967       4.087078  7.554093       4.413451  33.23795       72.34840 
1 1 1 -1  -4  22 o 85.46620 37.56215 1.033633       3.818017  -0.3332900     3.867647  7.336937       61.48332 
1 1 1 -1  -4  23 o 86.65938 40.62278 0.000000       0.000000  -1.548644      3.888343  ?              ?        
1 1 1 -1  -3  1  o 382.1582 11.41684 32.66354       2.736068  31.56367       2.671969  6.539337       22.88571 
1 1 1 -1  -3  2  o 771.9874 18.68272 0.000000       0.000000  131.1609       6.326327  ?              ?        
1 1 1 -1  -3  3  o 577.6329 12.31442 66.52279       4.255219  81.15364       4.588560  -57.55133      24.69460 
1 1 1 -1  -3  4  o 523.5344 17.82394 60.37458       4.087112  0.000000       0.000000  ?              ?        
1 1 1 -1  -3  5  o 370.6669 14.53142 34.99126       3.474305  26.20529       3.210801  53.91675       29.25048 
1 1 1 -1  -3  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -3  7  o 297.5317 17.47591 19.20254       3.213244  20.00086       3.209241  -6.200806      35.30733 
1 1 1 -1  -3  8  o 729.1407 20.90862 118.1995       6.680199  0.000000       0.000000  ?              ?        
1 1 1 -1  -3  9  o 196.7867 29.71089 11.32228       3.516455  6.542772       3.511472  54.96326       60.11165 
1 1 1 -1  -3  10 o 243.3758 34.50864 0.000000       0.000000  13.65391       3.580713  ?              ?        
1 1 1 -1  -3  11 o 841.4717 22.49753 156.8110       8.296327  0.000000       0.000000  ?              ?        
1 1 1 -1  -3  12 o 88.79447 39.65844 -1.196484      3.151206  0.000000       0.000000  ?              ?        
1 1 1 -1  -3  13 o 761.0201 15.58718 131.5572       7.463753  123.8792       7.257271  22.85901       31.29415 
1 1 1 -1  -3  14 o 494.7235 15.91413 56.04482       4.899405  52.07813       4.855864  18.32083       31.99440 
1 1 1 -1  -3  15 o 240.0889 25.22460 14.67940       3.672095  11.16198       3.730002  34.87909       52.69408 
1 1 1 -1  -3  16 o 101.9962 39.14442 2.668725       3.378257  0.6210598      3.580369  15.24251       64.33933 
1 1 1 -1  -3  17 o 293.9505 23.90008 18.92739       4.091969  20.23355       4.592056  -8.326019      49.28516 
1 1 1 -1  -3  18 o 206.5405 41.93863 18.01411       9.344302  9.176828       3.990128  52.92690       91.28906 
1 1 1 -1  -3  19 f 300.9434 75.71008 29.49700       9.983807  0.000000       0.000000  ?              ?        
1 1 1 -1  -3  20 f 143.1813 65.93179 1.703035       9.559955  0.000000       0.000000  ?              ?        
1 1 1 -1  -3  21 o 167.1752 41.31953 5.682198       4.303713  9.306793       4.217767  -36.45015      73.26614 
1 1 1 -1  -3  22 o 121.6624 43.22673 5.856988       4.406659  2.536188       3.843205  27.99285       70.50555 
1 1 1 -1  -3  23 o 107.3531 41.93384 3.494769       4.030208  2.163798       4.051526  9.168755       67.26620 
1 1 1 -1  -2  1  o 222.6420 11.10996 12.31831       1.556953  9.600403       1.503532  27.96547       22.43915 
1 1 1 -1  -2  2  o 198.9487 13.04151 8.261490       1.612730  9.189848       1.588749  -10.81766      26.39932 
1 1 1 -1  -2  3  o 187.2352 13.53398 6.974959       1.543197  8.547415       1.580071  -19.37856      27.49107 
1 1 1 -1  -2  4  o 950.5884 21.50263 199.0915       8.965723  0.000000       0.000000  ?              ?        
1 1 1 -1  -2  5  f 537.9827 15.84600 63.69915       3.735216  0.000000       0.000000  ?              ?        
1 1 1 -1  -2  6  o 111.2210 30.58686 3.954335       2.176894  1.708037       2.174733  31.53402       52.07437 
1 1 1 -1  -2  7  o 163.8312 26.24265 4.180711       2.568844  8.038385       2.585221  -51.96275      51.87146 
1 1 1 -1  -2  8  f 150.1239 30.66205 5.643260       2.762889  4.820903       2.754679  11.02078       57.83918 
1 1 1 -1  -2  9  o 141.9199 32.97198 4.804671       2.865905  4.695730       2.828789  1.480728       60.06065 
1 1 1 -1  -2  10 o 361.7591 22.34861 0.000000       0.000000  29.28572       3.528952  ?              ?        
1 1 1 -1  -2  11 o 374.5812 21.97600 0.000000       0.000000  31.20465       3.594876  ?              ?        
1 1 1 -1  -2  12 o 212.5644 22.32235 7.668461       2.837069  12.75209       2.966279  -55.93332      46.89801 
1 1 1 -1  -2  13 o 308.9935 17.90113 20.39811       3.403935  21.86653       3.429227  -10.92075      36.15386 
1 1 1 -1  -2  14 o 403.6369 16.17750 34.28351       4.055453  37.69023       4.029447  -19.42691      32.59796 
1 1 1 -1  -2  15 o 328.4742 27.75665 0.000000       0.000000  24.22473       3.961772  ?              ?        
1 1 1 -1  -2  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -2  17 o 125.6348 38.49659 5.758008       3.267799  1.560898       3.298846  44.60804       63.39908 
1 1 1 -1  -2  18 o 282.9377 22.21014 14.86440       3.791440  21.59180       3.947100  -55.22691      46.34731 
1 1 1 -1  -2  19 o 155.8601 37.51598 4.786806       3.548573  7.358746       3.618947  -28.90143      67.29453 
1 1 1 -1  -2  20 o 226.7607 39.39829 19.54973       8.237994  11.19527       4.249460  39.31403       86.74469 
1 1 1 -1  -2  21 o 123.4657 58.63290 -2.012172      8.596536  0.000000       0.000000  ?              ?        
1 1 1 -1  -2  22 o 135.2382 49.86916 5.256691       3.901429  0.000000       0.000000  ?              ?        
1 1 1 -1  -2  23 o 133.7306 41.47172 7.579174       4.075397  3.171079       3.568156  40.36274       68.97185 
1 1 1 -1  -2  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  -1  1  o 213.4127 6.475099 10.58738       0.8732588 9.460572       0.8401223 12.03725       12.97646 
1 1 1 -1  -1  2  o 804.1442 12.48321 141.5427       6.211452  142.5492       6.242597  -2.843079      24.98609 
1 1 1 -1  -1  3  o 306.6465 7.993170 20.56516       1.507611  20.73752       1.530975  -1.271423      16.01183 
1 1 1 -1  -1  4  o 514.1754 9.526438 57.13317       2.996639  58.98865       3.082149  -8.201385      19.08605 
1 1 1 -1  -1  5  o 634.1161 11.02797 89.10543       4.367083  87.50746       4.309315  5.727661       22.06965 
1 1 1 -1  -1  6  o 236.7152 12.28768 13.74325       1.832665  11.04450       1.765493  26.10501       24.79555 
1 1 1 -1  -1  7  o 225.2540 13.79090 11.93583       1.947598  10.50748       1.889257  14.52327       27.84125 
1 1 1 -1  -1  8  o 167.1385 19.60152 6.048413       2.021558  6.455733       1.966970  -5.926788      40.41236 
1 1 1 -1  -1  9  o 334.1446 13.14525 23.51490       2.710439  25.80735       2.728431  -15.71674      26.45823 
1 1 1 -1  -1  10 o 70.64764 31.02214 -1.210355      3.324352  0.9378991E-02  2.225968  8.839188       53.33845 
1 1 1 -1  -1  11 o 518.1282 12.74071 62.97284       4.153130  55.52041       4.039123  32.76547       25.61098 
1 1 1 -1  -1  12 o 463.0060 12.78726 45.59270       3.585255  48.94971       3.759205  -16.41010      25.64961 
1 1 1 -1  -1  13 o 216.9547 20.44975 11.23699       2.673896  9.681067       2.767927  17.11328       42.18299 
1 1 1 -1  -1  14 o 336.3234 15.93197 23.29873       3.253084  26.82101       3.379344  -23.86810      32.10253 
1 1 1 -1  -1  15 o 849.4868 15.87454 155.1273       8.211836  163.6362       8.527392  -22.50830      31.88708 
1 1 1 -1  -1  16 o 67.60672 31.45519 -1.740754      3.230174  -2.189240      3.166512  3.585281       54.59059 
1 1 1 -1  -1  17 f 214.6091 25.53748 14.11860       3.419296  7.128862       3.253134  75.79218       53.89759 
1 1 1 -1  -1  18 o 235.9759 24.01527 15.04938       3.517798  10.38589       3.417277  46.46326       50.55339 
1 1 1 -1  -1  19 o 334.4614 19.34212 23.11841       3.930402  27.37459       4.064690  -29.00336      39.47349 
1 1 1 -1  -1  20 o 210.9839 27.51186 9.834644       3.481165  11.24542       3.549852  -15.33453      57.91799 
1 1 1 -1  -1  21 o 93.17539 37.56805 0.4435656      3.208483  2.642759       3.494847  -19.62146      61.49454 
1 1 1 -1  -1  22 o 124.9440 55.01060 4.502039       7.993603  1.627864       8.589903  8.039764       86.50440 
1 1 1 -1  -1  23 f 164.7256 69.82170 12.72512       8.742601  0.000000       0.000000  ?              ?        
1 1 1 -1  -1  24 o 95.78332 42.78045 0.8880860      3.667004  0.000000       0.000000  ?              ?        
1 1 1 -1  0   1  f 738.2547 11.26384 119.6927       5.162533  119.6794       5.154137  0.3790283E-01  22.54225 
1 1 1 -1  0   2  o 109.0559 9.481909 3.060076       0.6561137 2.251768       0.6159439 17.10945       19.39981 
1 1 1 -1  0   3  o 290.4398 7.216635 17.40653       1.270905  19.72193       1.331599  -18.16476      14.47060 
1 1 1 -1  0   4  o 411.2278 8.318902 36.55175       2.102236  37.69838       2.142527  -6.348785      16.66779 
1 1 1 -1  0   5  o 1536.524 23.13526 522.5585       22.08232  518.6406       22.01998  5.781738       46.39655 
1 1 1 -1  0   6  o 685.6749 11.60303 105.7583       5.002318  100.8988       4.870742  16.11139       23.22332 
1 1 1 -1  0   7  o 671.2847 11.65406 96.27106       4.752271  101.9871       4.960183  -19.31659      23.33140 
1 1 1 -1  0   8  o 275.8489 11.76079 17.30766       1.987499  16.18968       2.028793  9.349091       23.66658 
1 1 1 -1  0   9  o 236.3490 14.21134 12.38502       2.041052  12.33695       2.108454  0.6122589      28.72093 
1 1 1 -1  0   10 o 512.5610 11.88646 55.84007       3.663873  60.25900       3.906433  -19.34842      23.88686 
1 1 1 -1  0   11 o 547.2723 12.24485 68.47688       4.169725  63.58369       4.144262  20.43048       24.60731 
1 1 1 -1  0   12 o 836.9962 14.54075 150.3104       7.361969  158.7957       7.752449  -22.76068      29.15563 
1 1 1 -1  0   13 o 588.6303 12.51614 79.13009       4.653247  73.45287       4.491331  21.90735       25.10573 
1 1 1 -1  0   14 o 198.7624 19.43675 7.768647       2.377304  9.830159       2.354633  -24.49013      40.25868 
1 1 1 -1  0   15 o 491.3958 12.87292 54.86818       3.982373  51.64960       3.861580  14.83945       25.83013 
1 1 1 -1  0   16 o 471.7175 13.73538 49.77546       4.117430  48.40059       3.919691  6.429535       27.59017 
1 1 1 -1  0   17 o 74.47411 32.96581 -0.7753670     2.996693  -0.4035308     3.023654  -3.020256      55.81182 
1 1 1 -1  0   18 o 321.2351 17.48501 23.68656       3.572989  22.35351       3.377423  9.016174       35.41139 
1 1 1 -1  0   19 o 419.1333 16.06215 39.43290       4.190776  38.88617       4.146349  2.859924       32.45691 
1 1 1 -1  0   20 o 64.68170 30.32738 -3.974906      3.113002  0.2015289      3.024581  -21.31097      52.36812 
1 1 1 -1  0   21 o 145.3830 36.27817 7.138843       3.245303  3.604190       3.276913  40.70586       63.54291 
1 1 1 -1  0   22 o 138.8597 37.93901 2.839544       3.372105  7.409385       3.348187  -49.12102      63.93085 
1 1 1 -1  0   23 o 218.5171 29.08966 11.05914       3.854956  12.53770       3.835643  -16.59094      62.49977 
1 1 1 -1  0   24 o 99.88033 47.59138 -1.854798      7.655283  -1.188079      8.744330  -5.644905      76.49463 
1 1 1 -1  1   1  o 146.4625 6.322437 5.159623       0.5888891 4.315707       0.5584497 13.14796       12.70016 
1 1 1 -1  1   2  o 481.1072 8.031658 49.80669       2.369174  51.83589       2.425776  -9.602142      16.06872 
1 1 1 -1  1   3  o 224.6992 7.035274 11.14526       0.9972278 11.03787       0.9625090 1.068619       14.10555 
1 1 1 -1  1   4  o 330.2842 7.763762 24.66519       1.607494  23.24332       1.574336  9.815887       15.56334 
1 1 1 -1  1   5  o 87.32888 20.96378 1.538758       1.128621  1.950768       1.113975  -8.367439      37.62621 
1 1 1 -1  1   6  o 990.1611 21.78536 216.1168       9.461758  0.000000       0.000000  ?              ?        
1 1 1 -1  1   7  o 401.4294 9.656536 33.89356       2.371014  36.96118       2.439700  -17.41541      19.36637 
1 1 1 -1  1   8  f 334.8796 10.54792 25.08034       2.193664  24.25348       2.183204  5.639404       21.15474 
1 1 1 -1  1   9  o 237.7303 13.30791 13.70796       1.996184  11.36467       1.915644  22.53979       26.88094 
1 1 1 -1  1   10 o 247.2496 20.39600 0.000000       0.000000  13.68806       2.192327  ?              ?        
1 1 1 -1  1   11 o 228.2701 15.79457 11.71655       2.191081  11.44486       2.255793  2.952148       32.07665 
1 1 1 -1  1   12 o 126.6554 27.81639 4.785502       2.055001  2.495488       2.203850  33.63412       50.41782 
1 1 1 -1  1   13 o 736.8099 13.43211 121.7787       6.190741  117.1945       6.089039  14.13293       26.93946 
1 1 1 -1  1   14 o 763.2079 14.00622 125.7388       6.563419  130.8014       6.700747  -15.03662      28.09754 
1 1 1 -1  1   15 f 626.2546 13.11777 82.76203       4.972215  90.35870       5.229465  -27.43567      26.33132 
1 1 1 -1  1   16 o 470.5616 13.45533 51.49391       3.973605  46.26862       3.875373  25.29333       27.02158 
1 1 1 -1  1   17 o 315.4848 17.44047 18.78328       3.340090  25.61377       3.462936  -49.72842      35.53391 
1 1 1 -1  1   18 o 265.5086 17.79520 17.57909       3.014415  14.08534       2.822913  29.89633       36.19707 
1 1 1 -1  1   19 o 168.1282 26.35705 5.245073       2.760806  7.713917       2.566942  -33.86986      53.39747 
1 1 1 -1  1   20 o 145.2112 32.73195 6.847094       2.997355  3.723482       2.771261  39.51240       59.45924 
1 1 1 -1  1   21 o 331.5405 17.79182 20.44823       3.462270  30.39193       3.861734  -67.15759      36.53152 
1 1 1 -1  1   22 o 88.33102 35.89597 0.2649246      3.052875  2.331314       3.105642  -16.79294      58.48940 
1 1 1 -1  1   23 o 75.51735 33.29820 1.710976       3.111320  -1.431006      2.978409  22.01357       55.15538 
1 1 1 -1  1   24 o 251.4678 25.12304 17.30710       4.029909  13.81908       3.721586  29.35406       54.59647 
1 1 1 -1  1   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  2   1  o 675.9088 15.19799 100.4325       4.505836  0.000000       0.000000  ?              ?        
1 1 1 -1  2   2  o 644.5333 10.34892 90.53491       4.110966  91.90178       4.164916  -4.818726      20.70955 
1 1 1 -1  2   3  o 266.5742 7.464846 15.38651       1.249531  15.81469       1.217460  -3.689911      14.96691 
1 1 1 -1  2   4  o 358.2353 7.887677 28.14483       1.752430  28.18220       1.753181  -0.2378845     15.80749 
1 1 1 -1  2   5  o 349.9693 8.223860 28.08697       1.844351  25.81679       1.731661  14.74658       16.48924 
1 1 1 -1  2   6  o 576.5617 10.20834 70.84487       3.596792  75.26455       3.707830  -17.62469      20.43976 
1 1 1 -1  2   7  o 403.2520 9.287805 36.30824       2.351492  35.12402       2.296104  6.677277       18.62107 
1 1 1 -1  2   8  o 545.8375 10.53202 63.15316       3.505785  67.93124       3.629599  -19.90582      21.11065 
1 1 1 -1  2   9  o 938.1093 15.02992 191.8148       8.680669  196.3268       8.813526  -10.84143      30.14036 
1 1 1 -1  2   10 o 73.22849 27.87667 0.6385850      1.762995  1.092570       1.743158  -5.273254      46.06150 
1 1 1 -1  2   11 o 203.7089 15.89268 11.24428       2.054362  7.465337       1.935715  42.82210       32.84911 
1 1 1 -1  2   12 o 478.6499 11.66130 52.52917       3.456022  48.33632       3.468878  20.06744       23.44214 
1 1 1 -1  2   13 o 128.9960 27.84013 4.175629       2.117947  3.479760       2.209615  10.24650       51.61552 
1 1 1 -1  2   14 o 354.1170 12.94369 26.78300       2.820359  28.48713       2.857009  -10.98413      25.99550 
1 1 1 -1  2   15 o 92.12362 31.35107 2.777772       2.170641  0.8119068      2.116120  25.32034       51.64568 
1 1 1 -1  2   16 o 510.5397 12.59961 57.88840       3.995113  56.92126       3.985454  4.323944       25.30739 
1 1 1 -1  2   17 o 453.5501 13.43827 46.40631       3.819887  44.37168       3.734829  10.15799       26.98269 
1 1 1 -1  2   18 f 255.0814 18.35377 12.03254       2.809127  17.29418       2.966813  -47.48308      37.76411 
1 1 1 -1  2   19 o 182.2693 23.48111 7.277352       2.552367  7.955941       2.636242  -8.312439      48.65448 
1 1 1 -1  2   20 o 261.1736 18.28981 15.14386       2.888744  15.63882       3.003460  -3.835434      37.42319 
1 1 1 -1  2   21 o 227.4129 20.34845 12.72067       2.831708  11.02279       2.848831  17.95065       42.55416 
1 1 1 -1  2   22 o 109.3858 34.65826 3.499254       2.685245  2.596572       2.591795  10.70156       57.94916 
1 1 1 -1  2   23 o 92.27940 35.55416 5.125363       2.988912  -0.8944134     2.772388  55.40562       56.57439 
1 1 1 -1  2   24 o 115.6108 37.29792 4.788266       3.212061  2.868319       2.899477  19.54355       61.79811 
1 1 1 -1  2   25 o 117.7438 38.07839 5.870315       3.347297  2.526857       3.020431  32.27322       62.56216 
1 1 1 -1  3   1  o 128.9625 11.92734 4.242363       0.9374989 3.111348       0.9493261 20.61662       24.76119 
1 1 1 -1  3   2  o 1585.178 33.90018 557.6502       23.57118  0.000000       0.000000  ?              ?        
1 1 1 -1  3   3  o 540.1429 9.612114 66.08169       3.290128  62.17752       3.155402  16.60669       19.24554 
1 1 1 -1  3   4  o 323.9331 8.650156 23.08138       1.745248  23.01495       1.728134  0.4589539      17.32970 
1 1 1 -1  3   5  o 557.7262 10.06848 66.05730       3.438191  70.65044       3.530404  -18.75684      20.17143 
1 1 1 -1  3   6  o 398.2958 9.191574 33.96254       2.260300  35.70308       2.281798  -9.971924      18.42868 
1 1 1 -1  3   7  o 699.8148 11.80825 106.6539       5.117941  108.5499       5.134249  -6.174255      23.63787 
1 1 1 -1  3   8  o 173.9319 14.38587 6.401982       1.588354  6.966921       1.492650  -7.811829      29.44090 
1 1 1 -1  3   9  o 945.8366 15.14760 205.7946       9.171715  189.6809       8.628041  38.28577       30.38254 
1 1 1 -1  3   10 o 154.6072 20.27269 4.355376       1.940349  6.359649       1.857328  -30.61827      42.13389 
1 1 1 -1  3   11 o 59.97388 26.19947 0.9955401      1.871953  -1.369768      1.818018  23.38591       44.21255 
1 1 1 -1  3   12 o 163.5535 28.30521 6.173123       1.957129  0.000000       0.000000  ?              ?        
1 1 1 -1  3   13 o 349.6273 11.87134 24.79310       2.520802  29.22137       2.624182  -28.86432      23.85000 
1 1 1 -1  3   14 o 130.7253 26.13831 4.195463       2.099329  3.684427       1.995556  8.085472       49.56437 
1 1 1 -1  3   15 o 240.7222 15.58983 14.10216       2.400012  11.72596       2.239205  22.43999       31.54157 
1 1 1 -1  3   16 o 295.5270 16.47045 18.13681       2.609717  21.76441       3.668786  -25.66351      34.36435 
1 1 1 -1  3   17 o 697.0504 13.78834 108.7710       6.009741  105.4551       5.915395  10.76611       27.68347 
1 1 1 -1  3   18 o 110.1648 32.36794 2.752067       2.429541  2.872813       2.291708  -0.5827560     55.31232 
1 1 1 -1  3   19 o 118.3074 40.11318 3.182241       2.480308  0.000000       0.000000  ?              ?        
1 1 1 -1  3   20 o 371.1049 14.12797 31.61003       3.315539  29.78615       3.181367  10.84967       28.53157 
1 1 1 -1  3   21 o 57.42511 26.95837 1.828005       2.531711  -4.377927      2.352207  43.11537       47.83218 
1 1 1 -1  3   22 o 95.36768 33.93314 2.740482       2.495271  1.457223       2.555837  13.12012       55.52174 
1 1 1 -1  3   23 o 99.70717 34.16957 4.501235       2.581902  0.6425022      2.512197  41.90686       54.89922 
1 1 1 -1  3   24 o 55.35483 26.38298 -1.682629      2.603637  -1.855206      2.420206  3.611732       45.38076 
1 1 1 -1  3   25 o 167.8712 29.25981 8.863513       3.090464  6.016230       2.803011  32.69830       59.11483 
1 1 1 -1  4   1  o 553.9036 10.41586 68.17801       3.592968  66.56245       3.564935  6.647278       20.86966 
1 1 1 -1  4   2  o 51.49143 21.25540 0.2801089      1.094269  0.3929745E-01  1.107899  2.997753       35.49380 
1 1 1 -1  4   3  o 243.1873 10.37991 12.66510       1.599287  13.32210       1.527673  -6.262970      20.89631 
1 1 1 -1  4   4  o 373.5630 9.383513 29.39029       2.138391  32.00078       2.208736  -15.91901      18.79793 
1 1 1 -1  4   5  f 407.5523 9.535748 35.75662       2.404528  37.17821       2.417045  -7.962860      19.11983 
1 1 1 -1  4   6  o 361.8237 9.830260 29.28460       2.262423  28.29584       2.150486  6.174469       19.70856 
1 1 1 -1  4   7  o 198.3521 13.64511 9.069851       1.718390  8.352348       1.623069  8.184982       27.58668 
1 1 1 -1  4   8  o 494.3373 10.44823 51.81541       3.168947  55.65562       3.240091  -17.69620      20.95084 
1 1 1 -1  4   9  o 234.1303 13.24218 9.890451       1.921771  14.30215       1.909089  -43.67709      27.27257 
1 1 1 -1  4   10 o 374.8444 15.74129 0.000000       0.000000  31.13076       2.582408  ?              ?        
1 1 1 -1  4   11 o 372.0869 11.58552 28.41707       2.668829  32.70671       2.672842  -26.42899      23.33386 
1 1 1 -1  4   12 o 306.1961 17.52070 20.83949       2.343341  0.000000       0.000000  ?              ?        
1 1 1 -1  4   13 o 451.2072 11.63070 46.62477       3.362551  43.22063       3.152846  17.02344       23.33223 
1 1 1 -1  4   14 o 585.0380 12.12604 72.30244       4.332662  78.44907       4.471999  -23.88580      24.32471 
1 1 1 -1  4   15 o 750.1910 13.66987 123.8376       6.375682  124.0718       6.347206  -0.7447510     27.43100 
1 1 1 -1  4   16 o 371.6328 12.64814 26.53486       2.847177  34.76631       2.980488  -50.52777      25.51687 
1 1 1 -1  4   17 o 431.8310 12.92453 42.81694       3.583450  39.63382       3.345307  16.54208       25.96069 
1 1 1 -1  4   18 o 247.8715 16.88046 13.86027       2.698454  13.50933       2.475974  2.641510       34.35493 
1 1 1 -1  4   19 o 247.6754 17.11269 13.43567       2.705024  13.94636       2.529768  -5.456909      34.96950 
1 1 1 -1  4   20 o 213.5434 19.83853 11.64224       2.715213  9.260283       2.494527  24.99670       41.08117 
1 1 1 -1  4   21 o 64.97701 28.86391 -0.6597309     2.430752  -0.4708133E-01 2.237107  -1.612206      48.42544 
1 1 1 -1  4   22 o 211.3581 20.35593 9.449858       2.584054  11.29025       2.690978  -19.86530      42.73532 
1 1 1 -1  4   23 o 217.6559 21.31588 9.492011       2.795616  12.93415       2.888952  -37.21693      45.67665 
1 1 1 -1  4   24 o 107.1450 34.61298 4.097878       2.706069  2.183096       2.543090  21.51752       57.25993 
1 1 1 -1  4   25 o 75.16781 32.14765 -0.2950442E-02 2.762041  1.295537       2.572705  -7.659859      52.15532 
1 1 1 -1  5   1  o 864.2671 20.26919 164.5231       7.683970  0.000000       0.000000  ?              ?        
1 1 1 -1  5   2  o 962.8964 15.55225 198.4691       9.075297  209.7964       9.519468  -26.60303      31.15056 
1 1 1 -1  5   3  o 143.9122 16.48845 4.783693       1.452002  4.448356       1.438898  5.436234       33.86023 
1 1 1 -1  5   4  o 296.7195 10.74116 17.64724       1.969622  21.08408       1.977943  -26.52753      21.62860 
1 1 1 -1  5   5  o 533.4410 10.85084 61.90822       3.613115  63.05779       3.568484  -4.945679      21.75283 
1 1 1 -1  5   6  o 397.9218 10.73914 33.12241       2.611588  36.57886       2.686846  -19.79697      21.52664 
1 1 1 -1  5   7  o 317.5181 11.11333 22.22448       2.192555  22.13065       2.178590  0.6641235      22.29604 
1 1 1 -1  5   8  o 318.6042 11.63115 21.49770       2.305444  23.18124       2.284471  -12.12973      23.37473 
1 1 1 -1  5   9  o 384.7367 11.00001 31.63331       2.637526  33.53071       2.607865  -11.32248      22.08604 
1 1 1 -1  5   10 o 581.6675 11.68452 79.12924       4.371264  70.60699       4.076211  33.03528       23.46281 
1 1 1 -1  5   11 o 415.8190 16.45092 0.000000       0.000000  38.40656       2.994594  ?              ?        
1 1 1 -1  5   12 f 426.1844 16.48316 40.26606       3.075529  0.000000       0.000000  ?              ?        
1 1 1 -1  5   13 o 74.55054 29.37397 -0.6585405     2.057377  1.954326       1.942410  -26.71842      47.92278 
1 1 1 -1  5   14 o 348.0346 12.72033 25.94354       2.797828  27.37214       2.688651  -9.539063      25.60320 
1 1 1 -1  5   15 o 380.4182 12.68589 32.79573       3.079006  31.08875       2.907269  10.05719       25.48309 
1 1 1 -1  5   16 o 355.7414 12.87216 27.07828       2.847958  28.75885       2.823925  -10.87299      25.88954 
1 1 1 -1  5   17 o 375.6107 13.72870 31.02057       3.360436  31.24679       3.049016  -1.868347      27.74375 
1 1 1 -1  5   18 o 159.9567 25.00927 7.845810       2.552784  4.288473       2.272272  48.72003       49.74947 
1 1 1 -1  5   19 o 119.2304 30.78976 2.457461       2.450235  4.102520       2.162621  -21.41693      53.81683 
1 1 1 -1  5   20 o 147.1988 26.42530 4.529746       2.440807  5.590590       2.222920  -16.24426      51.99519 
1 1 1 -1  5   21 o 117.6754 31.35393 4.094826       2.478898  2.925189       2.204820  16.25566       55.01035 
1 1 1 -1  5   22 o 220.0018 19.46728 9.582752       2.721937  12.51855       2.545596  -33.71835      41.78376 
1 1 1 -1  5   23 o 92.74179 33.23442 2.409498       2.579168  1.814302       2.297956  8.135956       54.49915 
1 1 1 -1  5   24 o 97.81886 33.86302 4.218422       2.742798  1.273573       2.316762  33.11473       55.56411 
1 1 1 -1  5   25 o 84.77081 32.95963 1.538381       2.655272  1.804921       2.347348  -0.3865128     53.17541 
1 1 1 -1  5   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  6   1  o 89.04362 30.25849 1.229606       1.933075  2.074154       2.065531  -12.81051      50.39365 
1 1 1 -1  6   2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  6   3  o 148.5562 20.38248 5.373616       1.770732  4.469174       1.893045  14.40129       41.81616 
1 1 1 -1  6   4  o 459.1970 11.23876 48.11452       3.233476  44.57862       3.170169  17.55905       22.54542 
1 1 1 -1  6   5  o 959.2459 15.76794 198.9760       9.315156  205.9599       9.451437  -16.53741      31.58396 
1 1 1 -1  6   6  o 263.6236 14.93705 14.47284       3.101622  15.72057       2.067217  -12.58925      33.44115 
1 1 1 -1  6   7  o 588.0408 12.02069 75.35051       4.424536  76.65717       4.346180  -5.136841      24.11383 
1 1 1 -1  6   8  o 321.2427 12.26297 22.99271       2.464753  22.49055       2.414421  3.521027       24.63114 
1 1 1 -1  6   9  o 202.8102 17.47909 5.849977       2.153864  12.63303       2.202064  -79.20877      38.57478 
1 1 1 -1  6   10 o 390.4315 12.32778 33.31227       3.001505  34.00203       2.962784  -4.120422      24.78048 
1 1 1 -1  6   11 o 238.8152 21.72779 0.000000       0.000000  12.85780       2.251141  ?              ?        
1 1 1 -1  6   12 o 91.08667 31.01924 2.662390       2.126715  0.8953966      2.070015  22.98171       51.16321 
1 1 1 -1  6   13 o 125.3189 27.77061 4.594039       2.183505  2.815170       2.029033  27.35482       50.70710 
1 1 1 -1  6   14 o 60.73193 27.04901 -1.849394      2.105192  0.6476100      2.013936  -19.19605      45.91774 
1 1 1 -1  6   15 o 67.02215 28.63553 -0.1483424E-01 2.198406  -0.9882983E-03 2.029001  2.972458       48.12631 
1 1 1 -1  6   16 o 349.4378 13.58875 28.06785       2.979822  25.92994       2.901602  13.90399       27.33303 
1 1 1 -1  6   17 o 198.0632 22.19816 9.112535       2.824937  8.599244       2.556093  5.059570       45.97204 
1 1 1 -1  6   18 o 323.0805 15.31087 22.36879       3.114823  23.84736       3.007543  -10.79065      30.95781 
1 1 1 -1  6   19 o 372.5752 13.64968 27.92530       3.152894  33.59720       3.145776  -35.05374      27.63078 
1 1 1 -1  6   20 o 268.8678 16.24562 15.81918       2.812497  16.53053       2.594428  -7.147491      33.24620 
1 1 1 -1  6   21 o 168.2607 23.80167 5.815655       2.447480  7.448515       2.383841  -23.19238      49.46793 
1 1 1 -1  6   22 o 270.4758 16.84493 15.87879       2.771596  17.45073       2.854731  -13.00488      34.56787 
1 1 1 -1  6   23 o 101.3645 39.40100 2.458172       2.512717  0.000000       0.000000  ?              ?        
1 1 1 -1  6   24 o 68.69209 29.80272 0.4651703      2.533081  0.1720931      2.205401  6.082443       49.08697 
1 1 1 -1  6   25 o 58.19160 27.13102 -0.2981018     2.596070  -1.372121      2.240528  10.88440       45.91175 
1 1 1 -1  6   26 o 70.91480 30.93650 -0.3330288     2.716608  1.195871       2.434577  -7.889824      50.03888 
1 1 1 -1  7   1  o 227.8843 19.55384 8.486258       3.115474  13.43411       2.470351  -53.86641      44.84655 
1 1 1 -1  7   2  o 946.0316 16.13165 195.6745       9.391215  198.1494       9.544130  -5.878113      32.31507 
1 1 1 -1  7   3  o 703.9116 13.43875 111.3907       5.889073  106.4637       5.847235  15.96655       26.94528 
1 1 1 -1  7   4  o 249.4898 15.14156 14.39703       2.269619  13.00839       2.400545  13.05090       30.74140 
1 1 1 -1  7   5  o 254.3465 14.39817 12.58175       2.214062  16.12318       2.314079  -31.89537      29.12642 
1 1 1 -1  7   6  o 237.1012 15.17925 12.69429       2.262804  12.17393       2.181090  4.926636       30.66435 
1 1 1 -1  7   7  o 486.9045 12.32565 48.04264       3.742231  56.21831       3.697784  -38.48935      24.82040 
1 1 1 -1  7   8  o 274.3842 17.06007 17.83799       2.602317  14.85951       3.298689  27.05064       36.66693 
1 1 1 -1  7   9  o 210.8411 17.04351 9.138683       2.283830  10.58377       2.143118  -16.51851      35.16305 
1 1 1 -1  7   10 o 486.6645 12.42806 50.73523       3.714609  53.94895       3.783982  -14.99765      24.96827 
1 1 1 -1  7   11 o 209.1980 25.31056 0.000000       0.000000  9.991820       2.275358  ?              ?        
1 1 1 -1  7   12 o 320.1259 14.34037 25.68887       2.975775  20.14339       2.722125  39.18985       28.90420 
1 1 1 -1  7   13 o 357.3073 13.33493 31.50032       3.132213  25.48593       2.797030  37.96353       26.79389 
1 1 1 -1  7   14 o 131.4505 28.46532 2.017433       2.373857  5.626136       2.150239  -50.40651      50.70643 
1 1 1 -1  7   15 o 112.2229 31.09235 1.830406       2.345465  3.825564       2.145838  -25.81267      53.00405 
1 1 1 -1  7   16 o 427.8757 13.06332 40.17668       3.579288  40.60952       3.357731  -2.669312      26.30762 
1 1 1 -1  7   17 o 319.7689 15.36656 22.26528       3.191873  22.94434       2.906490  -5.469849      31.17539 
1 1 1 -1  7   18 o 402.5776 14.45716 35.32823       3.599683  36.40521       3.609307  -6.123657      29.09887 
1 1 1 -1  7   19 o 575.9000 13.76570 78.07911       5.207095  69.73464       4.671739  31.84863       27.76403 
1 1 1 -1  7   20 o 211.1439 19.85989 8.412392       2.715397  11.53925       2.446816  -37.33200      42.99036 
1 1 1 -1  7   21 o 92.22709 32.32365 1.534983       2.345969  2.291983       2.227352  -7.605736      53.18953 
1 1 1 -1  7   22 o 202.7439 20.61453 10.14998       2.675576  9.085773       2.452200  10.29176       43.46126 
1 1 1 -1  7   23 o 120.1779 31.15530 5.359304       2.542843  2.606979       2.181699  35.94525       54.60605 
1 1 1 -1  7   24 o 74.78053 31.11293 1.514831       2.602649  0.4099997      2.214177  12.95630       50.91627 
1 1 1 -1  7   25 o 75.83561 31.32975 3.828162       2.657698  -0.8102550     2.196874  43.55392       51.41743 
1 1 1 -1  7   26 f 68.03756 30.02740 1.013030       2.688929  -0.1702718     2.312640  11.56521       49.15186 
1 1 1 -1  8   1  f 257.5761 21.34713 15.69703       3.114812  13.38406       3.727589  22.52953       45.27955 
1 1 1 -1  8   2  o 409.8279 13.83903 36.32050       3.506359  37.64432       3.520038  -7.383423      27.77668 
1 1 1 -1  8   3  o 1450.233 22.86283 454.2707       20.18685  476.2011       20.97079  -33.74011      45.90799 
1 1 1 -1  8   4  o 248.2017 16.66569 13.57886       2.439135  13.69084       2.679947  -0.6130371     33.85596 
1 1 1 -1  8   5  o 80.22191 31.39589 0.2839660      2.154694  1.599413       2.402865  -17.70281      52.17067 
1 1 1 -1  8   6  o 271.1544 15.18597 19.70485       2.621131  13.17085       2.473512  55.24722       31.00308 
1 1 1 -1  8   7  o 328.5805 13.82574 24.37784       2.867502  23.32302       2.759105  7.202545       27.81073 
1 1 1 -1  8   8  o 243.3625 17.45309 12.75049       2.828681  13.49787       2.447128  -8.249054      36.07619 
1 1 1 -1  8   9  o 114.3970 30.63579 5.193564       2.378812  1.457779       2.084845  53.39746       51.59291 
1 1 1 -1  8   10 o 238.8765 17.15098 13.74230       2.630320  11.88957       2.430535  17.30032       34.90801 
1 1 1 -1  8   11 o 162.5505 24.76204 5.332276       2.541227  6.675405       2.311262  -19.63518      50.48124 
1 1 1 -1  8   12 o 600.6632 13.35915 80.33825       5.121670  78.84647       4.845169  5.292847       26.86656 
1 1 1 -1  8   13 o 241.1425 18.46909 15.57948       2.896511  10.77379       2.609299  45.40042       37.73772 
1 1 1 -1  8   14 o 461.5998 13.25836 46.74382       3.877151  47.15062       3.713093  -2.211517      26.64054 
1 1 1 -1  8   15 o 93.28806 32.71714 0.9879789      2.415843  2.443797       2.271904  -15.14276      53.93180 
1 1 1 -1  8   16 o 384.5256 13.93866 30.52996       3.351852  34.74974       3.287633  -25.33337      28.14222 
1 1 1 -1  8   17 o 635.8856 14.00822 89.27273       5.633440  89.18994       5.423692  -0.2612305E-01 28.17278 
1 1 1 -1  8   18 o 94.18606 39.80303 0.4626844      2.827053  0.000000       0.000000  ?              ?        
1 1 1 -1  8   19 o 91.48379 33.61058 3.039398       2.791772  0.7039915      2.287717  30.45133       55.80611 
1 1 1 -1  8   20 o 324.3307 15.06324 22.98914       3.105150  23.99564       2.945712  -7.863739      30.61432 
1 1 1 -1  8   21 o 152.8271 27.96733 6.473640       2.744502  5.056159       2.397821  17.44659       55.18375 
1 1 1 -1  8   22 o 93.46158 33.52757 -2.000409      2.581812  5.490641       2.371780  -74.00757      49.59573 
1 1 1 -1  8   23 o 89.48755 32.80280 2.560448       2.567325  1.438512       2.230887  13.82858       53.68666 
1 1 1 -1  8   24 f 177.5247 24.59257 5.483710       2.735458  9.904880       2.545831  -61.19481      52.25229 
1 1 1 -1  8   25 o 107.9140 33.63174 3.028122       2.675222  3.644875       2.344261  -7.496376      55.88428 
1 1 1 -1  8   26 o 65.83943 29.29702 -0.6131390     2.592247  0.8359535      2.259320  -6.276459      47.57906 
1 1 1 -1  9   1  o 105.7297 35.13635 0.3304578      2.908634  3.946355       2.518114  -35.71378      56.90511 
1 1 1 -1  9   2  f 109.4436 33.82347 3.058193       2.661696  2.378974       2.412413  10.61367       57.26652 
1 1 1 -1  9   3  o 116.0140 34.92957 2.937949       2.726044  3.170714       2.712393  -2.711212      59.35053 
1 1 1 -1  9   4  o 80.85784 32.36540 -0.9675210     2.291170  3.082039       2.677199  -46.08132      53.54955 
1 1 1 -1  9   5  o 156.9451 27.17356 6.830063       2.405702  4.121193       2.723231  37.23468       53.34470 
1 1 1 -1  9   6  o 333.2223 16.11571 27.17704       3.153781  21.34452       3.518739  41.37000       33.44414 
1 1 1 -1  9   7  o 213.1192 19.68445 10.69814       2.542121  9.610125       2.604900  12.24364       40.55046 
1 1 1 -1  9   8  o 184.4935 22.24589 8.092367       2.527485  7.353147       2.462981  9.165009       46.04127 
1 1 1 -1  9   9  o 279.3242 16.93005 16.94836       3.082009  17.75225       2.780608  -7.657898      34.64285 
1 1 1 -1  9   10 o 225.0568 19.45432 11.01545       2.885253  11.65637       2.528561  -8.263367      40.56467 
1 1 1 -1  9   11 o 290.1086 16.96394 16.42245       3.166753  20.67766       2.926480  -34.84274      35.10210 
1 1 1 -1  9   12 o 451.9999 13.75946 48.73741       4.052572  42.05991       3.681066  33.21881       27.64315 
1 1 1 -1  9   13 f 492.1548 13.81269 56.05101       4.410923  51.16762       4.039108  22.22778       27.75042 
1 1 1 -1  9   14 o 742.3908 15.00260 114.7788       6.830186  128.6208       6.990610  -42.46252      30.14968 
1 1 1 -1  9   15 o 390.1750 15.24165 31.27831       3.769599  35.85416       3.600041  -27.30887      30.89269 
1 1 1 -1  9   16 o 407.9538 14.86660 39.14791       4.004433  35.00976       3.548524  22.32120       29.98717 
1 1 1 -1  9   17 o 589.3391 14.28917 78.09412       5.316387  75.37613       5.135934  10.26508       28.74013 
1 1 1 -1  9   18 o 83.27822 33.12899 2.731495       2.718886  -0.5188691     2.431951  35.16647       54.68640 
1 1 1 -1  9   19 o 311.0049 16.31672 22.15193       3.281527  21.14307       3.009773  6.487000       33.14441 
1 1 1 -1  9   20 o 150.0686 29.27570 3.491532       2.760085  7.041781       2.512172  -48.06860      54.95853 
1 1 1 -1  9   21 o 87.94661 33.31218 -0.1879861     2.626325  3.049676       2.382675  -29.22968      53.48624 
1 1 1 -1  9   22 o 203.8084 21.57836 9.811520       2.893957  9.760140       2.518403  -3.884430      46.37165 
1 1 1 -1  9   23 o 233.5519 19.70472 14.18863       3.036733  11.80270       2.657387  19.61687       41.61857 
1 1 1 -1  9   24 o 59.94739 27.74587 0.1713138      2.831370  -1.283370      2.174518  16.73375       47.35633 
1 1 1 -1  9   25 o 77.97633 31.81551 0.6342300      2.665879  1.801531       2.247907  -6.541733      50.91305 
1 1 1 -1  9   26 o 67.51795 29.70866 -1.458458      2.642022  1.805227       2.230384  -18.07753      47.72371 
1 1 1 -1  10  1  o 499.3105 21.10303 0.000000       0.000000  55.51069       4.611440  ?              ?        
1 1 1 -1  10  2  o 211.4874 27.58890 8.092249       4.193583  11.33299       3.110609  -39.25975      60.43222 
1 1 1 -1  10  3  o 386.2095 15.71522 32.80545       3.854542  33.17615       3.666677  -2.549713      31.69263 
1 1 1 -1  10  4  o 532.6802 15.24876 67.68729       4.983578  57.54118       5.084958  43.91272       30.81696 
1 1 1 -1  10  5  o 154.5442 30.93369 7.353224       2.699907  3.300804       3.057191  51.26616       57.23421 
1 1 1 -1  10  6  o 444.8661 15.18139 41.79814       3.933458  46.44663       4.487757  -22.78424      30.65558 
1 1 1 -1  10  7  o 132.7747 34.01971 6.076719       2.651098  1.778887       3.012041  50.57647       57.56166 
1 1 1 -1  10  8  o 216.4780 25.47665 6.394685       3.724068  13.66214       3.078732  -82.73366      56.88627 
1 1 1 -1  10  9  o 323.6940 16.06408 21.80603       3.216359  24.80997       3.214631  -21.44214      32.55500 
1 1 1 -1  10  10 o 190.7934 25.20570 5.869610       3.010335  10.47447       2.819560  -57.13026      52.98841 
1 1 1 -1  10  11 o 381.5439 15.24621 30.17518       3.620715  34.20098       3.581999  -24.33835      30.78493 
1 1 1 -1  10  12 o 721.8229 15.10476 111.4583       6.833187  118.2473       6.695583  -21.72339      30.38256 
1 1 1 -1  10  13 o 239.4355 20.16220 13.55016       3.213842  12.21072       2.769218  11.76900       41.36397 
1 1 1 -1  10  14 o 630.9323 14.76823 86.99058       5.904201  88.57915       5.663317  -6.108337      29.72128 
1 1 1 -1  10  15 o 370.4615 15.66877 29.36287       3.751358  31.27810       3.452484  -12.53613      31.79613 
1 1 1 -1  10  16 o 232.8721 21.83131 11.65421       3.372654  12.60176       2.911671  -11.52451      45.91013 
1 1 1 -1  10  17 o 415.1669 15.77291 36.42272       4.196809  39.73559       3.926139  -18.95190      31.97852 
1 1 1 -1  10  18 o 151.9240 32.26791 8.030348       3.177111  3.577927       2.760558  56.14454       58.89825 
1 1 1 -1  10  19 o 79.08740 33.06169 -1.734292      2.909048  2.198072       2.550194  -27.03312      54.01272 
1 1 1 -1  10  20 o 288.4108 18.32932 17.28738       3.308460  20.34376       3.217983  -25.43411      37.83922 
1 1 1 -1  10  21 o 163.1717 27.74357 6.553731       2.850993  6.477318       2.584123  -1.365631      56.16899 
1 1 1 -1  10  22 o 163.1591 28.07763 7.133477       2.891579  6.228496       2.608766  9.114838       56.90521 
1 1 1 -1  10  23 o 88.18728 33.46516 3.249462       2.617440  0.6606225      2.435182  25.79011       54.08619 
1 1 1 -1  10  24 o 73.06461 31.08371 -0.2370228     2.723477  1.478367       2.269768  -8.603989      50.11026 
1 1 1 -1  10  25 o 76.85678 32.27105 1.815483       2.830994  0.7312749      2.419623  10.63023       51.93644 
1 1 1 -1  10  26 o 118.7322 33.65277 3.748577       2.782788  4.785526       2.435009  -14.44108      57.02712 
1 1 1 -1  11  1  o 300.2828 32.02224 16.39086       6.939586  23.23512       5.183293  -64.81369      74.01234 
1 1 1 -1  11  2  o 216.9093 51.13012 0.000000       0.000000  11.76656       4.784705  ?              ?        
1 1 1 -1  11  3  o 116.4464 44.22079 3.684722       5.419787  1.926977       3.805521  26.55999       74.54439 
1 1 1 -1  11  4  o 135.1953 41.79109 -0.8857772     5.283561  6.232683       3.186450  -44.06419      67.78725 
1 1 1 -1  11  5  o 110.5987 37.75819 2.852931       2.914461  2.467894       3.347591  0.1887894      62.77713 
1 1 1 -1  11  6  o 117.8813 41.31283 2.362586       2.909343  6.139753       6.263626  -52.44610      75.87871 
1 1 1 -1  11  7  o 296.1849 21.07257 16.89820       3.585054  23.57027       4.174655  -49.74973      43.07081 
1 1 1 -1  11  8  o 104.8717 36.68770 3.354338       2.708347  0.9099359      3.248778  19.25987       60.05618 
1 1 1 -1  11  9  o 154.4112 32.66722 6.084350       2.902265  5.118770       3.179004  12.29002       61.21034 
1 1 1 -1  11  10 o 173.2953 29.56623 9.189225       3.167213  4.977119       2.970954  52.23489       57.67291 
1 1 1 -1  11  11 o 441.2497 15.64395 39.49376       4.288279  46.53135       4.262298  -36.68393      31.59473 
1 1 1 -1  11  12 o 266.0174 19.14021 15.91020       3.283171  15.58831       3.009341  2.136322       38.99346 
1 1 1 -1  11  13 o 258.5308 21.09652 14.98179       3.373313  14.86022       3.334823  0.9869385      43.05930 
1 1 1 -1  11  14 o 591.3909 15.01510 80.64254       5.762970  74.46733       5.276834  23.09637       30.20593 
1 1 1 -1  11  15 o 146.0925 33.55967 5.282909       3.275772  4.897257       2.747806  5.549698       61.72416 
1 1 1 -1  11  16 o 272.8392 21.05538 14.69181       3.804699  18.19150       3.317261  -32.07275      44.66092 
1 1 1 -1  11  17 o 166.8680 36.05936 5.867496       3.892063  7.231564       3.403751  -15.76065      67.20102 
1 1 1 -1  11  18 o 365.3981 17.36133 24.84481       3.928410  34.78229       3.919470  -63.19452      35.76540 
1 1 1 -1  11  19 o 207.8503 24.19413 8.656628       3.267038  11.03874       2.889930  -30.31631      52.06865 
1 1 1 -1  11  20 o 82.91531 34.21801 2.231442       3.097975  -0.1525033     2.657300  24.39549       56.69765 
1 1 1 -1  11  21 f 236.5345 21.78958 11.21360       3.359996  14.69594       2.994001  -40.38579      48.21485 
1 1 1 -1  11  22 o 129.4954 35.65480 2.871009       3.244188  5.782714       2.730849  -33.22091      60.30585 
1 1 1 -1  11  23 o 89.44173 35.24348 -0.8329958     3.121166  3.931392       2.680111  -35.11028      55.35414 
1 1 1 -1  11  24 o 83.48079 33.78735 -1.204716      2.941246  3.772941       2.534143  -35.70706      52.88203 
1 1 1 -1  11  25 o 81.26105 35.06207 0.2496765      2.909161  3.302747       3.658149  -21.05567      56.38692 
1 1 1 -1  11  26 o 108.1140 39.14156 3.035989       3.060664  6.067407       3.813920  -19.51340      62.00336 
1 1 1 -1  12  1  o 213.5538 47.74205 9.587157       6.628485  12.48227       5.787547  -26.16365      88.07244 
1 1 1 -1  12  2  o 257.2425 34.81803 18.26698       5.553195  12.91849       5.283845  47.34653       72.40198 
1 1 1 -1  12  3  o 149.5971 46.27919 5.840044       4.708574  5.000838       4.754025  7.227432       77.98458 
1 1 1 -1  12  4  o 94.01424 40.95206 1.403440       4.492421  -1.675568      4.464893  18.34715       68.43887 
1 1 1 -1  12  5  o 97.50960 38.81531 -0.2059740     3.203948  3.732531       3.956161  -40.04046      64.76556 
1 1 1 -1  12  6  o 85.88898 38.41776 1.612943       4.316952  -3.155911      4.089352  29.92848       65.19559 
1 1 1 -1  12  7  o 158.3548 43.62284 7.265161       4.431444  5.018035       4.411519  21.92151       75.39987 
1 1 1 -1  12  8  f 342.1027 27.95117 26.02405       5.416966  27.35491       6.486378  -4.498749      58.48736 
1 1 1 -1  12  9  o 165.2665 44.22013 7.697211       4.515525  5.350934       4.736817  22.04518       76.95612 
1 1 1 -1  12  10 o 276.0800 30.21014 10.61918       4.900360  25.15340       5.302076  -122.3884      65.06902 
1 1 1 -1  12  11 o 231.5975 30.72027 13.83363       5.446247  11.50227       3.670670  16.82570       66.16505 
1 1 1 -1  12  12 o 465.9001 16.55536 43.08989       4.881955  52.50621       4.678567  -46.88605      33.66157 
1 1 1 -1  12  13 o 328.8347 22.80256 27.41059       3.922544  16.86033       5.912463  86.47589       59.05338 
1 1 1 -1  12  14 o 376.0984 17.11153 31.34045       4.181804  31.46302       3.807801  -1.645416      34.70842 
1 1 1 -1  12  15 o 310.4497 18.92000 21.53838       3.695024  21.48217       3.561237  0.5371094E-02  38.42088 
1 1 1 -1  12  16 o 211.6104 28.13916 4.133719       3.660595  16.02904       3.546619  -126.6505      57.78470 
1 1 1 -1  12  17 o 50.59859 25.39870 -8.959282      3.784890  -5.587583      3.254005  -1.829445      46.79892 
1 1 1 -1  12  18 o 113.6109 38.85500 2.419898       3.652580  3.338944       3.020913  -4.307228      64.38473 
1 1 1 -1  12  19 o 237.1901 24.23338 14.35723       3.884441  12.15128       3.234999  16.79890       51.25958 
1 1 1 -1  12  20 o 131.3474 38.45368 3.239736       3.575292  5.539514       3.133466  -23.50220      64.78837 
1 1 1 -1  12  21 o 82.01991 34.21979 -0.6578138E-01 3.222355  1.716699       2.653390  -7.814308      55.50597 
1 1 1 -1  12  22 o 94.94308 35.92012 0.7427776      3.255792  3.195726       2.639563  -17.22946      57.44223 
1 1 1 -1  12  23 o 152.9157 32.82307 4.585906       3.315583  7.797571       2.792127  -43.50074      60.35025 
1 1 1 -1  12  24 o 130.4799 36.41053 7.472321       4.206867  4.439550       2.521360  15.12183       64.93711 
1 1 1 -1  12  25 o 71.43571 32.48253 -0.6894621     4.160424  0.7880073      2.634078  2.480904       52.38176 
1 1 1 -1  12  26 o 91.25088 36.37628 4.072294       4.126164  2.328564       2.583769  10.19859       57.70581 
1 1 1 -1  13  1  o 365.4978 28.85272 0.000000       0.000000  30.08960       4.588160  ?              ?        
1 1 1 -1  13  2  f 138.5565 44.18156 0.6915288E-01  4.794282  7.289329       3.902175  -56.35346      70.59901 
1 1 1 -1  13  3  o 111.3790 41.99434 -2.491495      4.738974  4.754499       3.464806  -41.08662      66.75011 
1 1 1 -1  13  4  o 128.4898 40.73997 2.855656       3.900702  4.528198       3.431251  -13.40166      68.18817 
1 1 1 -1  13  5  o 135.3578 42.87764 7.055440       4.825161  2.738324       3.540261  47.95282       73.07433 
1 1 1 -1  13  6  o 199.5948 42.59163 10.85954       4.878548  7.958121       5.384050  28.40515       79.37933 
1 1 1 -1  13  7  o 127.1475 48.08775 2.475959       4.151865  4.775495       7.888128  -42.69447      85.02876 
1 1 1 -1  13  8  o 168.2604 48.22787 7.359291       4.288005  4.972621       7.670168  4.238754       85.67902 
1 1 1 -1  13  9  o 369.5819 28.61030 26.96489       5.405024  40.75029       8.774247  -72.97336      61.09856 
1 1 1 -1  13  10 o 349.1912 29.17175 25.39009       5.378746  31.87224       7.796463  -34.87988      62.21545 
1 1 1 -1  13  11 o 184.9725 32.95684 11.72670       3.493193  3.399103       3.813600  91.83447       61.42239 
1 1 1 -1  13  12 o 317.2628 42.60137 0.000000       0.000000  23.58361       5.778796  ?              ?        
1 1 1 -1  13  13 o 483.3593 37.75402 54.04616       7.941048  0.000000       0.000000  ?              ?        
1 1 1 -1  13  14 o 90.09769 39.26614 -0.8419932     4.182003  0.3682174      4.064351  -5.984474      65.74246 
1 1 1 -1  13  15 o 133.5393 47.53880 5.139647       5.235545  2.848075       4.717536  21.13516       78.51450 
1 1 1 -1  13  16 o 104.7924 43.78007 -2.118353      4.890840  3.648956       4.622482  -33.19334      71.86808 
1 1 1 -1  13  17 o 98.17193 42.92748 6.001617       5.379141  -4.550374      4.628816  67.44090       72.57972 
1 1 1 -1  13  18 o 283.1729 33.85514 24.22584       6.401427  15.69419       5.387323  62.78577       72.12550 
1 1 1 -1  13  19 o 115.4461 44.85207 7.639465       4.942670  -0.6329116     4.324913  60.96463       72.46750 
1 1 1 -1  13  20 o 205.1190 40.41565 7.876658       5.249449  14.06208       4.712821  -63.71207      76.49556 
1 1 1 -1  13  21 o 96.47528 40.54341 1.931569       4.667464  1.811004       3.715854  5.638031       65.20602 
1 1 1 -1  13  22 o 96.61868 40.82476 -2.106624      4.519013  5.224587       3.948313  -37.70621      64.18576 
1 1 1 -1  13  23 o 56.46406 28.10299 -4.618710      4.401573  -5.133458      3.511764  9.576988       48.96949 
1 1 1 -1  13  24 o 72.96349 34.02746 -0.6564599     4.130359  -0.6904489E-01 3.501717  1.547577       54.90472 
1 1 1 -1  13  25 o 81.76987 36.61306 0.5349743      4.052051  2.391517       3.630452  -6.955811      56.76175 
1 1 1 -1  13  26 o 85.77157 38.05401 4.664200       4.422865  0.8810124      3.732073  16.37221       58.50510 
1 1 1 -1  14  1  o 83.18908 37.71551 -5.864046      4.981362  0.7951598      3.705847  -16.92672      64.00708 
1 1 1 -1  14  2  o 297.7084 26.45105 9.279985       5.054120  28.80689       4.640414  -161.4888      63.41850 
1 1 1 -1  14  3  o 161.6075 45.48782 7.510268       6.587994  5.698512       3.906280  26.66733       82.29388 
1 1 1 -1  14  4  o 105.4830 41.11323 -0.8762096     4.189430  3.564648       3.626020  -28.26806      66.94895 
1 1 1 -1  14  5  o 168.4094 38.47839 7.877799       4.295007  5.822029       3.647083  23.44012       70.62052 
1 1 1 -1  14  6  o 191.2824 31.56181 9.478219       3.594939  7.336556       3.634409  24.93816       62.86069 
1 1 1 -1  14  7  o 112.8792 39.69269 0.4338503      3.338379  5.082257       3.565995  -46.70090      64.61845 
1 1 1 -1  14  8  o 294.4740 23.04735 18.63428       3.788010  20.52475       4.715783  -12.31403      47.79197 
1 1 1 -1  14  9  o 419.0029 19.18278 38.80607       4.519149  39.14839       5.597515  0.2508545      39.61544 
1 1 1 -1  14  10 o 251.0656 26.22182 17.64069       3.654205  8.964890       4.534002  86.74524       60.57708 
1 1 1 -1  14  11 f 180.3598 37.41005 3.955408       3.549733  14.61870       4.840104  -111.0219      66.68328 
1 1 1 -1  14  12 o 141.2690 59.72834 0.000000       0.000000  1.842661       6.370859  ?              ?        
1 1 1 -1  14  13 o 244.3745 49.34835 14.77367       5.107280  0.000000       0.000000  ?              ?        
1 1 1 -1  14  14 o 125.5746 49.05774 4.271253       4.940050  0.1676643      6.401759  13.98230       80.17054 
1 1 1 -1  14  15 o 258.6526 35.67200 15.33966       5.716745  15.96040       5.436321  -7.173096      74.31238 
1 1 1 -1  14  16 o 103.4517 44.53764 2.858694       5.182594  -2.084838      5.164234  27.56546       73.80695 
1 1 1 -1  14  17 o 147.7458 47.75685 9.277343       5.157721  2.301157       4.835236  57.84325       77.91792 
1 1 1 -1  14  18 f 107.8103 45.22169 1.325360       5.289931  1.834430       4.928894  -0.2768173     73.66206 
1 1 1 -1  14  19 o 101.7583 44.38201 2.271789       5.344309  -0.2482861     5.207488  13.17870       72.16352 
1 1 1 -1  14  20 o 153.8122 49.89594 8.677548       5.588561  6.477969       5.307649  14.75134       81.45863 
1 1 1 -1  14  21 o 185.7268 48.18068 4.297803       5.497131  18.36828       5.703915  -106.6615      78.09751 
1 1 1 -1  14  22 o 110.6228 45.90709 0.4013875      5.657740  6.466898       4.795412  -27.61308      70.52383 
1 1 1 -1  14  23 o 83.25053 39.22262 -0.6766042     6.430660  0.4745265      4.534570  3.452461       62.13992 
1 1 1 -1  14  24 o 65.08956 32.07175 -4.427947      5.756152  -2.954957      3.950540  7.227478       53.40923 
1 1 1 -1  14  25 o 78.57185 36.82727 10.62376       5.968596  -3.032785      3.781052  47.63398       62.72449 
1 1 1 -1  14  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  15  1  o 461.8669 29.14634 0.000000       0.000000  47.86565       5.874646  ?              ?        
1 1 1 -1  15  2  o 294.5026 36.79595 0.000000       0.000000  19.86864       4.649817  ?              ?        
1 1 1 -1  15  3  o 419.6052 24.21758 35.03086       8.356080  40.90510       5.238414  -41.18509      57.85140 
1 1 1 -1  15  4  o 264.6102 27.92558 13.83800       4.862903  17.27420       4.232035  -33.16229      59.71943 
1 1 1 -1  15  5  o 150.1249 42.53093 2.166457       4.355515  7.876640       3.954103  -53.63593      70.63285 
1 1 1 -1  15  6  o 106.0127 40.38632 3.432660       3.831208  0.5420783      3.547168  27.62661       66.59993 
1 1 1 -1  15  7  f 168.2667 37.30356 9.112370       3.802409  4.242887       3.780634  54.16371       67.05451 
1 1 1 -1  15  8  o 481.1109 21.77201 53.01749       5.508530  48.14707       8.258642  30.34793       49.11248 
1 1 1 -1  15  9  o 117.6108 41.10341 4.841474       3.394960  0.1084302      4.084313  35.72102       66.38654 
1 1 1 -1  15  10 o 282.4881 25.48037 17.54178       3.782779  19.01632       5.536347  -5.060913      56.24403 
1 1 1 -1  15  11 o 125.3948 41.80030 4.694777       3.404645  1.645035       4.405707  19.99081       68.97085 
1 1 1 -1  15  12 o 176.1099 53.66270 0.000000       0.000000  7.776750       4.519300  ?              ?        
1 1 1 -1  15  13 o 97.07021 41.00926 0.9585186      3.601818  -0.4217588     5.417967  -11.34702      69.46343 
1 1 1 -1  15  14 o 420.2888 20.89855 37.11144       5.230068  42.34715       5.658047  -27.42163      42.38346 
1 1 1 -1  15  15 f 146.4245 53.47787 4.875052       4.469426  0.000000       0.000000  ?              ?        
1 1 1 -1  15  16 o 159.0776 40.64887 4.391993       3.825122  8.760439       4.261244  -45.42987      71.25491 
1 1 1 -1  15  17 o 164.8150 37.09786 5.964441       3.686784  7.681451       3.715451  -19.25345      68.42684 
1 1 1 -1  15  18 o 97.25282 38.59992 1.899142       3.617641  1.678680       3.343346  3.930405       62.91221 
1 1 1 -1  15  19 o 82.65742 36.22980 -0.8739386     3.606457  1.399531       3.501991  -12.70828      59.43970 
1 1 1 -1  15  20 o 159.8121 38.87514 5.688703       4.090137  8.577938       3.591257  -33.47472      69.10798 
1 1 1 -1  15  21 o 92.08990 38.44381 -2.059084      3.833410  5.080141       3.506843  -43.01166      60.63699 
1 1 1 -1  15  22 o 81.87327 35.93876 2.062478       3.845165  0.3599773      3.246007  12.49580       57.71055 
1 1 1 -1  15  23 o 105.2802 39.48678 2.768775       3.816194  4.714730       3.230919  -14.50978      61.22282 
1 1 1 -1  15  24 o 77.68220 34.67894 3.718689       3.830021  -0.4221774     3.093504  23.09468       55.52120 
1 1 1 -1  15  25 o 64.13641 30.41572 -0.4410959     3.661404  -0.4937962     2.951156  4.325829       48.90357 
1 1 1 -1  16  1  o 94.23493 42.06511 -0.6686881     6.311917  -1.306623      4.275987  26.01570       73.31445 
1 1 1 -1  16  2  o 198.9745 42.92292 4.120530       5.692143  13.12862       4.725793  -81.32448      76.10603 
1 1 1 -1  16  3  o 278.0294 35.13190 10.42874       7.976319  20.59405       4.922414  -91.15276      81.56008 
1 1 1 -1  16  4  o 288.2135 41.53550 0.000000       0.000000  19.43691       5.099536  ?              ?        
1 1 1 -1  16  5  o 303.9435 26.17205 22.34699       5.146159  19.54072       4.662610  19.95026       53.79781 
1 1 1 -1  16  6  o 96.91593 40.78283 1.991651       4.312037  -0.8180170     4.038701  22.08851       68.01917 
1 1 1 -1  16  7  f 342.7810 22.27380 26.25795       4.696388  26.30377       4.724790  -0.2260742     45.29569 
1 1 1 -1  16  8  o 145.3823 42.06136 7.627183       3.904268  2.161992       4.121411  52.77901       69.65369 
1 1 1 -1  16  9  o 294.2770 25.57324 20.83841       4.445846  18.12608       4.820877  23.45840       53.51563 
1 1 1 -1  16  10 o 151.1645 42.37966 9.054838       3.920317  1.144928       4.385039  73.32256       68.43919 
1 1 1 -1  16  11 o 136.1643 42.61997 4.105228       3.515418  4.941251       4.761929  -14.28726      72.87551 
1 1 1 -1  16  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  16  13 o 256.0791 30.99565 18.58679       4.454585  10.27707       5.302739  81.48158       68.35013 
1 1 1 -1  16  14 o 211.7121 54.48277 11.66532       5.088850  0.000000       0.000000  ?              ?        
1 1 1 -1  16  15 o 321.3071 35.17840 24.60172       4.876955  0.000000       0.000000  ?              ?        
1 1 1 -1  16  16 o 138.3148 42.35096 6.485233       3.707580  2.740812       4.308831  32.98153       70.07693 
1 1 1 -1  16  17 o 195.7183 35.89970 9.646132       3.989437  9.681147       4.442986  3.333237       71.53640 
1 1 1 -1  16  18 f 90.17398 38.33534 0.9393322      3.618226  1.017444       3.888337  -2.760468      62.50515 
1 1 1 -1  16  19 o 114.4967 40.81915 3.750011       3.631285  3.609800       3.680175  1.060318       65.98632 
1 1 1 -1  16  20 o 100.6141 39.88825 1.461805       3.774354  3.854450       3.637511  -15.89790      63.24095 
1 1 1 -1  16  21 o 71.19218 33.14610 0.2059275      3.710394  -1.475150      3.427427  9.826736       54.53186 
1 1 1 -1  16  22 o 128.4350 40.43519 3.878711       3.855776  7.023993       3.380821  -29.50195      64.85114 
1 1 1 -1  16  23 o 162.5932 38.27895 7.385440       4.044458  9.824303       3.589001  -31.36028      68.60697 
1 1 1 -1  16  24 o 74.97880 34.44026 -1.383921      3.918947  2.948464       3.441833  -15.67336      53.45257 
1 1 1 -1  16  25 o 82.96016 38.02460 0.000000       0.000000  2.653194       3.129427  ?              ?        
1 1 1 -1  17  1  o 136.9818 51.61314 8.091227       7.314466  1.297005       5.172882  59.48242       87.24928 
1 1 1 -1  17  2  f 112.8881 47.17368 -7.628919      6.211467  6.627237       5.014751  -66.82444      74.92564 
1 1 1 -1  17  3  o 310.6785 33.70671 21.30868       8.818409  22.51653       5.263816  -26.66852      81.32491 
1 1 1 -1  17  4  o 109.8194 45.37956 0.4033159      5.740452  1.661771       4.524782  4.171364       75.46507 
1 1 1 -1  17  5  o 100.7077 43.26199 -1.493865      5.502316  1.249362       4.401995  -3.776543      72.16830 
1 1 1 -1  17  6  f 112.2929 43.64593 0.8798741      4.466826  3.190503       4.260900  -15.18950      71.61228 
1 1 1 -1  17  7  o 83.26521 37.18875 0.9985244      3.886120  -2.814016      3.952058  21.62786       62.87379 
1 1 1 -1  17  8  o 116.4875 48.03723 1.523170       3.971139  0.000000       0.000000  ?              ?        
1 1 1 -1  17  9  o 61.72917 30.46825 -8.303536      4.052769  -3.816725      4.406819  -19.90625      55.84306 
1 1 1 -1  17  10 o 205.4820 39.09949 8.609045       4.584647  11.89230       5.052990  -31.97026      75.61346 
1 1 1 -1  17  11 o 112.5250 44.43323 2.627160       4.104669  0.9278905      5.269194  0.9377975      73.34774 
1 1 1 -1  17  12 o 94.94590 42.99899 -2.985628      5.926193  -0.4161200     5.068995  -2.849159      72.63435 
1 1 1 -1  17  13 o 57.03537 28.96187 -9.478488      5.394645  -17.45858      5.352819  15.69927       54.49889 
1 1 1 -1  17  14 o 271.6991 30.55499 19.39609       4.648839  14.35961       5.605559  52.57637       68.09778 
1 1 1 -1  17  15 o 211.3503 37.94500 13.24429       4.406814  8.073714       5.299720  56.32375       74.62862 
1 1 1 -1  17  16 o 89.41238 39.49104 -2.247682      3.840757  3.870245       4.966501  -44.23257      67.35424 
1 1 1 -1  17  17 o 107.8649 41.43934 3.273650       3.535631  1.904786       4.398185  5.240799       66.96889 
1 1 1 -1  17  18 o 94.49084 39.93570 -0.4314034     3.744330  4.171082       4.381025  -31.86890      65.19205 
1 1 1 -1  17  19 o 103.5288 41.08342 0.2256387      3.804741  6.146101       4.074979  -40.17331      65.16704 
1 1 1 -1  17  20 o 107.8575 41.35155 4.172671       3.807349  2.892547       3.946664  8.632515       65.23232 
1 1 1 -1  17  21 o 91.94334 39.35582 2.293451       3.932879  2.278537       4.062895  -0.2567825     61.35612 
1 1 1 -1  17  22 o 84.59682 37.58900 1.544944       3.909125  2.202879       3.993320  -3.130875      58.12133 
1 1 1 -1  17  23 o 78.11341 35.23912 0.9482106      3.756319  1.581136       3.492718  -1.959663      54.79832 
1 1 1 -1  17  24 o 64.95787 31.00454 -1.017221      3.816636  0.9990772E-01  3.232064  -0.9616394     49.09600 
1 1 1 -1  17  25 o 62.00202 30.33364 0.7137706      5.507898  -1.773734      3.180259  13.20332       49.22259 
1 1 1 -1  18  1  o 120.1172 56.90751 -7.211260      8.005097  0.000000       0.000000  ?              ?        
1 1 1 -1  18  2  o 67.39281 33.87523 -18.03638      7.271325  -9.757186      5.659331  0.4047623      62.38476 
1 1 1 -1  18  3  o 98.53934 45.32737 -1.607252      9.376440  -3.064923      5.131954  45.37469       83.12832 
1 1 1 -1  18  4  o 121.9808 49.08998 2.202162       6.241657  1.936937       5.271506  9.835281       81.23443 
1 1 1 -1  18  5  o 114.4611 47.81480 -3.519966      6.310793  4.224440       5.185835  -32.22783      78.03675 
1 1 1 -1  18  6  o 199.0808 63.57748 10.07847       6.265048  0.000000       0.000000  ?              ?        
1 1 1 -1  18  7  o 158.9563 45.45787 5.090209       4.657543  7.227802       4.759612  -20.19037      77.90598 
1 1 1 -1  18  8  o 186.0179 41.48180 9.324597       4.542581  7.303802       4.797025  20.55875       76.44865 
1 1 1 -1  18  9  f 78.54324 36.59241 -2.536853      4.536520  -2.430236      4.185751  4.004013       63.09924 
1 1 1 -1  18  10 o 165.3394 49.84200 13.07157       5.433930  0.8976898E-01  5.640110  101.6770       77.49886 
1 1 1 -1  18  11 o 57.04594 28.70923 -6.507114      4.494346  -12.95753      4.733407  12.63737       53.12020 
1 1 1 -1  18  12 o 147.8602 49.68816 6.032439       6.483623  5.169522       4.700615  12.66643       83.40553 
1 1 1 -1  18  13 o 144.1712 45.57365 4.277439       4.111640  6.991743       5.203732  -26.06819      77.10386 
1 1 1 -1  18  14 o 192.7991 41.77967 10.09288       4.304261  8.738246       5.682078  19.36845       78.90775 
1 1 1 -1  18  15 o 115.8037 44.09734 6.687072       4.032755  -1.985693      4.855702  54.53140       68.65417 
1 1 1 -1  18  16 o 66.86650 32.49174 -5.021089      3.773668  -2.219757      4.998373  -22.56089      57.80937 
1 1 1 -1  18  17 o 100.7105 42.38257 3.168179       4.051435  0.2458383E-01  5.148377  11.08184       67.62051 
1 1 1 -1  18  18 o 91.99235 39.44482 0.2806841      3.601594  3.898076       4.651057  -24.70895      64.11092 
1 1 1 -1  18  19 o 93.54956 40.54900 5.061553       4.069728  -2.423151      4.687752  34.27141       63.69884 
1 1 1 -1  18  20 o 111.5311 42.94564 3.871228       3.979377  5.023236       4.443259  -6.477348      66.79100 
1 1 1 -1  18  21 o 96.21346 40.30818 0.6349133      3.881630  6.302244       4.229235  -29.82460      62.42530 
1 1 1 -1  18  22 o 85.17487 37.98155 1.994960       3.964808  2.524106       4.185397  -2.484787      57.98536 
1 1 1 -1  18  23 o 87.78640 38.54068 0.3721935      3.949608  6.302677       4.127414  -24.77625      58.19548 
1 1 1 -1  18  24 o 76.90212 35.30878 0.7565180      3.869691  3.125391       3.807987  -8.442612      53.26120 
1 1 1 -1  19  1  o 137.9778 52.60183 0.5064098      7.365427  5.914038       5.520769  -20.48547      85.20037 
1 1 1 -1  19  2  o 112.3855 48.41642 1.379823       7.062377  0.4273109E-01  5.478328  19.71935       81.16835 
1 1 1 -1  19  3  o 114.6489 49.73664 3.223999       9.638269  -0.5058146     5.281354  48.49008       88.41019 
1 1 1 -1  19  4  o 208.8752 48.99588 12.31022       6.913550  10.04690       5.728341  17.30232       90.04932 
1 1 1 -1  19  5  o 106.9097 46.73200 1.060130       6.627782  -0.8089148     5.332960  20.88977       78.70029 
1 1 1 -1  19  6  o 234.1456 44.78417 9.016519       6.603776  17.12762       5.978286  -72.17613      85.04999 
1 1 1 -1  19  7  o 101.5247 44.10634 3.561910       5.590400  -2.512447      4.826003  40.92080       74.30487 
1 1 1 -1  19  8  o 111.0224 44.58670 3.789999       4.553870  -0.2931466     4.834816  24.71922       72.72594 
1 1 1 -1  19  9  o 120.1473 45.84590 4.457828       4.796949  1.368183       4.701341  22.78642       74.82509 
1 1 1 -1  19  10 o 142.3076 45.84568 6.253300       4.624656  3.909387       4.575448  20.27194       76.21982 
1 1 1 -1  19  11 o 108.0450 43.95763 -0.1384737     4.495088  3.995066       4.763380  -29.04955      71.90062 
1 1 1 -1  19  12 o 83.27527 38.64649 -3.242083      4.321334  0.2939918E-01  5.424090  -25.53523      66.71671 
1 1 1 -1  19  13 o 107.9592 43.46151 0.5844471      4.186979  4.306623       4.809289  -28.70293      71.04824 
1 1 1 -1  19  14 o 85.24716 38.76859 1.856486       3.986749  -5.182539      5.235088  19.97095       63.86010 
1 1 1 -1  19  15 o 76.65886 36.14656 -3.088601      4.048927  -0.5399783     5.050344  -19.33598      61.80008 
1 1 1 -1  19  16 f 94.09144 41.65977 -0.6906819     4.095951  4.421039       6.104240  -33.84969      69.96413 
1 1 1 -1  19  17 f 68.18547 33.10804 -3.459459      3.872838  -2.630514      5.226235  -13.30844      56.54700 
1 1 1 -1  19  18 o 143.6751 49.99553 3.022977       5.642200  11.99142       5.293018  -55.36551      76.83430 
1 1 1 -1  19  19 o 76.34013 35.54517 -1.134968      3.730899  1.092998       4.593546  -13.59822      57.84329 
1 1 1 -1  19  20 o 95.12300 41.15689 5.202810       4.303051  0.5766791      4.638175  20.20716       62.83226 
1 1 1 -1  19  21 o 101.0965 41.77242 3.892632       3.923383  5.191921       4.695929  -4.269958      62.59003 
1 1 1 -1  19  22 o 70.82841 33.79738 -1.073692      3.835510  1.412557       4.528065  -9.829857      53.27219 
1 1 1 -1  19  23 o 69.07240 33.31534 -0.8013303     4.027755  1.479405       4.565825  -7.143135      51.47596 
1 1 1 -1  19  24 o 86.45562 38.78601 8.581724       4.137680  -0.8861412     4.514826  32.45493       56.77974 
1 1 1 -1  20  1  o 117.8127 49.60811 3.847153       7.706194  0.8822176      5.298223  29.42483       83.14703 
1 1 1 -1  20  2  o 165.7352 53.41113 -3.782954      6.861976  15.22844       5.765906  -121.1904      77.95827 
1 1 1 -1  20  3  o 143.9724 55.29971 2.582571       11.79202  5.254323       5.395890  13.81409       94.25230 
1 1 1 -1  20  4  o 179.2263 52.92371 9.280433       7.041803  8.148259       5.736442  8.597778       90.53152 
1 1 1 -1  20  5  o 122.3505 50.00221 8.282255       6.721502  -1.447255      5.492773  63.09157       82.67628 
1 1 1 -1  20  6  o 99.61269 44.81007 4.494689       6.657612  -4.092776      5.208830  51.95700       77.29626 
1 1 1 -1  20  7  o 129.0646 50.24736 0.3147865      6.114715  6.112824       5.505836  -31.48071      80.76362 
1 1 1 -1  20  8  o 122.1580 46.56620 0.2100391      4.806111  6.481293       4.990398  -44.73357      75.19573 
1 1 1 -1  20  9  o 141.3472 47.47717 5.194044       4.823905  5.138885       5.008816  -0.1081390     78.29660 
1 1 1 -1  20  10 o 79.72106 38.02291 -0.2297330     4.499121  -10.65376      6.477515  14.49350       64.82570 
1 1 1 -1  20  11 o 99.90622 42.41481 -0.1340265     4.475575  2.583189       4.681274  -17.39687      69.32420 
1 1 1 -1  20  12 o 129.3086 48.83125 2.071695       4.509013  10.00621       6.965818  -54.59736      82.20366 
1 1 1 -1  20  13 o 134.3880 45.16163 2.430728       4.223481  8.446630       4.708099  -48.71664      73.37905 
1 1 1 -1  20  14 f 129.8277 45.31280 4.280142       4.293711  5.707776       4.707398  -10.93159      73.45332 
1 1 1 -1  20  15 o 74.20814 35.32826 -2.090008      4.149140  -2.224926      4.875806  -5.484337      59.11720 
1 1 1 -1  20  16 o 91.47890 40.54168 0.9570390      4.191612  1.993968       5.062715  -8.352898      64.59203 
1 1 1 -1  20  17 f 121.3392 46.13084 4.590689       4.423359  6.108189       5.283486  -7.463081      72.02561 
1 1 1 -1  20  18 o 110.6728 45.02854 1.717227       4.343049  9.219735       5.594484  -36.07549      70.65694 
1 1 1 -1  20  19 o 80.60996 36.92915 0.1842782      3.753278  2.250898       4.758103  -11.33567      58.38321 
1 1 1 -1  20  20 o 87.63393 38.90569 4.880297       3.798951  -0.8478639     4.831137  21.26620       58.66114 
1 1 1 -1  20  21 o 77.72673 36.37331 0.3540983      4.023416  2.534989       4.844132  -8.378143      56.01524 
1 1 1 -1  20  22 o 89.83885 42.93831 0.000000       0.000000  6.074107       4.764602  ?              ?        
1 1 1 -1  20  23 o 70.38636 33.79946 0.9211127      4.016191  1.421957       4.615014  -1.976830      50.86856 
1 1 1 -1  21  1  o 95.27336 45.31217 -13.51405      9.028822  1.208165       6.310676  -20.27045      75.44308 
1 1 1 -1  21  2  o 103.2253 46.16120 11.91398       7.304837  -6.168843      5.288051  98.27820       80.86696 
1 1 1 -1  21  3  o 109.2152 49.37696 -10.58420      11.56605  2.274131       5.618632  -2.348251      81.71432 
1 1 1 -1  21  4  o 145.6292 54.59281 6.611188       7.576865  5.195985       6.017434  11.40277       88.34254 
1 1 1 -1  21  5  o 140.1385 52.90864 2.210366       7.030379  7.112846       5.733249  -23.86717      84.29672 
1 1 1 -1  21  6  o 111.4947 47.70551 10.47720       6.805959  -3.632681      5.234042  82.53783       80.24013 
1 1 1 -1  21  7  o 114.7393 48.38017 1.880859       6.460557  2.331432       5.440619  3.402039       78.31172 
1 1 1 -1  21  8  o 125.2821 48.78088 3.146589       5.619406  4.412687       5.302572  -6.377869      78.35062 
1 1 1 -1  21  9  o 104.6243 44.29152 2.331367       5.065817  0.9690922      4.869782  8.694756       71.76528 
1 1 1 -1  21  10 o 99.11378 42.43238 -0.4332791     4.609978  3.008600       4.684906  -19.47285      68.87927 
1 1 1 -1  21  11 o 87.03942 39.57880 -4.416062      4.600659  3.732029       4.749203  -39.14879      65.96394 
1 1 1 -1  21  12 o 82.39346 38.19767 -2.015916      4.620861  -0.1537293     4.681979  -8.188446      63.20099 
1 1 1 -1  21  13 o 83.22614 39.30281 -0.4556182     4.335367  -5.261038      7.559925  -6.004364      65.47234 
1 1 1 -1  21  14 o 108.4467 44.32462 3.684404       4.445724  3.160354       5.069870  1.677597       69.38548 
1 1 1 -1  21  15 o 73.45824 35.22396 -1.494644      4.188669  -2.889568      5.207738  -2.540375      58.13838 
1 1 1 -1  21  16 o 87.42661 39.48532 2.534083       4.438521  -0.6724260     4.684652  12.28075       62.50415 
1 1 1 -1  21  17 o 77.91998 36.65051 2.563665       4.407862  -3.439592      4.690262  19.13374       58.75118 
1 1 1 -1  21  18 o 62.11303 30.87289 -6.149643      4.308564  -1.592554      5.015356  -14.27818      51.94035 
1 1 1 -1  21  19 o 83.80766 38.57032 5.502450       4.368851  -2.159106      4.915162  24.44028       58.83157 
1 1 1 -1  21  20 o 77.05631 36.27461 -0.6358247     3.832584  4.997316       5.574441  -18.65955      56.99981 
1 1 1 -1  21  21 o 72.16412 34.46120 1.754878       3.913050  -0.2146114E-01 4.889270  2.990677       52.15413 
1 1 1 -1  21  22 o 68.60924 33.27020 0.6406327      4.034361  0.6089954      4.902829  -1.308266      50.38899 
1 1 1 -1  21  23 o 70.46625 36.50510 0.000000       0.000000  -1.573899      10.91708  ?              ?        
1 1 1 -1  22  1  o 112.9281 55.17905 -0.7253951     12.21835  -10.73997      13.40236  11.43516       88.59148 
1 1 1 -1  22  2  o 122.4497 53.10709 -2.587454      14.18065  4.347338       5.686324  3.148224       85.81595 
1 1 1 -1  22  3  o 115.5816 55.26998 0.000000       0.000000  -1.356473      7.915766  ?              ?        
1 1 1 -1  22  4  o 97.94830 46.82872 0.4926656      10.48755  -4.433204      6.750893  27.97610       79.34885 
1 1 1 -1  22  5  o 178.9241 62.75659 3.857469       10.14195  16.11561       7.614874  -60.87000      95.48381 
1 1 1 -1  22  6  o 140.3549 52.93620 3.990033       7.096098  7.393756       5.702754  -17.16708      83.35719 
1 1 1 -1  22  7  o 98.67170 44.90562 2.078770       6.526339  -1.447083      5.634295  18.25562       73.41387 
1 1 1 -1  22  8  o 112.7030 46.47568 4.008087       5.273424  1.991927       5.240165  10.88544       73.91908 
1 1 1 -1  22  9  o 81.69828 38.53174 -4.621984      4.988216  1.117185       5.181235  -22.20084      64.46865 
1 1 1 -1  22  10 o 89.76610 40.95222 2.684110       4.966187  -2.788026      5.148962  21.13397       66.43751 
1 1 1 -1  22  11 o 90.63538 40.64005 1.811818       4.487628  -0.4956214     5.015207  7.206169       65.04406 
1 1 1 -1  22  12 o 123.7647 47.18353 6.501937       4.868247  3.800034       5.201593  15.91860       73.42690 
1 1 1 -1  22  13 o 77.74652 36.97818 -3.162207      4.440969  0.9236429      5.461441  -19.52663      61.47046 
1 1 1 -1  22  14 o 87.54906 39.61746 3.259682       4.448627  -1.846999      4.798159  19.51833       62.92984 
1 1 1 -1  22  15 o 84.90700 38.91254 -0.3929479     4.351874  2.353593       4.976821  -12.90696      61.82404 
1 1 1 -1  22  16 o 93.42583 41.17699 3.273634       4.350742  1.890622       5.016465  4.699699       63.02640 
1 1 1 -1  22  17 o 66.07282 32.31768 0.8137852      4.221818  -5.891706      4.633767  15.02383       52.72134 
1 1 1 -1  22  18 o 78.49871 38.62933 0.1206796E-01  4.675274  0.000000       0.000000  ?              ?        
1 1 1 -1  22  19 o 93.24966 41.31509 4.163735       4.570323  4.260696       4.927056  0.2175446      60.49007 
1 1 1 -1  22  20 o 72.22593 35.04581 3.272560       4.766889  -1.694827      5.063204  10.13223       52.90847 
1 1 1 -1  22  21 o 50.58565 25.68214 -2.597427      3.963563  -9.653543      4.514452  7.525330       42.48593 
1 1 1 -1  22  22 o 65.53259 32.52774 -3.244100      4.311766  8.241459       6.419454  -18.13758      50.25243 
1 1 1 -1  23  1  o 102.3002 46.05910 -1.521479      7.044089  3.012650       5.520258  -9.853348      73.00496 
1 1 1 -1  23  2  o 103.2311 48.36189 14.12145       14.43116  -2.538108      5.945176  50.51926       85.94877 
1 1 1 -1  23  3  o 99.47735 49.30265 4.881953       12.65891  -16.12155      10.55485  35.16187       82.44814 
1 1 1 -1  23  4  o 111.5764 54.14230 2.111585       12.87162  -4.859248      10.82868  15.07639       85.61738 
1 1 1 -1  23  5  o 111.0917 53.81675 -6.190809      11.95369  2.285984       11.01011  -11.40710      84.42163 
1 1 1 -1  23  6  o 113.4340 49.45924 1.485346       7.257760  4.191751       6.009669  -7.045647      77.24061 
1 1 1 -1  23  7  o 125.5699 55.07224 7.098773       9.246458  3.905218       7.475255  10.84899       84.53056 
1 1 1 -1  23  8  o 113.3538 49.75500 1.026930       6.564666  6.010382       6.892368  -18.73097      77.46281 
1 1 1 -1  23  9  o 134.2797 55.26361 2.705928       7.257511  11.91586       7.579295  -35.32369      84.19213 
1 1 1 -1  23  10 o 98.62405 45.51880 -0.1666274     6.237442  2.546527       6.792308  -9.994301      71.73181 
1 1 1 -1  23  11 o 73.49782 35.72293 -3.224774      5.307298  -3.151524      5.018950  1.689331       59.22237 
1 1 1 -1  23  12 o 82.52193 38.50044 0.4727697E-01  4.704799  -0.4592037     4.995094  0.3187561      61.65472 
1 1 1 -1  23  13 o 98.17784 42.52866 1.597412       4.524911  4.500996       5.071329  -13.61561      65.93597 
1 1 1 -1  23  14 o 85.92422 40.16079 -0.5713375     4.331316  5.635459       7.528465  -22.82085      64.96998 
1 1 1 -1  23  15 o 86.55174 41.91004 0.000000       0.000000  0.8174199      4.897383  ?              ?        
1 1 1 -1  23  16 o 69.45792 34.36300 -2.581033      4.442569  -2.397243      7.911798  -10.56007      55.47964 
1 1 1 -1  23  17 o 74.83746 35.74947 1.092266       4.467097  0.3393028E-01  4.874842  1.872711       54.88313 
1 1 1 -1  23  18 o 81.69166 38.20010 4.967109       4.598915  -0.7172750     5.059564  15.55909       57.17618 
1 1 1 -1  23  19 o 64.93758 32.18049 -0.1494752     4.757772  -2.069695      5.010166  2.814781       49.58265 
1 1 1 -1  23  20 o 58.71351 29.52759 -2.022404      4.742839  -4.079332      4.923403  2.504780       46.40965 
1 1 1 -1  23  21 o 56.25281 28.24378 -3.034365      4.094498  -1.451358      4.606986  -4.000950      44.23566 
1 1 1 -1  24  1  o 88.65844 42.91571 -17.93420      12.11775  1.133015       5.654758  -6.549095      68.78263 
1 1 1 -1  24  2  o 97.47070 46.12842 -3.678150      12.19546  1.183393       5.793073  6.106277       73.35832 
1 1 1 -1  24  3  o 103.4176 47.47806 4.230028       7.996664  0.6761123      6.212095  13.83176       74.39324 
1 1 1 -1  24  4  o 77.96604 38.55323 -11.03892      8.078036  -2.487370      6.073291  -5.441895      63.71810 
1 1 1 -1  24  5  o 115.3586 50.90339 0.1227968      8.015387  7.297672       6.474934  -21.18405      77.14288 
1 1 1 -1  24  6  o 90.48579 43.15877 0.2252302      7.733017  -1.502338      6.043511  10.06209       69.08221 
1 1 1 -1  24  7  o 122.4787 56.90568 4.036263       10.35281  10.04313       10.46693  -11.16032      83.42632 
1 1 1 -1  24  8  o 86.18005 43.08823 -3.526720      10.11700  -9.137863      9.124193  9.655724       69.21384 
1 1 1 -1  24  9  o 118.3028 54.90596 4.701249       9.775131  8.905965       9.530373  -8.206688      80.06734 
1 1 1 -1  24  10 o 107.6765 51.25722 6.070467       9.449630  2.814410       9.357046  5.578491       75.72677 
1 1 1 -1  24  11 o 77.21757 38.22691 -6.070196      5.595112  2.506888       9.510244  -24.81357      64.04651 
1 1 1 -1  24  12 o 71.58096 35.25940 -3.555274      4.779356  -2.266387      6.888062  -11.28958      57.75152 
1 1 1 -1  24  13 o 80.78439 39.35752 1.009725       6.441238  -1.951724      6.285897  6.096947       60.95667 
1 1 1 -1  24  14 o 98.90608 47.82590 6.645807       6.322071  0.000000       0.000000  ?              ?        
1 1 1 -1  24  15 o 78.45364 38.36873 3.850706       5.964615  -3.762201      6.500413  12.67202       58.45348 
1 1 1 -1  24  16 o 68.37584 33.93536 0.3959040      5.905522  -4.204868      5.174237  10.03666       53.63633 
1 1 1 -1  24  17 o 75.06783 36.51059 0.2524480      6.041958  2.009961       4.944650  -2.280167      54.46322 
1 1 1 -1  24  18 o 64.74627 32.39457 -1.992485      4.826219  -0.7443117     6.433386  -4.588264      49.79282 
1 1 1 -1  24  19 o 61.87677 31.05690 -2.504245      4.856944  -0.8345316     5.656014  -3.833542      47.73153 
1 1 1 -1  24  20 o 67.78119 34.34116 8.102015       6.960575  -6.903045      7.636282  11.97771       50.26060 
1 1 1 -1  25  1  o 113.4151 51.58200 0.2611106      13.08048  6.659391       6.218133  -10.93302      76.17191 
1 1 1 -1  25  2  o 86.62934 42.33975 -2.373632      12.36404  -2.327571      5.901850  15.19283       68.88755 
1 1 1 -1  25  3  o 90.31939 43.81359 -6.029142      8.037226  2.684707       7.328221  -14.86331      69.02138 
1 1 1 -1  25  4  o 87.21646 42.22363 6.241138       8.360999  -5.373245      6.170367  30.09106       69.14671 
1 1 1 -1  25  5  o 83.59473 40.82576 -7.562048      8.143598  1.121509       6.183906  -9.707718      64.56863 
1 1 1 -1  25  6  o 95.04570 44.82901 1.324757       8.123357  2.144941       6.075185  1.123520       68.46556 
1 1 1 -1  25  7  o 94.93082 44.84107 -3.151711      7.443794  6.133092       6.511274  -19.82301      68.28239 
1 1 1 -1  25  8  o 127.2966 51.14620 11.66549       6.167346  4.497010       6.176522  28.52237       75.19390 
1 1 1 -1  25  9  o 93.59363 42.95523 4.594991       5.632988  0.9107254      5.714291  10.92868       65.00568 
1 1 1 -1  25  10 o 71.15527 34.96487 -3.745870      5.321940  -1.118259      5.385698  -5.864258      56.05650 
1 1 1 -1  25  11 o 60.72803 30.96502 -13.04294      5.458000  -4.530223      9.216246  -22.07716      54.04620 
1 1 1 -1  25  12 o 74.98990 37.44474 -9.956588      9.785419  -0.3585829     5.885577  -2.689133      58.24125 
1 1 1 -1  25  13 o 80.89740 40.80038 -10.09080      9.825408  5.604815       9.365459  -13.28207      61.79630 
1 1 1 -1  25  14 o 95.88804 48.19304 11.50199       9.026142  0.000000       0.000000  ?              ?        
1 1 1 -1  25  15 o 82.56882 40.92234 7.033516       7.634130  0.1930718      8.191409  7.773537       58.77275 
1 1 1 -1  25  16 o 75.55135 37.80622 0.9822830      7.129933  3.107221       7.814732  -2.312279      54.96761 
1 1 1 -1  25  17 o 59.61755 30.02645 -3.413942      4.810166  -2.695541      5.435143  -2.673386      47.02835 
1 1 1 -1  25  18 o 63.76568 31.98604 -2.288912      4.567665  3.853077       7.354456  -9.380844      48.63638 
1 1 1 -1  26  1  o 75.22887 37.74267 -13.58051      12.47163  -4.667321      6.009680  8.846848       61.66103 
1 1 1 -1  26  2  o 97.54803 46.98894 11.98578       12.96829  -0.1550801E-01 6.714045  17.79749       72.16016 
1 1 1 -1  26  3  o 96.54731 45.49152 0.3712887      8.065598  4.175730       6.345821  -6.681931      68.31749 
1 1 1 -1  26  4  o 86.26389 42.20549 -2.082747      9.025756  0.4520248      6.611701  0.2501221      64.86523 
1 1 1 -1  26  5  o 82.81444 40.70555 1.093256       8.469706  -2.307146      6.471528  9.080803       63.26384 
1 1 1 -1  26  6  o 102.6423 47.62020 -0.9392577     8.273029  9.277645       6.530367  -22.62331      69.38317 
1 1 1 -1  26  7  o 79.45383 39.24771 -5.331360      7.355838  1.543346       6.776917  -9.507210      60.93636 
1 1 1 -1  26  8  o 75.54819 37.29467 -4.911868      6.215450  1.214646       6.449397  -11.24153      58.68349 
1 1 1 -1  26  9  f 75.25519 36.74986 -2.663606      5.533542  1.118871       5.753263  -8.333229      57.35438 
1 1 1 -1  26  10 o 88.46529 41.31817 7.923785       5.796477  -1.024963      5.427657  23.22091       62.16802 
1 1 1 -1  26  11 o 61.09427 30.79867 -9.496475      5.423703  -1.053154      5.432501  -12.52242      50.40269 
1 1 1 -1  26  12 o 69.19561 34.35974 -0.8570184     5.678434  -2.107900      5.662119  2.050743       53.05529 
1 1 1 -1  26  13 o 73.60583 36.11859 4.341440       5.668214  -2.918437      5.631644  12.74561       54.64943 
1 1 1 -1  26  14 o 84.78937 42.02953 6.216619       5.899834  0.000000       0.000000  ?              ?        
1 1 1 -1  26  15 f 83.63535 39.68572 3.321056       5.280078  6.719630       5.860333  -5.797783      56.10654 
1 1 1 -1  26  16 o 75.79092 36.60383 5.850016       4.971808  0.6839529      5.457613  9.833649       52.46943 
1 1 1 -1  26  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  27  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 -1  27  5  o 72.37434 36.39305 -2.443736      8.975025  -5.759570      6.343239  9.796349       57.82486 
1 1 1 -1  27  6  o 74.67382 37.39758 -8.640440      8.564917  0.3285510      6.550099  -6.539116      57.91893 
1 1 1 -1  27  7  o 92.96931 44.44033 11.03942       7.814681  0.1109291      6.747912  18.42142       64.95187 
1 1 1 -1  27  8  o 82.31539 39.75418 -0.3039834     6.078280  4.245929       6.183678  -8.819229      59.34287 
1 1 1 -1  27  9  o 67.73800 33.92109 -5.493409      6.229403  -0.9102678     5.880715  -5.580528      53.14742 
1 1 1 -1  27  10 o 77.36669 38.77428 0.4876091      5.641348  0.000000       0.000000  ?              ?        
1 1 1 -1  27  11 o 77.13483 38.75765 0.000000       0.000000  1.411850       5.818384  ?              ?        
1 1 1 -1  27  12 o 75.18105 36.74908 3.252680       5.562446  0.6010273      5.804795  4.396667       53.98966 
1 1 1 -1  27  13 o 61.86628 31.39374 -4.359824      7.299654  -3.714915      5.539876  2.682938       48.59112 
1 1 1 -1  27  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -25 1  o 90.76583 44.63283 -0.8472048     6.942646  -11.25929      13.81808  -3.116478      70.81776 
1 1 1 0   -25 2  o 67.83765 34.54459 -14.42497      6.203043  -14.99792      14.34730  -28.31571      62.75080 
1 1 1 0   -24 1  o 79.72185 39.70876 -7.774819      6.022795  -6.543116      13.85491  -29.19944      70.20412 
1 1 1 0   -24 2  o 114.0182 52.25323 2.132331       6.555439  11.43552       13.62267  -20.62691      82.29342 
1 1 1 0   -24 3  o 95.41426 45.93169 -1.744894      6.488037  -0.1409724     11.71399  -16.25527      74.50281 
1 1 1 0   -24 4  o 96.03675 46.17379 -3.708737      6.728805  5.769555       10.68726  -27.69470      75.57698 
1 1 1 0   -23 1  o 158.7074 60.80465 9.484875       6.699227  13.82969       12.66545  0.8016510      93.68267 
1 1 1 0   -23 2  o 119.7651 53.38506 1.651774       6.690236  9.775311       10.75366  -26.75031      84.95831 
1 1 1 0   -23 3  f 104.3034 48.59384 0.8663915      6.595482  -0.4208661     9.539895  -5.961456      77.43739 
1 1 1 0   -23 4  o 124.4392 53.26250 5.727733       6.482962  4.462137       8.592375  3.251205       81.48520 
1 1 1 0   -23 5  o 103.2472 48.71424 -1.131385      7.355912  2.227911       9.236451  -13.01404      77.31115 
1 1 1 0   -23 6  o 94.35484 46.90218 -6.944263      7.548805  0.000000       0.000000  ?              ?        
1 1 1 0   -22 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -22 2  o 137.4286 56.72902 9.078913       7.422441  1.992115       8.343241  27.15882       87.65386 
1 1 1 0   -22 3  o 100.1748 46.68334 -1.543477      6.161579  1.367339       8.619241  -18.92677      76.61925 
1 1 1 0   -22 4  o 105.7586 48.94087 -1.533633      6.769602  3.758128       8.786119  -22.01904      79.18053 
1 1 1 0   -22 5  o 88.57829 43.45147 -8.108883      7.382250  -2.512406      9.238611  -19.93675      73.22867 
1 1 1 0   -22 6  o 135.1416 58.89114 5.944015       8.732024  7.759130       9.920972  -5.286072      89.14366 
1 1 1 0   -22 7  o 106.9821 53.18014 0.000000       0.000000  -6.273380      9.707031  ?              ?        
1 1 1 0   -21 1  o 100.5645 46.58295 -5.016379      5.840455  7.490795       8.858110  -58.87114      82.13354 
1 1 1 0   -21 2  o 130.5255 54.34793 9.032968       6.711700  -3.264714      8.037014  48.04119       85.05762 
1 1 1 0   -21 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -21 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -21 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -21 6  o 124.4788 54.56743 -0.5297915     7.518960  9.253251       8.743543  -36.41921      86.70613 
1 1 1 0   -21 7  o 170.4086 61.74984 7.273670       7.680521  16.94699       9.380722  -38.52888      96.96459 
1 1 1 0   -21 8  o 122.1871 52.15363 1.286644       6.439550  7.877792       7.690068  -28.62614      82.53368 
1 1 1 0   -21 9  o 128.7318 55.42221 5.559065       8.086307  4.773407       7.938403  2.856018       85.30105 
1 1 1 0   -20 1  o 102.1320 47.14090 -0.4809842     6.329526  -4.076750      7.855222  1.252655       78.64067 
1 1 1 0   -20 2  o 207.1265 56.89666 11.59896       6.853746  13.90463       8.466718  -9.458221      99.15322 
1 1 1 0   -20 3  o 97.24424 46.73146 -4.301433      7.670653  -5.693726      8.920761  -4.221840      78.46428 
1 1 1 0   -20 4  o 128.2881 55.63950 2.486513       7.913502  3.082038       8.504028  -4.464218      88.91414 
1 1 1 0   -20 5  o 112.8197 51.63315 -0.1885781     8.303384  0.6815227E-03  7.947398  1.091339       83.59013 
1 1 1 0   -20 6  f 139.9997 63.41300 4.411777       8.381884  0.000000       0.000000  ?              ?        
1 1 1 0   -20 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -20 8  o 124.6320 62.33538 -10.13900      14.23779  0.000000       0.000000  ?              ?        
1 1 1 0   -20 9  o 107.5145 49.82581 -3.332863      7.625183  4.293041       8.213999  -24.10734      80.24295 
1 1 1 0   -20 10 o 117.4737 52.40814 2.829444       7.529935  2.615359       8.011163  -0.5578232     82.15537 
1 1 1 0   -19 1  o 122.9141 49.76939 1.386930       5.241537  4.254402       6.872583  -27.34859      82.69193 
1 1 1 0   -19 2  o 134.3768 56.12562 0.8345123      7.246483  5.583712       8.517195  -28.22279      91.85232 
1 1 1 0   -19 3  f 129.2303 55.53856 1.537846       7.895128  2.490568       8.146755  -5.276932      90.16801 
1 1 1 0   -19 4  o 131.5946 56.45733 8.065207       8.625456  -1.966200      7.935130  43.75230       91.63812 
1 1 1 0   -19 5  o 102.2479 48.28298 0.2188599      8.174602  -6.465505      7.882805  20.99532       80.81145 
1 1 1 0   -19 6  o 86.62527 42.22628 -4.901134      6.847607  -9.324693      7.986145  2.155090       72.48186 
1 1 1 0   -19 7  o 127.3969 53.92231 1.898189       7.124358  4.919687       7.613102  -14.65138      86.13946 
1 1 1 0   -19 8  o 105.1618 48.53365 0.1219981      7.225920  -1.591611      7.554914  3.739159       78.95524 
1 1 1 0   -19 9  o 113.6680 54.16650 -2.289362      7.465273  0.000000       0.000000  ?              ?        
1 1 1 0   -19 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -19 11 o 135.8066 63.52607 0.5296539      13.17255  8.270795       13.48936  -14.18115      97.00498 
1 1 1 0   -18 1  o 219.0409 48.88449 7.530663       5.859460  18.72000       7.332786  -91.22264      88.46120 
1 1 1 0   -18 2  o 137.8375 56.65449 7.748952       7.542306  -2.903376      8.037033  48.52699       91.67128 
1 1 1 0   -18 3  o 183.5309 61.90272 13.54674       8.331753  4.114426       8.374543  56.12114       100.3657 
1 1 1 0   -18 4  o 169.1618 61.95700 7.050707       8.705644  7.634633       8.295286  -2.025482      100.3786 
1 1 1 0   -18 5  f 176.6270 59.01685 11.66945       7.125945  4.463258       8.167831  42.40678       95.39755 
1 1 1 0   -18 6  o 165.1526 59.26011 7.212575       7.293877  8.358544       8.224371  -7.537628      95.82926 
1 1 1 0   -18 7  o 110.9231 49.36751 -3.496011      6.434225  5.250318       7.340323  -41.87746      82.05962 
1 1 1 0   -18 8  o 141.7297 57.18119 9.190112       7.924418  1.177079       7.584632  38.29367       91.15595 
1 1 1 0   -18 9  o 134.6753 59.87760 3.198052       7.099550  0.000000       0.000000  ?              ?        
1 1 1 0   -18 10 o 109.2318 50.50599 5.214026       8.374047  -5.465363      7.763906  35.37326       82.93147 
1 1 1 0   -18 11 o 123.1957 58.63810 0.000000       0.000000  -0.8408540     8.696566  ?              ?        
1 1 1 0   -18 12 o 109.0536 54.05601 -1.435422      14.15686  -16.46556      13.46694  20.61102       88.39383 
1 1 1 0   -17 1  o 121.2944 50.65461 -1.540139      6.016016  4.615543       6.762233  -40.41110      84.39230 
1 1 1 0   -17 2  o 322.1077 48.04167 27.77981       9.221637  21.67728       9.392958  44.60837       99.34187 
1 1 1 0   -17 3  o 141.4792 57.48377 -1.864188      7.835019  7.878111       7.954579  -49.92433      93.72894 
1 1 1 0   -17 4  o 188.0849 59.23222 7.157883       7.186675  11.57708       8.376764  -31.95500      99.61299 
1 1 1 0   -17 5  o 306.3903 45.11597 20.40575       7.819496  26.22827       8.926680  -36.29175      94.48560 
1 1 1 0   -17 6  o 207.6232 52.60776 7.758477       6.259143  16.34074       7.463967  -65.40172      92.90679 
1 1 1 0   -17 7  o 128.9360 52.54788 2.736875       6.576353  3.201139       6.665865  -2.938858      85.26951 
1 1 1 0   -17 8  f 143.8151 64.07005 0.000000       0.000000  2.772380       8.170478  ?              ?        
1 1 1 0   -17 9  o 115.0838 51.91019 -3.092120      8.021250  2.636649       7.682386  -18.37870      84.88686 
1 1 1 0   -17 10 o 113.9715 51.29324 0.8340356      7.093567  -0.2116223     8.263641  -2.440269      83.39129 
1 1 1 0   -17 11 o 112.9320 50.08762 8.153433       7.102701  -5.228988      6.868286  54.55718       81.65649 
1 1 1 0   -17 12 f 129.3881 54.24620 5.741691       7.580465  2.362236       7.108170  15.86279       86.10567 
1 1 1 0   -17 13 o 200.1592 64.69407 12.66769       9.234926  16.08370       9.076687  -18.19795      103.8089 
1 1 1 0   -17 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -16 1  o 460.0462 37.28644 0.000000       0.000000  48.49071       7.459649  ?              ?        
1 1 1 0   -16 2  o 110.7813 49.93332 -4.813977      6.651361  2.166204       8.032493  -42.52394      86.16476 
1 1 1 0   -16 3  o 197.8093 60.62548 9.674918       7.988900  9.380835       8.304382  1.067154       102.4337 
1 1 1 0   -16 4  o 255.3544 66.43742 0.000000       0.000000  16.70972       7.511441  ?              ?        
1 1 1 0   -16 5  o 495.1529 31.43662 49.88211       9.559884  61.87320       9.652820  -56.52951      64.97884 
1 1 1 0   -16 6  o 264.5320 48.19905 10.23832       7.839775  23.39975       7.413849  -104.0573      91.65670 
1 1 1 0   -16 7  o 375.2302 33.43203 36.66586       7.957926  29.41090       7.466241  43.17612       70.36580 
1 1 1 0   -16 8  o 113.2251 52.89472 -16.93075      12.94929  0.8672978      7.514181  -8.977203      88.81237 
1 1 1 0   -16 9  o 190.2214 59.34694 13.70327       7.442735  6.528879       8.125986  45.84215       97.23947 
1 1 1 0   -16 10 o 140.5832 54.77692 2.705731       7.084651  6.453923       6.694211  -18.73116      87.95387 
1 1 1 0   -16 11 o 107.8968 48.26773 4.415221       6.879285  -3.569019      6.405378  35.70987       79.73245 
1 1 1 0   -16 12 o 96.75648 45.50338 0.6824236      7.029431  -5.598664      6.965378  20.09050       75.86292 
1 1 1 0   -16 13 o 117.7321 51.59603 -0.7703256E-01 7.358212  3.674733       7.058815  -13.35258      82.71172 
1 1 1 0   -16 14 o 142.9958 57.02727 5.549513       8.870428  6.519410       6.775010  -1.761124      89.72793 
1 1 1 0   -16 15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -15 1  o 286.4695 33.81809 15.99361       5.909285  21.44070       5.878573  -45.28290      70.91164 
1 1 1 0   -15 2  o 274.4832 36.67404 18.68187       5.972364  15.95518       6.211237  24.32901       76.25961 
1 1 1 0   -15 3  o 305.6654 42.81824 18.29567       7.691594  25.73014       8.118508  -54.90637      88.48297 
1 1 1 0   -15 4  o 197.6513 56.18470 7.838484       6.948252  11.38352       7.510633  -28.13347      96.61073 
1 1 1 0   -15 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -15 6  o 243.3431 48.24937 14.06230       7.054662  14.51788       6.997506  -3.953796      92.64535 
1 1 1 0   -15 7  o 201.3703 65.65244 0.000000       0.000000  10.37478       6.658476  ?              ?        
1 1 1 0   -15 8  o 357.4872 60.45338 0.000000       0.000000  33.05603       9.141836  ?              ?        
1 1 1 0   -15 9  o 161.7163 55.50930 8.400414       6.741393  4.799479       6.700188  24.01971       91.00959 
1 1 1 0   -15 10 o 192.3928 55.68605 8.470780       7.019737  11.98592       7.029271  -25.33305      94.66572 
1 1 1 0   -15 11 o 96.17484 44.74825 -0.3126549     6.731944  -4.366562      6.241008  18.80338       75.68119 
1 1 1 0   -15 12 o 93.99770 44.39306 -1.336775      7.023012  -5.061430      6.575079  15.41405       75.06699 
1 1 1 0   -15 13 o 152.4948 56.50183 8.968830       7.225917  4.823774       6.975825  23.02882       90.20663 
1 1 1 0   -15 14 o 155.2542 58.17117 11.76885       8.365878  4.231404       6.956145  39.52066       93.37212 
1 1 1 0   -15 15 o 114.4924 51.40610 1.027778       8.630670  1.349391       6.860653  6.250168       82.71947 
1 1 1 0   -15 16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -14 1  o 649.5954 19.97741 94.84521       8.068983  91.86339       8.012275  10.45117       40.18068 
1 1 1 0   -14 2  o 195.9726 46.09250 11.66521       5.558312  6.657859       5.460450  46.19685       82.52629 
1 1 1 0   -14 3  o 553.9353 29.69815 66.63503       10.09234  71.07467       10.24437  -18.21454      60.35494 
1 1 1 0   -14 4  o 336.3436 34.65973 24.77554       6.953947  26.91634       7.315852  -13.71887      72.09698 
1 1 1 0   -14 5  o 413.8347 31.57553 44.23162       7.745977  32.10952       8.380564  71.57904       67.28440 
1 1 1 0   -14 6  o 220.8460 48.69438 11.92235       6.522257  11.39082       6.460538  4.581940       90.26198 
1 1 1 0   -14 7  o 96.06213 44.83355 -2.666991      6.571788  -5.113073      6.582997  9.223701       77.36604 
1 1 1 0   -14 8  o 128.8339 52.21846 0.4147274      6.307126  4.274171       6.702525  -24.92955      86.02477 
1 1 1 0   -14 9  o 226.2793 50.83794 20.09512       7.142391  6.218722       6.793380  109.8636       88.59100 
1 1 1 0   -14 10 o 451.6796 29.85026 47.80131       8.131047  45.97908       8.515769  11.68192       61.88330 
1 1 1 0   -14 11 o 183.6325 56.70378 12.07124       7.023696  6.254461       7.192183  39.92406       94.04872 
1 1 1 0   -14 12 o 155.0892 56.84460 10.29631       7.349059  2.672517       6.968677  45.50679       91.58520 
1 1 1 0   -14 13 o 127.3517 55.23686 -1.434909      9.727164  4.076298       7.053845  -7.862885      88.97169 
1 1 1 0   -14 14 o 108.5660 50.40688 -3.481411      10.66647  -0.5653804     6.843754  11.41778       83.74833 
1 1 1 0   -14 15 o 101.2559 48.06942 2.143733       10.78838  -5.481554      6.826133  40.02393       83.77400 
1 1 1 0   -14 16 o 123.4781 53.33902 7.846251       7.967067  -0.8055155     7.053987  37.37706       85.68963 
1 1 1 0   -13 1  o 311.9825 27.42279 23.88277       5.355029  19.90220       5.156901  29.39053       56.34932 
1 1 1 0   -13 2  o 403.8004 24.51616 37.49538       6.110834  35.04591       6.113196  14.05014       49.69439 
1 1 1 0   -13 3  o 524.1584 33.12236 61.91095       11.64342  61.50616       9.977531  -2.210693      68.36507 
1 1 1 0   -13 4  o 408.3289 27.99665 43.07139       6.760783  30.42789       7.376374  74.59637       59.49130 
1 1 1 0   -13 5  o 362.5400 29.34131 28.17559       6.476295  31.01073       6.610279  -17.94373      60.17230 
1 1 1 0   -13 6  o 287.7670 34.68046 20.85963       6.110862  17.03690       6.022248  31.16544       72.26304 
1 1 1 0   -13 7  o 172.2160 54.18923 6.479465       6.399427  7.369190       6.517047  -7.266479      91.14132 
1 1 1 0   -13 8  o 485.2969 39.06293 53.85512       8.245027  0.000000       0.000000  ?              ?        
1 1 1 0   -13 9  o 184.7896 57.95570 5.217204       7.555342  11.22631       7.239233  -40.55946      96.23756 
1 1 1 0   -13 10 f 137.3245 58.84990 0.6531280      7.627025  2.817529       11.35958  -31.71555      99.67886 
1 1 1 0   -13 11 o 408.3675 37.19814 44.08644       12.41265  37.40550       7.776466  4.796143       87.38010 
1 1 1 0   -13 12 o 127.1827 56.26410 -8.350919      12.62581  3.462966       7.104012  -5.629303      92.64925 
1 1 1 0   -13 13 o 178.7465 67.24043 0.000000       0.000000  9.210304       7.161713  ?              ?        
1 1 1 0   -13 14 o 386.7852 47.75331 0.000000       0.000000  39.30173       7.929808  ?              ?        
1 1 1 0   -13 15 o 101.9237 48.14813 -7.773596      10.62642  -1.100585      6.675344  5.626396       80.54646 
1 1 1 0   -13 16 o 126.0823 55.62703 0.7884446      10.53387  3.232793       7.323101  3.227356       89.14323 
1 1 1 0   -13 17 o 296.3149 51.01204 28.14750       10.95570  23.74295       7.868640  -14.49916      108.3227 
1 1 1 0   -12 1  o 119.7307 43.78364 4.613150       4.265608  1.016213       4.212551  30.07130       71.75796 
1 1 1 0   -12 2  o 454.2787 21.53531 44.52875       6.041288  47.11783       6.061441  -13.10016      43.49233 
1 1 1 0   -12 3  f 325.3179 40.66558 26.19446       8.538186  22.69627       7.598904  22.19141       84.58677 
1 1 1 0   -12 4  o 468.0517 23.56326 51.29909       6.630199  45.60362       7.025785  28.78693       47.94231 
1 1 1 0   -12 5  o 273.1128 34.04010 21.98631       5.812597  12.43953       5.485868  80.80644       70.92428 
1 1 1 0   -12 6  o 626.2632 20.65371 87.50819       7.922566  86.18130       8.105904  5.149231       41.59277 
1 1 1 0   -12 7  o 159.9369 53.93907 6.153612       6.894534  5.428207       5.904217  10.76190       90.02548 
1 1 1 0   -12 8  o 292.9488 50.22619 18.07374       11.25918  21.24722       7.465026  -30.42407      104.0045 
1 1 1 0   -12 9  o 504.3258 65.58012 61.90398       14.16399  0.000000       0.000000  ?              ?        
1 1 1 0   -12 10 o 297.6042 64.18864 22.39720       8.132542  0.000000       0.000000  ?              ?        
1 1 1 0   -12 11 f 160.2947 58.52510 12.18426       8.522109  1.549493       6.877937  71.64230       96.35588 
1 1 1 0   -12 12 o 152.2632 57.87138 8.311772       8.566753  3.026575       6.822406  37.34279       95.44394 
1 1 1 0   -12 13 o 157.6543 60.91759 5.243944       11.82853  6.292038       6.930156  10.91420       100.6876 
1 1 1 0   -12 14 o 202.6604 57.64198 11.49213       8.196674  11.55696       7.100561  -2.591034      98.97691 
1 1 1 0   -12 15 o 178.1997 58.44555 9.689423       7.965173  9.053753       7.035907  3.388336       96.08308 
1 1 1 0   -12 16 o 170.3601 58.17215 5.031621       7.529408  12.52076       7.236686  -44.05130      93.02023 
1 1 1 0   -12 17 o 149.0353 60.01252 0.1878670      12.33391  8.727410       6.901364  -20.77063      93.48415 
1 1 1 0   -12 18 o 154.2692 54.37016 8.070492       6.441424  6.717083       6.497793  8.179611       87.15573 
1 1 1 0   -11 1  o 458.2527 34.02114 46.61889       9.404315  50.12132       9.812667  -16.10712      70.49176 
1 1 1 0   -11 2  o 117.1622 53.58435 -3.075637      8.966589  -2.689824      8.502561  2.376556       90.61393 
1 1 1 0   -11 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -11 4  o 225.4323 41.62823 9.966206       5.341671  14.16359       5.916036  -38.58348      80.65543 
1 1 1 0   -11 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -11 6  f 240.5418 58.65519 13.91342       6.132137  0.000000       0.000000  ?              ?        
1 1 1 0   -11 7  o 759.6766 20.83002 138.8151       10.17989  118.1013       9.471829  61.41327       41.89330 
1 1 1 0   -11 8  o 278.7658 40.06895 15.28903       7.150996  20.09436       6.375648  -42.35080      83.17702 
1 1 1 0   -11 9  o 616.1758 33.33799 0.000000       0.000000  85.40855       8.976870  ?              ?        
1 1 1 0   -11 10 o 363.0098 42.88536 30.53764       8.542418  30.25370       10.78716  10.94775       92.42664 
1 1 1 0   -11 11 o 242.9806 53.27845 18.51705       8.157831  11.03936       7.500920  57.40224       98.12060 
1 1 1 0   -11 12 o 140.3134 57.83142 -2.618589      11.27297  4.449115       6.687262  -0.2331696     96.16753 
1 1 1 0   -11 13 o 220.0177 54.95171 12.71264       8.491926  12.48231       6.756451  -1.166809      99.07072 
1 1 1 0   -11 14 o 264.1217 69.12147 20.72578       8.099298  0.000000       0.000000  ?              ?        
1 1 1 0   -11 15 o 339.7916 37.24427 25.95350       7.868142  29.96897       7.583435  -32.02322      81.13990 
1 1 1 0   -11 16 f 107.8968 50.55859 -2.305924      11.12928  -2.813814      7.146045  23.16146       85.94138 
1 1 1 0   -11 17 o 120.0876 50.56519 2.356392       6.248313  2.962800       6.595109  -4.496231      81.24541 
1 1 1 0   -11 18 o 131.3316 51.61894 4.901982       6.326776  4.338098       5.996331  3.912811       82.21372 
1 1 1 0   -11 19 o 145.0333 52.83921 3.785944       6.300331  8.784498       6.038274  -29.56491      83.86381 
1 1 1 0   -10 1  o 207.4208 41.05066 6.764381       5.112606  13.75261       5.077261  -67.55864      76.58704 
1 1 1 0   -10 2  o 154.5950 53.37783 12.14904       6.941284  1.099711       5.681258  84.55920       87.00060 
1 1 1 0   -10 3  o 140.8232 54.02740 1.563477       7.139337  5.419372       6.196538  -16.68141      88.16373 
1 1 1 0   -10 4  o 621.9223 20.66578 89.33606       8.003436  82.69553       7.920421  24.38824       41.69670 
1 1 1 0   -10 5  o 611.6404 28.32800 85.58389       10.97166  81.78722       10.48270  13.27234       57.39407 
1 1 1 0   -10 6  o 569.1715 28.93966 76.54086       10.17198  67.86859       10.19639  35.28979       58.71428 
1 1 1 0   -10 7  o 211.3640 46.78848 13.07127       6.168137  8.254484       5.794104  43.50923       85.68645 
1 1 1 0   -10 8  f 241.7602 42.15424 10.66607       6.287727  16.15784       5.913650  -49.59930      82.75702 
1 1 1 0   -10 9  o 433.1848 36.35313 0.000000       0.000000  42.60390       6.843767  ?              ?        
1 1 1 0   -10 10 o 294.4557 41.89939 22.46910       7.929337  18.13120       7.027118  31.08646       86.17970 
1 1 1 0   -10 11 o 641.1585 25.70170 140.8965       11.22176  56.89705       9.416878  294.4435       54.31006 
1 1 1 0   -10 12 o 601.1514 25.44281 82.16001       9.959678  79.85928       9.039731  6.377563       51.74938 
1 1 1 0   -10 13 o 172.1927 56.00275 8.414218       7.472707  6.479118       6.367275  17.15637       93.77841 
1 1 1 0   -10 14 o 199.1583 54.99080 8.575158       7.286516  11.89317       6.775307  -25.00237      94.83997 
1 1 1 0   -10 15 o 262.5232 45.21454 12.16501       6.959602  23.27545       7.243832  -88.93423      89.29763 
1 1 1 0   -10 16 o 108.9812 47.93266 -3.579304      6.019597  5.035579       6.549969  -43.55579      79.58451 
1 1 1 0   -10 17 o 125.0394 50.49144 3.742539       6.058529  2.913158       6.036926  4.601822       81.27229 
1 1 1 0   -10 18 o 201.2045 50.35360 15.57247       6.591782  8.078356       5.989569  56.90871       88.93891 
1 1 1 0   -10 19 o 88.91669 40.97714 -0.5843865     5.444448  -1.629322      5.052005  7.345078       68.00773 
1 1 1 0   -10 20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -9  1  o 318.5094 22.42981 17.29272       4.435962  27.82034       4.371347  -77.89029      47.54366 
1 1 1 0   -9  2  o 278.2570 27.12065 18.16521       4.917978  16.96732       4.373601  8.057068       56.26790 
1 1 1 0   -9  3  o 497.4892 20.89083 54.53176       6.560607  55.76615       6.311841  -6.370544      42.29308 
1 1 1 0   -9  4  o 373.8338 27.68057 34.20332       7.174284  29.98131       5.792223  20.80814       57.55800 
1 1 1 0   -9  5  o 329.9673 41.06227 25.00969       8.868546  25.81366       7.701447  -11.88666      87.34039 
1 1 1 0   -9  6  o 605.5020 28.17584 84.15682       10.67140  79.91274       10.44035  15.68121       57.09440 
1 1 1 0   -9  7  o 584.6085 20.50992 84.03905       7.578629  67.75202       7.282790  63.51178       41.36183 
1 1 1 0   -9  8  o 198.4415 60.30165 8.302674       7.810948  10.33473       8.374298  -16.17805      102.2568 
1 1 1 0   -9  9  o 203.8205 62.88862 9.847384       8.580081  9.875416       8.916084  -1.351654      106.2005 
1 1 1 0   -9  10 o 678.5844 21.08426 110.8421       9.144410  94.26459       8.608699  55.14063       42.45787 
1 1 1 0   -9  11 o 267.9932 46.48032 13.81633       7.956172  19.19459       7.024524  -45.22112      92.15642 
1 1 1 0   -9  12 o 464.9651 29.03108 50.84015       8.512653  46.34486       8.161593  21.55646       59.09946 
1 1 1 0   -9  13 o 185.3170 55.70973 5.376935       6.981390  11.36043       6.861869  -43.78706      93.32252 
1 1 1 0   -9  14 o 285.8411 40.93225 17.82282       6.998985  21.10449       7.104028  -26.25345      85.18737 
1 1 1 0   -9  15 o 246.7789 44.79836 13.13619       6.558228  17.08072       6.653453  -33.61058      88.56774 
1 1 1 0   -9  16 o 198.1832 48.89716 12.64145       5.729991  7.689145       6.251459  42.99628       86.51945 
1 1 1 0   -9  17 o 148.5690 51.73120 8.586585       5.927625  3.246653       5.766439  37.14645       83.95951 
1 1 1 0   -9  18 o 125.4734 47.48553 1.001367       5.251846  6.354300       4.903014  -33.80245      75.91635 
1 1 1 0   -9  19 o 82.88992 38.31991 -2.729634      4.634062  -0.2078783     4.630404  -11.04881      64.24721 
1 1 1 0   -9  20 o 82.46577 38.26307 3.535765       4.724530  -6.269413      4.640264  43.85484       64.98663 
1 1 1 0   -8  1  o 384.4122 18.60254 35.37786       4.564776  30.27250       4.293246  30.11661       37.48370 
1 1 1 0   -8  2  o 421.8973 18.58641 42.33654       5.111649  36.94844       4.628873  28.54279       37.45217 
1 1 1 0   -8  3  o 262.8398 36.52946 13.44299       8.187759  16.74535       4.733278  -36.86177      83.64630 
1 1 1 0   -8  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -8  5  o 126.4208 48.79258 7.634791       5.692414  -1.169507      5.184064  63.87250       79.26471 
1 1 1 0   -8  6  o 443.4364 22.84201 43.37742       5.977207  44.66724       6.591903  -5.006897      46.49137 
1 1 1 0   -8  7  o 332.3931 28.29800 26.90251       5.576614  22.43699       6.005937  33.05307       59.11743 
1 1 1 0   -8  8  o 336.2123 38.02899 18.48346       7.926163  32.40830       7.664868  -99.40173      81.75899 
1 1 1 0   -8  9  o 338.0405 39.92876 22.77599       8.391631  28.98488       8.042297  -44.69177      83.80121 
1 1 1 0   -8  10 o 122.7670 55.11007 -2.228870      6.168896  0.000000       0.000000  ?              ?        
1 1 1 0   -8  11 o 357.4985 45.48875 34.78218       11.05468  26.31244       8.983648  47.28540       95.33025 
1 1 1 0   -8  12 o 257.6536 60.54427 17.68723       9.657042  14.73833       9.372717  20.66861       110.0909 
1 1 1 0   -8  13 o 702.2414 21.91758 109.2863       9.347626  109.7574       9.736104  -0.8159790     44.20647 
1 1 1 0   -8  14 o 276.8963 41.23997 21.89841       6.949191  14.39766       6.789142  61.42023       84.45075 
1 1 1 0   -8  15 o 459.1373 24.05908 49.12681       6.511977  45.58400       7.195969  20.67252       49.56504 
1 1 1 0   -8  16 o 131.4447 49.81707 2.616836       5.426140  4.899369       5.754609  -16.93080      81.31775 
1 1 1 0   -8  17 o 375.5906 25.65111 32.84255       5.933865  32.15474       5.947147  4.423431       53.10893 
1 1 1 0   -8  18 o 155.3649 46.15500 3.605607       4.675173  9.583123       4.875264  -51.98703      76.73785 
1 1 1 0   -8  19 o 250.1600 33.79550 18.55134       5.176365  12.62503       5.046792  55.04160       72.22311 
1 1 1 0   -8  20 o 108.7130 43.79871 2.769955       4.512773  2.231859       4.566289  3.099266       70.54938 
1 1 1 0   -8  21 o 174.2168 44.83620 9.221842       4.937979  8.099956       4.811821  9.409042       79.44180 
1 1 1 0   -7  1  o 744.4930 21.70471 122.3839       7.080305  0.000000       0.000000  ?              ?        
1 1 1 0   -7  2  o 265.1272 25.75109 9.661003       4.283185  21.20480       4.087369  -104.8340      57.65258 
1 1 1 0   -7  3  o 603.9003 16.94724 80.04049       6.436778  80.80737       6.251977  -3.108032      34.04582 
1 1 1 0   -7  4  o 479.1561 26.40848 0.000000       0.000000  51.28273       5.528902  ?              ?        
1 1 1 0   -7  5  o 111.3497 45.93052 -0.5532882     5.081854  2.971357       5.192004  -23.12691      75.99433 
1 1 1 0   -7  6  o 348.5748 40.07535 0.000000       0.000000  28.41078       6.016028  ?              ?        
1 1 1 0   -7  7  o 240.3025 39.22770 12.38791       5.286317  15.14918       6.090538  -22.65045      79.20409 
1 1 1 0   -7  8  o 389.1350 23.44783 29.79513       5.157967  39.53795       6.271396  -54.88568      47.58402 
1 1 1 0   -7  9  o 761.7778 18.03045 127.6594       8.407022  128.2281       8.638134  -1.468689      36.23955 
1 1 1 0   -7  10 o 534.0571 42.89288 0.000000       0.000000  64.74079       9.963447  ?              ?        
1 1 1 0   -7  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -7  12 o 279.7299 82.95085 20.31089       10.90712  0.000000       0.000000  ?              ?        
1 1 1 0   -7  13 o 433.4484 37.17629 45.56472       10.39814  40.19506       9.466170  26.20996       76.74920 
1 1 1 0   -7  14 o 579.5513 28.07828 72.21873       9.451887  79.50400       10.81365  -25.33588      57.25410 
1 1 1 0   -7  15 o 130.9880 52.29641 3.658346       6.290513  1.581149       6.537702  10.16965       85.76169 
1 1 1 0   -7  16 o 164.0979 48.35815 5.040363       4.912519  9.042613       5.682738  -35.88747      82.44114 
1 1 1 0   -7  17 o 159.2776 49.24827 8.719214       5.239305  4.354901       5.486175  34.59409       81.77519 
1 1 1 0   -7  18 o 349.3141 29.38024 26.19568       6.031670  31.59687       6.624671  -32.18454      61.89149 
1 1 1 0   -7  19 o 120.9949 46.91739 4.267501       5.006641  2.400304       5.052124  11.86246       75.76777 
1 1 1 0   -7  20 f 99.40283 43.95041 -2.643898      5.291697  3.592223       5.380501  -30.24362      72.11758 
1 1 1 0   -7  21 o 166.6105 47.97398 5.408485       5.132624  11.03828       5.325022  -45.29872      80.63379 
1 1 1 0   -6  1  o 865.9263 22.04993 165.4091       8.368277  0.000000       0.000000  ?              ?        
1 1 1 0   -6  2  o 170.1476 49.41080 6.669220       3.904772  0.000000       0.000000  ?              ?        
1 1 1 0   -6  3  o 433.4684 18.08961 41.45123       4.963370  41.45570       4.750455  -0.2529907     36.40936 
1 1 1 0   -6  4  o 552.3446 24.36451 0.000000       0.000000  67.65942       5.888426  ?              ?        
1 1 1 0   -6  5  o 91.66725 41.06680 -2.187080      4.804948  -0.4420475     4.830840  -9.598999      69.80046 
1 1 1 0   -6  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -6  7  o 241.8823 41.28101 5.360801       5.830896  23.28799       6.123601  -151.5666      76.15990 
1 1 1 0   -6  8  o 232.0672 41.77769 10.35525       5.316020  16.29610       6.426796  -51.20241      81.92384 
1 1 1 0   -6  9  o 445.1134 24.99819 39.16625       6.083171  52.92732       8.085660  -66.03339      51.09736 
1 1 1 0   -6  10 o 319.4257 34.26743 20.16939       6.048794  27.51736       7.573112  -49.29486      70.99924 
1 1 1 0   -6  11 o 326.7327 35.61339 29.17152       6.357459  15.85188       8.187578  103.1882       81.95266 
1 1 1 0   -6  12 o 302.1599 33.23359 19.16713       6.014257  22.35372       6.245163  -24.21716      68.97617 
1 1 1 0   -6  13 o 759.8335 31.25668 130.4141       14.47799  128.3756       14.93482  7.274414       63.42749 
1 1 1 0   -6  14 x ?        ?        -17.49543      11.01955  -46.26654      12.12287  ?              ?        
1 1 1 0   -6  15 o 105.0659 47.57272 -1.993868      4.712339  0.000000       0.000000  ?              ?        
1 1 1 0   -6  16 o 199.1135 41.65835 8.954048       4.749926  10.38826       5.246724  -13.22264      78.77654 
1 1 1 0   -6  17 o 142.0725 47.10628 2.448462       4.508215  8.254843       5.257611  -51.09230      77.84133 
1 1 1 0   -6  18 o 160.9685 47.81768 11.14296       5.088998  2.426361       5.156001  72.32777       77.57423 
1 1 1 0   -6  19 o 164.4675 48.03094 8.511029       5.162172  6.129164       5.248891  20.02608       81.51017 
1 1 1 0   -6  20 o 153.8554 50.43054 3.619970       5.307749  10.67097       5.835009  -51.46819      82.25518 
1 1 1 0   -6  21 o 125.1475 48.15700 4.152724       5.349016  4.020937       5.192292  1.310349       77.16100 
1 1 1 0   -6  22 o 185.9916 42.92362 6.587165       4.842379  12.76975       4.861235  -57.57344      77.05005 
1 1 1 0   -5  1  o 1063.701 24.46786 249.6596       11.41608  0.000000       0.000000  ?              ?        
1 1 1 0   -5  2  o 311.5346 17.95968 22.94827       3.578231  20.09366       3.345536  20.79028       36.20864 
1 1 1 0   -5  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -5  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -5  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -5  6  o 417.9205 21.18869 35.09095       5.373093  42.73625       5.583215  -41.77151      42.88418 
1 1 1 0   -5  7  o 289.1554 31.36758 12.24903       5.340030  26.98873       5.756057  -118.7310      67.53624 
1 1 1 0   -5  8  o 452.5462 21.79431 47.28638       5.841261  43.90576       6.396933  18.88654       44.55635 
1 1 1 0   -5  9  o 560.8091 18.42600 73.80699       6.026502  64.43206       6.856183  40.21729       37.87740 
1 1 1 0   -5  10 o 227.0424 36.29130 13.84357       5.063594  10.03571       4.823550  37.04703       72.61193 
1 1 1 0   -5  11 o 307.4195 35.65237 21.39675       4.718479  0.000000       0.000000  ?              ?        
1 1 1 0   -5  12 o 226.3996 33.78439 13.49466       4.469738  9.682995       4.741703  39.03922       68.83485 
1 1 1 0   -5  13 o 193.4032 37.24210 8.259014       4.257479  9.187860       4.356047  -9.911346      71.58022 
1 1 1 0   -5  14 o 306.3286 24.22988 26.46119       4.574796  15.47866       4.558718  84.54868       51.78624 
1 1 1 0   -5  15 o 116.1875 47.68445 -1.558757      7.801857  2.299857       4.485492  10.49005       81.30560 
1 1 1 0   -5  16 o 314.1568 44.56972 27.77615       8.074764  18.27665       8.864716  74.26758       93.53452 
1 1 1 0   -5  17 o 145.7341 57.96338 1.362903       7.350595  7.497730       8.456672  -37.32887      94.94640 
1 1 1 0   -5  18 o 108.1368 45.58929 5.208566       5.036739  -3.458168      5.435217  45.44724       73.97301 
1 1 1 0   -5  19 o 303.0194 31.09296 15.93897       5.357596  29.79463       6.273643  -101.2030      66.97935 
1 1 1 0   -5  20 o 144.2575 43.54682 5.822076       4.333786  5.319488       4.119146  4.746811       73.59251 
1 1 1 0   -5  21 o 173.3005 42.16851 6.634859       4.486416  9.612902       4.492561  -29.08687      75.67949 
1 1 1 0   -5  22 o 120.0735 43.22227 7.483700       4.156329  0.4245929      4.063540  55.53652       68.51587 
1 1 1 0   -5  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -4  1  o 378.0444 12.42326 30.99832       3.017284  31.79915       2.812328  -4.990997      25.00273 
1 1 1 0   -4  2  o 707.9557 13.66790 108.0354       5.874164  112.4138       6.139392  -13.98193      27.40571 
1 1 1 0   -4  3  f 98.07188 37.91997 2.571912       3.269280  0.2001593      3.287248  20.84606       62.53139 
1 1 1 0   -4  4  o 363.9933 19.26992 25.59024       4.253977  33.21227       4.421907  -47.97897      39.01317 
1 1 1 0   -4  5  o 393.4508 18.56714 36.91376       4.528845  31.45299       4.508859  31.89340       37.48829 
1 1 1 0   -4  6  o 649.5245 15.75356 91.57726       6.273525  94.26725       6.423782  -9.335999      31.63701 
1 1 1 0   -4  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -4  8  o 102.7632 43.34503 0.1752115      4.734972  0.9556824      4.718282  -4.663765      72.06776 
1 1 1 0   -4  9  o 101.7474 43.22710 0.2960452      4.599102  0.5763974      4.933759  -5.301796      72.00957 
1 1 1 0   -4  10 o 145.6411 52.98628 0.000000       0.000000  4.312122       4.381539  ?              ?        
1 1 1 0   -4  11 o 252.1493 36.82679 14.54025       3.952929  0.000000       0.000000  ?              ?        
1 1 1 0   -4  12 o 537.3724 15.68041 66.47182       5.439031  61.20998       5.027906  21.97748       31.49318 
1 1 1 0   -4  13 o 911.1279 24.40031 0.000000       0.000000  184.3072       9.742826  ?              ?        
1 1 1 0   -4  14 o 391.5697 18.42392 33.91920       4.532221  33.98867       4.396089  -0.6451721     37.16304 
1 1 1 0   -4  15 o 363.5977 20.43821 31.99997       4.727575  26.96858       4.466030  31.40079       41.33527 
1 1 1 0   -4  16 o 380.9811 20.50500 28.96629       4.710037  36.02471       4.955513  -42.17761      41.58843 
1 1 1 0   -4  17 o 156.9673 41.07986 7.959123       3.905297  3.689288       4.202291  42.97668       70.71492 
1 1 1 0   -4  18 o 283.2325 41.92770 17.63739       6.918154  21.76747       7.394104  -30.39453      87.52890 
1 1 1 0   -4  19 o 132.8244 54.46940 3.566777       7.112216  3.334416       7.226071  0.5953827      87.79122 
1 1 1 0   -4  20 o 174.5761 36.75207 7.737556       3.512046  7.586348       4.320073  5.467911       70.08379 
1 1 1 0   -4  21 o 195.8368 35.84202 10.54948       4.272638  9.060886       4.119061  14.75122       71.40981 
1 1 1 0   -4  22 o 152.0978 39.80890 6.271883       4.251863  6.265678       3.465524  -2.577438      70.48690 
1 1 1 0   -4  23 o 116.5930 40.82610 4.735734       3.629376  2.617425       3.658069  18.05430       66.24335 
1 1 1 0   -3  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -3  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -3  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -3  4  o 812.1132 14.34369 145.9139       7.245581  143.9802       7.206442  5.671692       28.73285 
1 1 1 0   -3  5  o 616.4343 13.70017 86.10483       5.339752  81.10083       5.143300  18.42712       27.47728 
1 1 1 0   -3  6  o 210.0811 27.71897 13.35810       3.649112  6.952628       3.411327  69.79996       56.99774 
1 1 1 0   -3  7  o 559.8316 14.71058 61.85445       5.021183  76.72839       5.191460  -60.60516      29.59923 
1 1 1 0   -3  8  o 322.2619 20.73296 25.08445       4.251900  21.37614       4.004508  26.03580       42.06025 
1 1 1 0   -3  9  o 146.2038 41.43721 2.933622       3.964711  7.192608       3.894740  -42.97095      69.88548 
1 1 1 0   -3  10 o 323.5594 28.53823 0.000000       0.000000  23.72924       4.008784  ?              ?        
1 1 1 0   -3  11 o 560.9627 14.73956 72.09351       5.121925  66.65012       5.127245  22.22284       29.60808 
1 1 1 0   -3  12 o 308.4445 18.63638 24.58506       3.700413  18.04954       3.415036  48.29547       37.77914 
1 1 1 0   -3  13 o 1141.970 27.39971 289.7589       13.72467  0.000000       0.000000  ?              ?        
1 1 1 0   -3  14 o 314.5128 21.31349 25.12106       4.148298  18.94208       4.119204  45.63559       43.74768 
1 1 1 0   -3  15 o 299.8638 25.95586 20.30184       4.379577  19.91487       5.316759  5.767883       54.52429 
1 1 1 0   -3  16 o 243.9031 30.73596 13.24485       4.253991  13.95618       4.910930  -4.377319      64.07349 
1 1 1 0   -3  17 o 312.8427 22.86465 19.97076       4.083798  24.75242       4.820291  -32.88000      46.76226 
1 1 1 0   -3  18 o 103.5319 39.42535 3.949888       3.416010  -0.2632121     3.605702  33.69701       63.87880 
1 1 1 0   -3  19 o 356.1124 20.91531 30.79818       4.313971  25.99260       4.951513  35.21536       44.10776 
1 1 1 0   -3  20 o 195.4817 76.21302 13.12101       9.423566  0.000000       0.000000  ?              ?        
1 1 1 0   -3  21 o 198.4223 61.99349 16.70762       8.778759  9.194368       8.185244  41.66882       101.8156 
1 1 1 0   -3  22 o 88.42785 40.09029 -0.4930326     3.359437  0.000000       0.000000  ?              ?        
1 1 1 0   -3  23 o 160.9659 41.23582 4.900280       4.341730  9.200608       3.955960  -43.58749      71.37823 
1 1 1 0   -2  1  o 399.7597 12.36805 0.000000       0.000000  35.13621       2.166102  ?              ?        
1 1 1 0   -2  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -2  3  o 396.5991 11.35912 32.98891       2.773893  36.19073       2.809803  -18.43347      22.77957 
1 1 1 0   -2  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -2  5  o 957.0849 15.54175 176.6394       8.441980  238.0900       10.28199  -143.8995      31.15733 
1 1 1 0   -2  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -2  7  o 169.5400 29.05639 6.615442       3.052068  6.501054       2.850153  1.288071       57.36853 
1 1 1 0   -2  8  o 77.51073 32.81084 -1.987078      2.789203  2.067600       2.663669  -31.62971      54.35107 
1 1 1 0   -2  9  o 350.8680 16.21109 29.22730       3.576084  25.43565       3.464221  24.63403       32.71059 
1 1 1 0   -2  10 o 426.7285 17.01864 31.54140       4.824575  47.20731       4.226451  -87.54227      36.44574 
1 1 1 0   -2  11 o 326.0627 17.88562 23.93532       3.547484  23.21725       3.662785  5.332611       36.18204 
1 1 1 0   -2  12 o 389.8976 16.32715 33.33032       3.842233  33.80760       4.045999  -2.544769      32.87247 
1 1 1 0   -2  13 o 464.9146 15.28309 45.82302       4.319735  49.59599       4.488292  -18.40173      30.68533 
1 1 1 0   -2  14 o 164.7756 31.15462 9.034691       3.071299  3.497900       3.064304  68.33492       57.81660 
1 1 1 0   -2  15 o 788.6667 16.00007 139.7480       7.876369  134.7703       7.779830  14.32446       32.14385 
1 1 1 0   -2  16 o 342.3438 18.79143 27.59520       4.064711  24.50365       3.891539  20.48734       37.95876 
1 1 1 0   -2  17 o 80.29751 34.99048 -0.7006034     3.367115  0.8159820E-01  3.184906  -2.825089      58.84585 
1 1 1 0   -2  18 f 254.8040 23.10827 17.76011       3.699512  11.87338       3.531950  53.83540       48.49173 
1 1 1 0   -2  19 o 207.3383 26.88990 13.37725       3.436821  6.787364       3.320378  73.58379       56.34126 
1 1 1 0   -2  20 o 95.15970 37.91348 -1.859145      3.354958  4.904761       3.369816  -54.45921      60.66198 
1 1 1 0   -2  21 o 177.3860 35.43564 5.417716       3.658290  10.72252       3.876542  -58.19814      66.51823 
1 1 1 0   -2  22 o 78.42826 37.14991 9.050257       9.815927  -4.148252      3.634679  82.27522       78.95341 
1 1 1 0   -2  23 o 137.3590 64.62912 4.599434       10.00216  0.000000       0.000000  ?              ?        
1 1 1 0   -2  24 o 132.9440 49.97433 5.573732       3.954381  0.000000       0.000000  ?              ?        
1 1 1 0   -1  1  f 841.7164 12.80521 150.8250       6.528483  160.9524       6.855575  -27.29785      25.63521 
1 1 1 0   -1  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -1  3  o 491.7514 13.15816 53.16520       2.835644  0.000000       0.000000  ?              ?        
1 1 1 0   -1  4  o 309.0896 10.31488 20.17278       1.966519  21.83819       1.983490  -12.31400      20.69274 
1 1 1 0   -1  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -1  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -1  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -1  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -1  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -1  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   -1  11 o 267.7760 23.39921 16.12574       2.720780  0.000000       0.000000  ?              ?        
1 1 1 0   -1  12 o 461.2930 18.35876 47.07639       3.707261  0.000000       0.000000  ?              ?        
1 1 1 0   -1  13 o 851.0975 15.21146 160.9138       8.082912  158.0630       7.979958  7.567627       30.51575 
1 1 1 0   -1  14 o 594.7294 13.87580 79.99200       5.211316  75.85195       5.031612  15.74664       27.85609 
1 1 1 0   -1  15 o 274.1414 18.79674 16.13675       3.197856  17.23968       3.156835  -9.428925      38.16338 
1 1 1 0   -1  16 o 958.0626 20.69214 171.9961       13.96954  222.9799       11.11057  -128.9254      44.51374 
1 1 1 0   -1  17 o 508.8722 16.00985 55.49004       5.018668  59.05187       5.076723  -15.95898      32.19886 
1 1 1 0   -1  18 o 95.97706 37.46854 -0.2632827E-01 3.151162  3.021698       3.303333  -28.31384      61.56754 
1 1 1 0   -1  19 o 469.1623 24.18494 0.000000       0.000000  49.92863       4.960222  ?              ?        
1 1 1 0   -1  20 o 254.1762 24.64788 14.77188       3.772287  15.14498       3.906271  -2.473801      51.70119 
1 1 1 0   -1  21 o 88.18123 36.90750 1.249256       3.328439  0.3782898      3.446006  5.015816       60.63174 
1 1 1 0   -1  22 o 84.89097 35.84819 2.790119       3.371089  -0.9542687     3.121465  29.46472       58.99024 
1 1 1 0   -1  23 o 199.1418 30.29434 8.457262       3.705672  11.13755       3.548453  -32.88152      63.24064 
1 1 1 0   -1  24 o 145.4182 45.40327 12.47929       10.14007  5.690788       3.386104  19.79649       84.54352 
1 1 1 0   0   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   0   2  o 938.2892 19.84193 187.0050       11.23536  201.5269       11.89002  -34.89746      39.83410 
1 1 1 0   0   3  o 223.9721 5.942513 10.57053       0.8161462 11.47567       0.8339226 -9.218994      11.90442 
1 1 1 0   0   4  o 56.07294 18.53089 0.7510412      0.7484580 0.5637816      0.7498741 4.070423       30.96664 
1 1 1 0   0   5  o 353.2195 7.801894 28.68092       1.735838  26.15453       1.684265  16.30472       15.63760 
1 1 1 0   0   6  o 609.4330 10.31509 81.53316       3.890084  81.55669       3.909104  -0.8154297E-01 20.64168 
1 1 1 0   0   7  o 633.6685 10.86733 89.55065       4.313156  86.87549       4.231423  9.596069       21.75015 
1 1 1 0   0   8  o 418.1538 9.834759 38.05353       2.535981  38.76457       2.566356  -3.865570      19.72279 
1 1 1 0   0   9  o 223.4809 19.84421 0.000000       0.000000  11.13533       1.925046  ?              ?        
1 1 1 0   0   10 o 348.1062 14.38403 24.49321       3.769310  27.98070       2.693683  -25.53729      31.50690 
1 1 1 0   0   11 o 453.7229 17.12341 45.68829       3.401748  0.000000       0.000000  ?              ?        
1 1 1 0   0   12 o 126.7013 29.65110 4.192328       2.114021  3.100440       2.515913  14.04301       53.75961 
1 1 1 0   0   13 o 311.9980 20.77967 0.000000       0.000000  21.60628       2.827544  ?              ?        
1 1 1 0   0   14 o 419.0141 13.64312 39.08374       3.506480  38.24491       3.577455  4.657745       27.39717 
1 1 1 0   0   15 o 208.1017 22.00866 8.599896       2.775697  10.84389       2.821044  -25.29027      45.57415 
1 1 1 0   0   16 o 626.8354 14.35157 90.12241       5.641231  83.22760       5.521590  25.02545       28.83345 
1 1 1 0   0   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   0   18 o 251.5545 20.85764 16.19639       3.303003  12.35333       3.153183  35.23331       42.95116 
1 1 1 0   0   19 o 242.8536 21.60881 12.27227       3.213276  14.40735       3.229478  -20.69217      44.73287 
1 1 1 0   0   20 o 73.61919 32.69529 -0.2352776     2.986225  -0.6799944     2.984150  3.035072       54.95648 
1 1 1 0   0   21 o 254.3034 23.54565 13.30274       3.558514  16.89178       3.797412  -31.78104      49.45638 
1 1 1 0   0   22 o 189.2979 31.14895 5.752515       3.348421  12.70716       3.746089  -76.61140      61.55127 
1 1 1 0   0   23 o 92.83073 38.06457 3.748929       3.500312  -0.6856503     3.500284  31.59113       61.44732 
1 1 1 0   0   24 o 82.20720 36.09223 0.8430982E-01  3.614855  0.7627940      3.468346  -2.718155      58.86742 
1 1 1 0   0   25 o 136.0589 39.58841 9.616352       3.888735  2.356978       3.273724  69.65699       65.29137 
1 1 1 0   1   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   1   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   1   2  o 437.3308 9.777534 47.71745       2.902847  37.88013       2.457448  50.76205       19.62454 
1 1 1 0   1   3  o 689.8534 10.47471 102.9822       4.437630  106.0582       4.528646  -10.13849      20.96147 
1 1 1 0   1   4  o 129.9475 8.408792 3.683411       0.6735961 3.759935       0.6747780 -1.355820      16.96272 
1 1 1 0   1   5  o 290.9992 10.11875 18.61364       1.289611  0.000000       0.000000  ?              ?        
1 1 1 0   1   6  o 990.3395 15.08551 219.9010       9.394505  211.5282       9.145424  19.16833       30.20719 
1 1 1 0   1   7  o 1136.883 24.55865 285.4361       12.24677  0.000000       0.000000  ?              ?        
1 1 1 0   1   8  o 204.0899 11.69236 8.236476       1.461213  10.16315       1.487278  -21.70406      23.66014 
1 1 1 0   1   9  o 178.5855 14.38531 6.900474       1.554176  7.248262       1.607441  -4.393509      29.23165 
1 1 1 0   1   10 o 233.2819 18.13735 12.12339       1.841334  0.000000       0.000000  ?              ?        
1 1 1 0   1   11 o 217.6250 15.05837 11.99317       2.032368  9.088380       2.008453  30.95705       30.86111 
1 1 1 0   1   12 o 387.8666 11.59214 34.86483       2.703505  31.23157       2.876447  21.74158       23.43625 
1 1 1 0   1   13 o 363.8839 12.07292 30.51277       2.661103  27.66914       2.785955  18.05344       24.34263 
1 1 1 0   1   14 o 501.2691 11.74614 57.24086       3.692623  53.32712       3.613529  17.78244       23.56912 
1 1 1 0   1   15 o 1076.537 17.42521 258.7787       11.73357  252.9290       11.54185  12.19861       34.96338 
1 1 1 0   1   16 o 164.1414 24.07105 4.370380       2.392661  7.822273       2.363852  -47.86098      48.86028 
1 1 1 0   1   17 o 109.0782 35.91303 1.246823       2.812704  3.943974       2.816642  -30.14765      59.21711 
1 1 1 0   1   18 o 211.7725 23.68995 10.16555       3.169904  10.11048       2.958641  -0.2922974     49.16314 
1 1 1 0   1   19 o 232.1563 21.23998 16.21149       3.185116  8.836196       2.886735  73.29520       45.02257 
1 1 1 0   1   20 o 266.0190 29.72824 16.56038       3.409595  0.000000       0.000000  ?              ?        
1 1 1 0   1   21 o 221.2505 24.49312 9.968267       3.320388  12.87327       3.290534  -31.95293      52.18474 
1 1 1 0   1   22 o 333.8186 18.25545 29.74542       3.846559  21.32741       3.690019  57.95932       37.79428 
1 1 1 0   1   23 o 122.9487 38.44577 6.018063       3.253675  2.151035       3.257208  39.03671       63.05626 
1 1 1 0   1   24 f 193.2562 28.55911 9.869780       3.434384  8.837191       3.217604  9.509354       60.34057 
1 1 1 0   1   25 o 71.03637 32.55862 0.8362384      3.335382  -1.930038      3.160685  16.65309       54.27423 
1 1 1 0   2   0  o 233.9923 7.296352 12.15997       1.053567  11.89042       1.062031  2.639374       14.62490 
1 1 1 0   2   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   2   2  o 625.4083 11.37243 87.28154       5.466682  85.22717       3.799134  6.509766       24.22112 
1 1 1 0   2   3  o 206.9821 8.929500 9.421016       0.8087948 0.000000       0.000000  ?              ?        
1 1 1 0   2   4  o 754.7955 11.66060 134.6960       5.763416  117.3321       5.199391  52.11005       23.35110 
1 1 1 0   2   5  o 129.7854 10.25486 3.376617       0.8135564 4.075044       0.8243488 -12.47128      20.88175 
1 1 1 0   2   6  o 733.1683 11.53090 118.5808       5.272769  117.5373       5.216185  3.225342       23.07823 
1 1 1 0   2   7  o 347.6009 11.62174 0.000000       0.000000  26.56954       1.769465  ?              ?        
1 1 1 0   2   8  o 97.86263 21.00223 2.258896       1.244159  2.129789       1.229576  2.634148       39.00944 
1 1 1 0   2   9  o 400.6347 9.352667 36.54395       2.399139  34.12521       2.256134  13.67654       18.76399 
1 1 1 0   2   10 o 220.8216 12.35208 9.416676       1.677608  12.15565       1.692992  -28.59192      25.11040 
1 1 1 0   2   11 o 122.1084 23.96320 3.910512       1.785485  3.022564       1.717077  14.95095       45.61621 
1 1 1 0   2   12 o 200.5071 21.25658 9.051520       1.841052  0.000000       0.000000  ?              ?        
1 1 1 0   2   13 o 137.5187 22.73708 5.027515       1.846727  3.537156       1.898090  24.00265       45.05323 
1 1 1 0   2   14 o 514.2394 11.35956 57.00611       3.557775  59.34077       3.693269  -10.26672      22.78810 
1 1 1 0   2   15 o 653.0961 12.64497 90.32385       4.982815  97.80676       5.275384  -25.89624      25.36888 
1 1 1 0   2   16 o 905.8026 15.36267 178.0211       8.495826  184.2764       8.775154  -15.42834      30.82355 
1 1 1 0   2   17 o 361.4366 13.75525 29.24381       3.019022  28.37117       3.141404  5.716370       27.69183 
1 1 1 0   2   18 o 266.9178 16.60865 18.86998       2.839700  13.17405       2.643514  48.77797       33.87387 
1 1 1 0   2   19 o 115.0518 31.74432 3.245016       2.453994  3.029222       2.239270  4.074318       55.16411 
1 1 1 0   2   20 o 93.94337 34.06656 2.258061       2.548580  1.356194       2.568590  9.344551       56.06680 
1 1 1 0   2   21 o 66.72064 30.24851 0.2099834      2.675446  -1.808025      2.734583  12.42534       51.15024 
1 1 1 0   2   22 o 205.6697 23.98539 9.763289       3.011281  10.07962       2.994217  -3.873566      50.71708 
1 1 1 0   2   23 o 177.5777 29.26996 8.518850       3.165941  7.163611       3.060726  15.98381       59.80852 
1 1 1 0   2   24 f 191.2335 27.98093 9.283312       3.324129  8.868598       3.127005  2.442123       59.12843 
1 1 1 0   2   25 o 199.5221 28.97055 10.50983       3.376280  9.688990       3.595880  13.30858       62.03378 
1 1 1 0   3   0  o 727.2126 11.84669 116.8521       5.358238  115.4529       5.330081  4.378662       23.71035 
1 1 1 0   3   1  o 205.5498 8.190738 10.65125       1.092748  8.149196       0.9982213 27.68159       16.45225 
1 1 1 0   3   2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   3   3  o 337.8293 10.85716 25.08661       1.606757  0.000000       0.000000  ?              ?        
1 1 1 0   3   4  o 103.5596 16.72498 2.204615       0.9054007 2.828055       1.252916  -12.83504      33.94597 
1 1 1 0   3   5  o 659.6630 10.73888 100.3233       4.544734  91.36335       4.258017  30.84198       21.49437 
1 1 1 0   3   6  o 72.43440 21.05186 1.621904       1.035037  0.7870482      0.9720313 17.85992       35.71487 
1 1 1 0   3   7  o 404.0598 8.532635 33.73886       2.090281  38.14078       2.190596  -24.80771      17.10126 
1 1 1 0   3   8  o 172.1689 12.35185 6.977474       1.349948  6.165545       1.274156  10.74840       24.99000 
1 1 1 0   3   9  o 403.4741 9.248794 35.70419       2.335737  35.81349       2.294453  -0.6497192     18.55041 
1 1 1 0   3   10 o 377.0507 9.748658 32.15918       2.336110  30.48755       2.224438  10.00964       19.55130 
1 1 1 0   3   11 o 170.9116 16.51426 5.564976       1.770412  7.409370       1.690474  -25.85704      34.65447 
1 1 1 0   3   12 o 278.0204 16.93510 17.19429       2.055421  0.000000       0.000000  ?              ?        
1 1 1 0   3   13 o 234.1026 13.36363 12.03528       1.925096  12.18902       1.940165  -1.484802      26.95530 
1 1 1 0   3   14 o 129.2696 23.16758 3.093055       1.812994  4.492597       1.766967  -23.15204      44.94192 
1 1 1 0   3   15 o 438.9680 11.32231 41.07956       3.051778  43.76772       3.110054  -13.94614      22.70300 
1 1 1 0   3   16 o 659.8467 12.58013 94.19659       5.108602  97.62305       5.190900  -11.78021      25.24476 
1 1 1 0   3   17 o 273.5279 15.09104 16.54944       2.592277  16.55937       2.510965  -0.2423706     30.46587 
1 1 1 0   3   18 o 543.6975 12.93720 66.78285       4.411859  63.59661       4.316289  13.28149       25.99178 
1 1 1 0   3   19 o 111.9145 31.95736 3.889655       2.383624  2.077041       2.276794  24.83827       54.48822 
1 1 1 0   3   20 o 60.06741 27.36729 1.050771       2.278320  -2.693250      2.219006  29.03824       47.05579 
1 1 1 0   3   21 o 66.63219 29.15903 0.9821761      2.363745  -1.154550      2.228938  19.58559       48.99874 
1 1 1 0   3   22 o 184.2843 22.20844 7.943033       2.575143  7.888411       2.408502  -0.8319702     46.79565 
1 1 1 0   3   23 o 202.0947 23.33151 10.45835       2.905907  8.942445       2.837863  17.37093       49.69804 
1 1 1 0   3   24 o 90.22025 34.59715 3.490543       2.804924  0.3741896      2.629527  29.77457       55.95060 
1 1 1 0   3   25 o 103.9698 36.28268 3.668149       2.961691  2.334595       2.797936  13.27875       59.06961 
1 1 1 0   3   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   4   0  o 272.5691 13.69476 16.22388       2.615373  16.45666       2.088646  -2.540100      28.32937 
1 1 1 0   4   1  o 284.3714 10.95926 16.09285       2.329695  18.66645       1.683357  -21.56277      23.83640 
1 1 1 0   4   2  o 252.9338 13.51392 0.000000       0.000000  14.09732       1.493860  ?              ?        
1 1 1 0   4   3  o 368.8179 9.083853 27.44538       1.955195  32.99200       2.227915  -34.05164      18.22794 
1 1 1 0   4   4  o 180.3073 11.30999 8.510927       1.273050  5.883637       1.244692  33.63777       23.17207 
1 1 1 0   4   5  o 897.2819 14.18849 180.6015       8.032350  173.5382       7.768930  17.83246       28.40991 
1 1 1 0   4   6  o 479.3333 13.84299 50.53587       2.907459  0.000000       0.000000  ?              ?        
1 1 1 0   4   7  o 330.2374 9.234999 22.08167       1.853957  25.99403       1.928147  -27.00876      18.52269 
1 1 1 0   4   8  o 653.7856 11.31172 91.36650       4.535253  96.58817       4.641688  -18.16510      22.64460 
1 1 1 0   4   9  o 161.6526 14.81982 5.662810       1.478891  5.939530       1.460403  -4.060516      30.28350 
1 1 1 0   4   10 o 559.9945 10.62571 69.56471       3.758115  68.46439       3.627583  4.350220       21.32061 
1 1 1 0   4   11 o 172.9360 22.35838 0.000000       0.000000  6.786784       1.656352  ?              ?        
1 1 1 0   4   12 o 184.4370 19.32739 9.191685       1.841468  4.048398       2.811137  69.94658       47.56567 
1 1 1 0   4   13 o 345.3423 11.37745 27.05193       2.497439  25.57239       2.375132  9.646332       22.84505 
1 1 1 0   4   14 o 340.6429 11.35070 25.07550       2.433297  25.97920       2.358728  -6.152802      22.80403 
1 1 1 0   4   15 o 149.9497 20.72957 5.858418       1.993868  4.435855       1.777990  21.24419       42.23076 
1 1 1 0   4   16 o 70.08337 28.17476 1.718711       1.953656  -0.4818574     1.803430  27.24459       46.64079 
1 1 1 0   4   17 o 465.2115 11.79280 47.06593       3.433580  48.26527       3.368218  -5.979584      23.67058 
1 1 1 0   4   18 o 375.2393 13.74594 32.04790       3.278874  30.22820       3.115798  10.85339       27.64249 
1 1 1 0   4   19 o 117.6923 29.74746 4.571158       2.322371  2.254395       2.048290  34.48361       52.20071 
1 1 1 0   4   20 o 204.8302 18.97753 10.37706       2.481451  8.693050       2.296977  18.38582       39.13784 
1 1 1 0   4   21 o 303.2131 14.87770 23.99289       2.916507  17.67321       2.678281  47.02771       30.24969 
1 1 1 0   4   22 o 130.4565 30.14593 3.388224       2.411643  5.035635       2.370056  -22.99550      54.76185 
1 1 1 0   4   23 o 177.0419 23.68081 6.985280       2.500702  7.982699       2.571854  -12.60658      49.87794 
1 1 1 0   4   24 o 153.4250 26.90080 5.286608       2.569685  6.379280       2.375587  -17.51581      54.03532 
1 1 1 0   4   25 o 184.9738 24.39826 8.555789       2.860514  8.342852       2.618212  -1.194550      52.59211 
1 1 1 0   4   26 o 90.93604 35.11016 1.769433       2.907137  2.400875       2.717335  -4.422150      56.28056 
1 1 1 0   5   0  o 85.21107 31.10822 0.4967628      2.136861  2.114263       2.140072  -19.15926      51.21900 
1 1 1 0   5   1  o 518.8638 10.90035 59.49070       3.511587  58.74458       3.505240  3.281616       21.84844 
1 1 1 0   5   2  o 523.7903 14.79365 0.000000       0.000000  60.35630       3.395461  ?              ?        
1 1 1 0   5   3  o 675.8099 12.13400 104.3040       5.154531  96.54212       5.021674  26.36755       24.30357 
1 1 1 0   5   4  o 127.1727 18.32743 2.831427       1.312847  4.701994       1.517553  -32.92146      36.89315 
1 1 1 0   5   5  o 249.8472 11.05497 16.12972       1.776038  11.67062       1.649232  40.68889       22.30052 
1 1 1 0   5   6  o 564.7441 11.09656 68.17969       3.839482  72.00756       3.937102  -15.42694      22.23901 
1 1 1 0   5   7  o 674.6945 16.80434 0.000000       0.000000  100.1975       4.973130  ?              ?        
1 1 1 0   5   8  o 272.9405 11.09742 15.81283       1.844193  17.02064       1.907388  -10.07034      22.28355 
1 1 1 0   5   9  f 230.8805 12.12674 11.82122       1.763525  11.69992       1.699644  1.107437       24.43019 
1 1 1 0   5   10 f 515.5786 10.78743 56.92850       3.428571  60.11311       3.471999  -14.07318      21.64833 
1 1 1 0   5   11 o 58.20349 26.80231 0.000000       0.000000  -1.134594      1.580019  ?              ?        
1 1 1 0   5   12 o 412.3920 10.91093 39.27495       2.899972  35.97628       2.689382  17.94525       21.91247 
1 1 1 0   5   13 o 458.3481 15.89230 0.000000       0.000000  46.45501       3.190259  ?              ?        
1 1 1 0   5   14 o 529.6149 11.38797 60.71280       3.733052  62.65553       3.749609  -8.370911      22.84520 
1 1 1 0   5   15 o 592.0831 11.94437 77.01044       4.436884  77.20920       4.338658  -0.8571777     23.96563 
1 1 1 0   5   16 o 263.3142 13.60351 14.34939       2.252078  16.22886       2.178657  -16.58810      27.54816 
1 1 1 0   5   17 o 283.7912 13.58681 17.77804       2.464143  17.81606       2.312835  -0.5886230     27.42504 
1 1 1 0   5   18 o 263.5744 15.24005 15.49866       2.580854  15.29679       2.392144  1.351379       30.86373 
1 1 1 0   5   19 o 332.4973 13.70561 23.35562       2.869449  25.52475       2.774524  -15.22919      27.69764 
1 1 1 0   5   20 o 403.8641 14.74352 34.26767       3.216969  40.10759       4.451640  -29.01807      30.71632 
1 1 1 0   5   21 o 103.5276 30.93353 1.920350       2.211402  3.158769       2.072722  -15.73506      52.22933 
1 1 1 0   5   22 o 196.9486 19.48785 9.112247       2.417463  8.782948       2.287290  2.822403       40.80860 
1 1 1 0   5   23 o 317.2873 14.68669 22.85465       2.885807  22.63094       2.879785  1.599213       29.92329 
1 1 1 0   5   24 f 139.2628 28.93832 5.733743       2.528568  4.319703       2.321101  18.19667       55.10742 
1 1 1 0   5   25 o 194.9250 21.76940 10.55352       2.716608  8.000987       2.475003  28.12987       46.84047 
1 1 1 0   5   26 o 92.84126 33.06562 1.541579       2.494935  3.000355       2.311714  -14.29489      53.35934 
1 1 1 0   6   0  o 477.5772 12.87289 48.36959       3.757605  52.02109       3.864918  -17.40616      25.80239 
1 1 1 0   6   1  o 288.5712 13.32836 19.83985       2.428305  16.94742       2.333377  22.88766       26.81043 
1 1 1 0   6   2  o 640.6730 17.16786 0.000000       0.000000  90.36629       4.820170  ?              ?        
1 1 1 0   6   3  o 501.9150 11.40180 56.79313       3.697971  54.07409       3.418355  12.21573       22.89499 
1 1 1 0   6   4  o 481.0558 11.60543 53.10098       3.476831  48.58918       3.449656  21.42191       23.29188 
1 1 1 0   6   5  o 631.4207 14.11860 88.80289       4.775122  85.26463       6.813030  14.22052       30.38050 
1 1 1 0   6   6  o 238.6692 12.91633 12.86161       1.919826  12.25793       1.890816  5.779114       26.00443 
1 1 1 0   6   7  o 219.6712 13.88021 9.151662       1.903458  12.08971       1.860746  -31.07269      28.45262 
1 1 1 0   6   8  o 232.2487 13.24051 10.68739       1.930273  13.04621       1.870419  -23.55791      26.94826 
1 1 1 0   6   9  o 479.7750 11.05357 50.09907       3.361133  51.11192       3.222636  -4.965790      22.21119 
1 1 1 0   6   10 o 195.0012 16.29841 8.282277       1.953855  8.655604       1.953132  -4.474335      33.25471 
1 1 1 0   6   11 o 167.6986 39.93573 0.000000       0.000000  6.810495       2.895304  ?              ?        
1 1 1 0   6   12 o 223.3139 15.34815 12.55512       2.157169  9.741997       2.071800  28.95834       31.30060 
1 1 1 0   6   13 o 200.7953 16.80970 9.280018       2.091569  8.677122       2.057993  6.907242       34.28246 
1 1 1 0   6   14 o 467.2929 11.44319 49.30481       3.405370  46.86575       3.235271  11.76910       22.97474 
1 1 1 0   6   15 o 218.1936 15.75832 9.115849       2.195114  11.80168       2.049421  -29.10170      32.71663 
1 1 1 0   6   16 o 264.5350 14.32864 15.18041       2.336125  15.77743       2.348934  -5.174713      28.90238 
1 1 1 0   6   17 o 124.7926 31.61811 6.512698       3.271703  2.538146       2.042341  56.34982       57.36302 
1 1 1 0   6   18 o 376.0438 12.60501 31.67603       3.045181  30.77905       2.838118  5.148865       25.36331 
1 1 1 0   6   19 o 356.0325 13.05020 26.80711       2.941003  29.16630       2.817597  -15.49603      26.36127 
1 1 1 0   6   20 o 239.6136 16.08195 14.41424       2.507534  11.55384       2.264134  26.65959       32.72015 
1 1 1 0   6   21 o 209.9906 18.24622 8.212307       2.366790  11.74293       2.339860  -40.14638      38.62971 
1 1 1 0   6   22 o 127.2843 28.73843 3.967372       2.274259  4.061275       2.160520  -1.688622      53.10302 
1 1 1 0   6   23 o 267.0054 15.87043 16.80157       2.735149  15.70509       2.512493  7.886017       32.57601 
1 1 1 0   6   24 o 141.3075 27.69874 5.149758       2.482262  4.987276       2.221610  -0.6372070E-01 54.00188 
1 1 1 0   6   25 o 153.6239 26.60079 6.033542       2.513849  5.916589       2.378166  -0.1057129     53.99156 
1 1 1 0   6   26 o 69.65933 30.10911 -1.535710      2.434458  2.357427       2.334313  -28.46818      48.86095 
1 1 1 0   7   0  o 317.2881 16.40446 20.88404       3.229958  23.51177       3.205718  -19.08640      33.10965 
1 1 1 0   7   1  o 537.7928 12.95868 64.39159       4.372684  62.75113       4.275106  6.911316       25.99705 
1 1 1 0   7   2  o 163.8687 22.50163 5.408565       2.344230  6.544655       2.125732  -16.55931      46.35279 
1 1 1 0   7   3  o 333.0818 13.51899 21.45070       2.911405  26.93787       2.678102  -38.22412      27.71027 
1 1 1 0   7   4  o 336.1588 12.98500 26.17713       2.781278  23.70137       2.630282  16.72049       26.06749 
1 1 1 0   7   5  o 365.7975 12.68502 32.03694       2.762771  26.38184       2.999900  35.78027       25.87998 
1 1 1 0   7   6  o 1072.576 17.51534 242.2380       11.28864  266.1237       12.05657  -50.20349      35.11292 
1 1 1 0   7   7  o 282.5626 13.74576 15.61240       2.303001  19.98383       2.515247  -35.14081      27.67802 
1 1 1 0   7   8  o 236.2199 14.72449 11.38777       2.158456  13.27020       2.135490  -18.46605      29.87396 
1 1 1 0   7   9  o 340.7165 12.12588 24.32470       2.596217  26.79802       2.522881  -16.76105      24.43447 
1 1 1 0   7   10 o 480.1219 11.87837 50.75707       3.623432  50.87902       3.457833  -0.8463135     23.89970 
1 1 1 0   7   11 o 72.93551 29.21117 1.266397       2.111588  0.1314037      1.915703  15.30173       48.50170 
1 1 1 0   7   12 o 388.2179 12.34484 32.95856       2.989325  33.61070       2.949278  -3.926880      24.81837 
1 1 1 0   7   13 o 350.2670 13.19357 25.18937       2.842593  29.00926       2.880886  -24.95947      26.56651 
1 1 1 0   7   14 o 307.1547 13.13073 19.44102       2.486167  22.19171       2.506118  -20.53040      26.44817 
1 1 1 0   7   15 o 419.5671 12.03787 37.08024       3.118504  40.47606       3.141243  -18.49747      24.16795 
1 1 1 0   7   16 f 214.7064 23.34819 0.000000       0.000000  10.38184       2.163500  ?              ?        
1 1 1 0   7   17 o 326.4915 13.39299 22.51708       2.800801  24.45597       2.621518  -13.98386      27.11255 
1 1 1 0   7   18 o 433.9153 12.86162 41.31012       3.508340  41.76378       3.409952  -2.545898      25.84672 
1 1 1 0   7   19 o 242.9844 17.19471 14.84422       2.829607  12.00253       2.378678  25.42731       35.05274 
1 1 1 0   7   20 o 270.4103 15.25346 16.78930       2.673743  15.91638       2.438931  6.587830       30.99047 
1 1 1 0   7   21 o 292.2133 14.60633 16.74085       2.668835  21.36332       2.610602  -37.03210      29.98243 
1 1 1 0   7   22 o 107.2548 31.02033 2.961202       2.210694  2.835309       2.151611  1.859848       53.13757 
1 1 1 0   7   23 o 65.07055 28.54654 0.8208812      2.380700  -0.6894842     2.071862  16.55270       47.88804 
1 1 1 0   7   24 o 138.8566 31.40824 6.430512       3.533609  4.570229       2.200722  13.14502       60.59126 
1 1 1 0   7   25 o 131.7098 29.64056 3.791493       2.594819  5.140807       2.183995  -21.37273      54.59509 
1 1 1 0   7   26 o 99.34633 32.50700 2.553824       2.449082  2.966676       2.188046  -4.516922      53.52850 
1 1 1 0   8   0  o 847.1978 22.59714 0.000000       0.000000  158.7110       8.389799  ?              ?        
1 1 1 0   8   1  o 205.1808 22.79992 8.956100       2.847787  9.870022       2.858207  -10.46460      46.95246 
1 1 1 0   8   2  f 208.5957 21.46119 13.58346       2.977656  6.861011       2.547291  73.53529       44.78167 
1 1 1 0   8   3  o 289.4999 21.23919 0.000000       0.000000  18.59135       2.678271  ?              ?        
1 1 1 0   8   4  o 196.9928 22.45470 6.864884       3.111820  9.769196       2.410526  -36.81145      49.74212 
1 1 1 0   8   5  o 118.4303 31.51481 2.043358       2.317882  4.501538       2.395444  -34.07738      54.16396 
1 1 1 0   8   6  o 322.2221 14.82679 21.75299       2.774600  24.41404       3.177500  -18.37903      29.91833 
1 1 1 0   8   7  o 194.0664 19.87657 8.811765       2.232080  7.902764       2.510459  11.94440       41.53064 
1 1 1 0   8   8  o 259.9670 15.90832 14.14907       2.433265  15.98214       2.692676  -15.69382      32.18141 
1 1 1 0   8   9  o 338.6212 13.62974 21.32524       2.810269  29.64118       2.906413  -56.26157      27.68607 
1 1 1 0   8   10 o 543.4924 12.77401 66.72615       4.501493  63.95122       4.135051  11.00745       25.73947 
1 1 1 0   8   11 o 211.9703 19.17464 9.975117       2.655793  10.18634       2.358621  -3.659149      39.80439 
1 1 1 0   8   12 o 315.7777 14.09250 22.10504       2.856317  22.04744       2.661100  -0.7019043E-02 28.46890 
1 1 1 0   8   13 o 224.0642 19.14939 12.08856       2.753626  10.43900       2.532472  16.50926       39.10935 
1 1 1 0   8   14 o 123.1936 30.26143 4.105652       2.441679  3.069092       2.172873  15.92434       54.18644 
1 1 1 0   8   15 o 286.9692 15.20265 17.90791       2.796759  18.47582       2.606508  -4.907623      30.77721 
1 1 1 0   8   16 o 439.8968 17.93857 0.000000       0.000000  42.92364       3.454044  ?              ?        
1 1 1 0   8   17 f 72.87607 30.07200 0.9229483      2.218292  -0.1035095     2.187589  10.45834       50.01587 
1 1 1 0   8   18 o 289.3788 15.41920 19.00011       2.870375  18.18523       2.657640  6.002625       31.17979 
1 1 1 0   8   19 o 317.4783 14.80669 22.23215       3.029009  22.50004       2.800374  -2.569489      30.00364 
1 1 1 0   8   20 o 81.67135 31.95210 1.344317       2.371911  0.7729290      2.326905  6.346596       52.62790 
1 1 1 0   8   21 o 231.8001 17.93694 12.28280       2.713761  12.09560       2.428200  0.7200623E-01  37.13027 
1 1 1 0   8   22 o 153.6805 25.42920 7.092791       2.516740  4.652047       2.195088  32.33598       51.19747 
1 1 1 0   8   23 o 234.5812 17.35470 11.95956       2.604813  13.22879       2.420328  -14.58704      36.32129 
1 1 1 0   8   24 o 59.60485 27.14084 -0.1021830     2.453578  -0.7850903     2.022362  10.79806       45.87138 
1 1 1 0   8   25 f 98.52029 32.02018 4.139590       2.486948  1.613960       2.055821  30.55765       53.19938 
1 1 1 0   8   26 o 93.31962 32.14605 3.094058       2.460818  1.966469       2.092719  12.96364       52.68541 
1 1 1 0   9   0  o 270.6338 20.69059 14.30928       3.462240  18.25286       3.432343  -34.09401      42.56152 
1 1 1 0   9   1  o 186.1501 27.94474 8.558845       3.234268  7.273070       3.030316  15.26749       56.53346 
1 1 1 0   9   2  o 127.5131 35.30154 5.903397       3.021858  1.953135       2.769574  49.39793       59.54022 
1 1 1 0   9   3  o 88.46185 34.93583 3.003585       3.352581  -0.1007129     2.495915  40.53439       59.16742 
1 1 1 0   9   4  o 74.61922 31.67156 1.444243       2.676224  -1.063017      2.439793  25.60187       53.28660 
1 1 1 0   9   5  o 127.5822 31.65445 1.465943       2.567834  5.846075       2.424642  -56.72390      53.45828 
1 1 1 0   9   6  f 216.0908 21.20315 10.50552       2.632022  10.35347       3.018868  2.892975       44.07939 
1 1 1 0   9   7  o 254.5569 22.30339 13.93205       2.769130  16.70887       5.412219  -15.74010      54.89644 
1 1 1 0   9   8  o 147.1287 36.82677 5.145693       2.370840  0.000000       0.000000  ?              ?        
1 1 1 0   9   9  o 181.1027 23.75327 6.013221       2.315020  9.990365       3.038561  -46.88803      48.84354 
1 1 1 0   9   10 o 370.1680 16.46314 27.59091       3.314774  35.78033       4.488199  -46.78143      33.78152 
1 1 1 0   9   11 o 418.8261 15.49476 37.47869       4.838969  39.68843       3.510762  -15.68237      33.30517 
1 1 1 0   9   12 o 749.0920 14.66721 121.9801       6.843675  125.8621       6.787707  -11.96405      29.48778 
1 1 1 0   9   13 o 1043.148 17.65533 244.8310       11.59699  236.4011       11.25953  18.01392       35.45026 
1 1 1 0   9   14 o 149.1835 28.35970 6.686569       2.854382  4.120360       2.293692  35.36626       54.44174 
1 1 1 0   9   15 o 495.8008 13.89303 48.41373       4.212403  60.35938       4.327244  -55.02591      27.99850 
1 1 1 0   9   16 o 244.2958 18.13204 14.74165       2.858753  12.09626       2.613989  24.38368       36.89433 
1 1 1 0   9   17 o 469.4442 13.68063 49.74506       4.089860  47.71435       3.877859  9.551819       27.50455 
1 1 1 0   9   18 o 237.9823 20.57952 11.43137       3.183914  13.71951       2.858756  -23.97151      43.26831 
1 1 1 0   9   19 o 210.3994 20.54078 8.947989       2.653403  11.04278       2.640204  -23.66827      42.78101 
1 1 1 0   9   20 o 146.3979 32.13264 4.715703       2.551275  5.984469       3.249433  -15.22293      60.40040 
1 1 1 0   9   21 o 108.1836 31.78318 3.696765       2.486679  2.291685       2.106803  19.98729       54.43257 
1 1 1 0   9   22 o 224.5157 18.38928 11.32715       2.665844  11.85257       2.428143  -7.853210      38.61697 
1 1 1 0   9   23 o 190.0502 22.17457 6.702311       2.673610  10.19778       2.468889  -47.20277      48.57621 
1 1 1 0   9   24 o 77.91339 31.38779 2.900952       2.521518  -0.1239601     2.178120  30.73470       51.28535 
1 1 1 0   9   25 o 98.24621 33.02890 0.7164198      2.540155  4.202562       2.243528  -36.56599      52.41678 
1 1 1 0   9   26 o 52.86991 25.13797 0.7393394      2.475580  -2.712820      2.073784  24.68370       43.94496 
1 1 1 0   10  0  o 137.5563 38.54331 1.443022       3.449496  7.396494       3.390805  -63.95807      63.17652 
1 1 1 0   10  1  o 139.8541 37.88531 4.563268       3.488924  4.657864       3.257832  -0.7391357E-01 66.09290 
1 1 1 0   10  2  o 144.8992 35.86379 3.096598       3.333174  6.536677       3.092456  -39.69479      62.66913 
1 1 1 0   10  3  o 102.5443 38.36242 1.363393       4.077152  2.113370       2.829093  7.343117       64.41442 
1 1 1 0   10  4  o 90.28032 34.83021 0.8502433      3.017669  1.554447       2.560842  -0.6722107     57.67243 
1 1 1 0   10  5  f 102.9927 34.50313 1.818413       2.730534  2.672262       2.478345  -7.195518      57.41388 
1 1 1 0   10  6  o 146.6745 31.37592 5.833126       2.902349  4.372752       2.651428  19.57838       58.42408 
1 1 1 0   10  7  o 180.4996 27.00331 8.909651       2.748697  5.597107       3.154497  42.83719       55.52834 
1 1 1 0   10  8  o 53.52696 25.99148 -2.361310      2.483390  -4.358057      3.020156  -0.8481598E-01 46.41875 
1 1 1 0   10  9  o 360.4544 21.56922 29.20102       3.394650  0.000000       0.000000  ?              ?        
1 1 1 0   10  10 o 162.4467 28.96824 7.565197       2.658888  4.396749       2.995091  41.91954       56.41307 
1 1 1 0   10  11 o 114.6297 35.36101 -0.2290330     2.762470  6.314174       2.766407  -74.08743      54.87320 
1 1 1 0   10  12 o 370.2445 15.11326 31.49912       3.672404  29.35808       3.287084  12.57681       30.51021 
1 1 1 0   10  13 o 229.5213 24.17805 12.09506       3.081297  11.44347       3.817157  9.285614       51.51690 
1 1 1 0   10  14 o 663.1119 14.30236 97.10771       5.990600  96.74031       5.781305  1.009766       28.74051 
1 1 1 0   10  15 o 587.5984 14.22262 74.55582       5.289495  77.65946       5.084832  -12.40674      28.64220 
1 1 1 0   10  16 o 430.6502 14.40827 42.05803       4.135451  40.22923       3.605971  8.712463       29.18230 
1 1 1 0   10  17 o 392.1850 15.97375 32.51384       4.075796  35.37854       3.706408  -17.62817      32.51400 
1 1 1 0   10  18 o 324.2063 17.79804 24.87154       3.818184  22.27572       3.357421  17.13736       36.13486 
1 1 1 0   10  19 o 260.8611 18.30915 16.48510       3.033123  14.18279       2.862161  19.83607       37.35686 
1 1 1 0   10  20 o 168.4524 25.63898 6.094494       2.769880  7.088984       2.449093  -15.48817      52.79905 
1 1 1 0   10  21 o 89.12172 33.37938 -0.7356192     2.606816  3.628485       2.387769  -41.21973      52.92486 
1 1 1 0   10  22 o 210.0067 21.33006 11.75107       2.953269  9.338683       2.567441  23.05960       45.24137 
1 1 1 0   10  23 f 263.6380 17.77096 16.29746       3.025882  15.88710       2.769660  1.008896       37.00404 
1 1 1 0   10  24 o 61.75131 28.16496 0.1970697      2.596163  -0.9513185     2.225069  12.09424       47.27211 
1 1 1 0   10  25 o 72.78781 31.13739 4.591409       2.823102  -1.764094      2.265427  55.54202       51.87191 
1 1 1 0   10  26 o 93.13245 35.44165 1.320108       2.587183  4.474500       3.165283  -26.83226      56.97410 
1 1 1 0   11  0  o 200.5176 40.42466 10.96483       4.864887  8.375372       4.843991  25.99924       76.81820 
1 1 1 0   11  1  o 88.14159 39.02807 -4.254032      4.148926  3.196989       4.299557  -46.19805      65.90988 
1 1 1 0   11  2  o 90.39384 39.43793 0.7969533      4.415831  -1.124460      3.957201  17.27652       66.45593 
1 1 1 0   11  3  o 355.9169 55.67496 31.48062       8.407171  0.000000       0.000000  ?              ?        
1 1 1 0   11  4  o 111.0282 39.71021 -4.428303      3.925772  6.977949       3.131911  -86.65488      57.80532 
1 1 1 0   11  5  o 110.6197 39.05508 -0.7052815     3.975726  4.366197       2.934840  -34.69859      62.60534 
1 1 1 0   11  6  o 326.8423 20.94509 23.28575       3.819855  24.98857       4.791937  -8.599579      43.53191 
1 1 1 0   11  7  o 121.8551 35.24701 2.428771       2.798068  4.642737       2.832469  -26.73156      59.80818 
1 1 1 0   11  8  o 83.83901 34.68401 -0.1945404     2.693875  1.800272       3.269865  -24.06488      58.19241 
1 1 1 0   11  9  o 91.88078 35.41285 1.852779       2.539732  0.6354387      3.319098  1.675201       58.59355 
1 1 1 0   11  10 o 231.1849 29.69559 12.30930       2.941830  0.000000       0.000000  ?              ?        
1 1 1 0   11  11 o 159.8761 31.50668 4.508574       2.834994  7.854432       3.230609  -42.29364      59.46754 
1 1 1 0   11  12 o 310.1273 18.31687 19.68079       3.409625  23.21979       3.615583  -25.88394      37.06029 
1 1 1 0   11  13 o 290.2520 25.87815 18.91537       3.260138  0.000000       0.000000  ?              ?        
1 1 1 0   11  14 o 220.8452 32.07972 11.19951       3.016739  0.000000       0.000000  ?              ?        
1 1 1 0   11  15 f 478.7267 22.37884 51.19787       4.686224  0.000000       0.000000  ?              ?        
1 1 1 0   11  16 o 305.4366 18.06372 21.43674       3.654216  20.27579       3.204382  7.487946       36.81851 
1 1 1 0   11  17 o 101.4823 37.01740 2.787319       3.300480  1.432012       2.812092  18.38847       61.47232 
1 1 1 0   11  18 o 215.2991 25.31933 8.937022       3.603668  11.79821       3.089310  -34.37067      54.56589 
1 1 1 0   11  19 o 254.2630 20.87469 14.24647       3.501021  14.94847       3.068550  -8.882004      43.65855 
1 1 1 0   11  20 f 62.80349 30.13254 0.000000       0.000000  -2.965178      2.396386  ?              ?        
1 1 1 0   11  21 o 259.3743 19.57581 16.67571       3.340325  14.49329       2.948938  16.63805       40.60723 
1 1 1 0   11  22 o 102.6983 35.10791 2.240798       2.875966  3.118957       2.532181  -7.619385      57.53745 
1 1 1 0   11  23 f 81.43185 32.68377 2.801952       2.790180  0.2518659      2.311810  26.49640       53.64156 
1 1 1 0   11  24 o 121.7974 33.02002 3.437149       2.906061  4.652070       2.309327  -17.16368      57.01221 
1 1 1 0   11  25 o 84.27089 33.05540 -0.2466805E-01 2.759703  3.079754       2.332979  -23.78028      52.14437 
1 1 1 0   11  26 f 107.0823 34.80499 0.8894803      2.911991  5.526294       2.444159  -46.12277      54.13864 
1 1 1 0   12  0  o 131.6643 54.71298 -1.085793      8.077294  3.946229       6.809228  -15.14676      89.79415 
1 1 1 0   12  1  o 133.5970 55.13382 3.821447       8.356546  1.235547       6.719009  24.11638       91.52893 
1 1 1 0   12  2  o 108.3947 49.36808 2.219257       8.856560  -4.357831      6.361801  46.53940       86.49445 
1 1 1 0   12  3  o 118.6070 47.60114 2.262245       4.964785  1.862302       5.814632  -4.551743      78.42862 
1 1 1 0   12  4  o 141.1241 48.99249 1.839908       6.796555  5.743997       4.420833  -12.94930      81.14118 
1 1 1 0   12  5  o 115.3761 48.99617 0.000000       0.000000  0.9506121      4.318851  ?              ?        
1 1 1 0   12  6  o 100.7459 42.33553 2.517646       5.612444  -0.6146681E-01 3.840468  33.61767       72.52030 
1 1 1 0   12  7  o 122.1396 45.00779 4.170287       5.040751  2.348370       4.091913  21.15874       74.67537 
1 1 1 0   12  8  o 177.2272 35.60984 8.958248       4.424185  6.642415       3.352612  23.99208       68.80783 
1 1 1 0   12  9  o 214.5573 27.29226 11.30653       3.262270  9.394090       3.931296  24.06252       58.20411 
1 1 1 0   12  10 o 286.1517 21.97494 17.68405       3.330903  19.66715       4.802898  -11.20602      47.43501 
1 1 1 0   12  11 o 227.1864 24.79412 12.71091       3.119970  9.965359       3.877220  31.62570       54.18681 
1 1 1 0   12  12 o 205.5159 27.99096 8.513780       3.268449  11.01889       3.728378  -26.69936      57.41464 
1 1 1 0   12  13 o 144.6385 44.11594 4.871694       3.053356  0.000000       0.000000  ?              ?        
1 1 1 0   12  14 o 311.5988 18.39255 21.05300       3.432096  22.19731       3.657233  -7.926300      37.26062 
1 1 1 0   12  15 o 381.8261 16.56635 29.34565       3.972491  35.20758       3.858940  -35.71976      33.69062 
1 1 1 0   12  16 f 357.4616 17.58007 31.78740       4.136891  25.75496       3.676283  37.55124       35.53402 
1 1 1 0   12  17 o 204.6551 27.76374 6.594695       3.665431  11.97566       3.241248  -62.62167      58.55453 
1 1 1 0   12  18 o 197.1069 29.14063 9.617543       3.682255  8.616668       3.266488  9.443283       59.95238 
1 1 1 0   12  19 o 121.0897 37.73044 3.227592       3.368710  3.837877       2.949611  -4.429184      63.51553 
1 1 1 0   12  20 o 228.7415 24.87092 9.240642       3.602453  14.86848       3.355242  -62.07187      54.81160 
1 1 1 0   12  21 o 78.50832 33.60840 0.4603693      3.287683  0.4787800      2.645548  6.951637       55.63520 
1 1 1 0   12  22 o 114.8763 36.01571 5.623740       3.222294  2.302357       2.590131  35.94859       60.46944 
1 1 1 0   12  23 o 153.9649 31.58623 7.039163       3.331892  5.872394       2.624158  6.618607       61.51732 
1 1 1 0   12  24 o 151.7912 30.97156 6.913355       3.278122  5.986717       2.508601  0.6839447      60.70167 
1 1 1 0   12  25 o 89.05041 34.04958 2.028445       3.065950  2.331053       2.328891  -0.2399292     54.50891 
1 1 1 0   12  26 o 57.76667 27.47099 -0.6536647E-01 3.158869  -1.740745      2.378568  15.07824       46.53277 
1 1 1 0   13  0  o 458.7081 22.15648 48.97144       6.255008  44.50004       6.317244  22.61969       44.84220 
1 1 1 0   13  1  o 184.5074 42.89015 4.825101       5.110859  10.73794       4.566029  -56.14429      75.96616 
1 1 1 0   13  2  o 216.2090 35.02968 7.737947       4.878582  13.25339       4.259262  -57.63525      70.37500 
1 1 1 0   13  3  o 105.3915 42.56360 2.746011       5.552134  0.7799975      3.631909  32.70447       73.00902 
1 1 1 0   13  4  o 163.1898 52.97103 3.211840       6.492748  8.972224       5.828257  -39.40871      86.95856 
1 1 1 0   13  5  o 298.8003 36.91218 24.38905       7.175505  18.07042       6.302055  45.34979       77.37276 
1 1 1 0   13  6  o 129.1470 47.15586 3.190028       4.858826  3.685239       4.971435  -4.577621      77.62380 
1 1 1 0   13  7  o 83.79221 38.64115 -1.117532      4.517826  -3.529541      4.834555  7.563850       66.22504 
1 1 1 0   13  8  o 83.78804 36.02762 -0.5774472     3.204762  0.6617226      3.581089  -14.00699      60.62650 
1 1 1 0   13  9  o 102.9185 42.59803 -1.788996      4.411334  3.617271       4.465735  -37.05486      70.31736 
1 1 1 0   13  10 o 329.3120 27.19529 25.25027       5.668148  23.62242       5.356919  10.59375       55.77966 
1 1 1 0   13  11 o 138.8279 45.19910 5.075023       4.450985  3.607762       4.477152  12.89949       75.46987 
1 1 1 0   13  12 o 499.7273 25.38971 49.36306       8.038394  61.72034       7.664541  -58.48648      52.24392 
1 1 1 0   13  13 o 192.1359 42.31242 11.63288       4.674163  5.394999       5.177141  59.90710       76.20872 
1 1 1 0   13  14 o 351.0862 27.62276 26.11743       6.192798  29.51576       5.765006  -24.65527      57.50717 
1 1 1 0   13  15 o 143.6896 40.32736 7.645881       4.226676  3.249299       3.390865  48.98900       69.42896 
1 1 1 0   13  16 o 300.1411 23.01238 17.09880       4.213375  23.55255       4.291400  -50.19409      47.78533 
1 1 1 0   13  17 o 177.8189 35.57124 1.966899       3.970332  12.21109       3.626122  -107.1628      61.49446 
1 1 1 0   13  18 o 138.5427 38.32703 7.107069       3.562655  2.741094       3.266598  48.71354       65.05254 
1 1 1 0   13  19 o 309.3484 20.43761 15.72738       3.901842  27.80884       3.897974  -93.00188      44.46513 
1 1 1 0   13  20 o 132.5895 37.93690 2.217672       3.465850  6.518358       3.117746  -44.96496      62.86897 
1 1 1 0   13  21 o 118.8997 38.14880 1.471403       3.475002  5.577352       2.960866  -38.62498      61.40580 
1 1 1 0   13  22 o 65.64365 30.48230 -0.1993735     3.258047  -1.637958      2.763567  13.44778       51.60996 
1 1 1 0   13  23 o 115.5449 36.77984 4.273881       3.210371  3.673172       2.771920  5.226463       61.02250 
1 1 1 0   13  24 o 57.72010 27.44715 -2.597210      3.027114  -0.5459555     2.432688  -2.815834      45.95777 
1 1 1 0   13  25 o 87.28726 35.04497 0.6948531      3.028805  3.413386       2.778161  -19.11361      54.93094 
1 1 1 0   13  26 o 68.61658 30.84934 -0.1909474     3.127474  0.9359708      2.476073  -1.887886      49.25043 
1 1 1 0   14  0  o 238.8422 36.61075 12.34420       5.255937  13.85741       5.247141  -14.45575      74.15022 
1 1 1 0   14  1  o 341.8730 25.59566 23.70280       5.743972  27.99508       5.092108  -31.11511      53.50743 
1 1 1 0   14  2  o 322.5827 25.71878 22.19501       5.540183  24.08905       4.756673  -15.94705      53.75497 
1 1 1 0   14  3  o 194.8005 39.40889 11.36227       5.790871  7.769242       3.929444  35.13536       76.73622 
1 1 1 0   14  4  o 204.0191 35.32021 4.183746       4.872243  13.16026       3.903504  -89.93527      67.68526 
1 1 1 0   14  5  o 82.86353 37.69572 0.7949288      5.017828  -3.017608      3.745252  37.46955       66.65956 
1 1 1 0   14  6  o 101.5767 40.84029 1.884272       4.506067  0.8273235      3.541983  18.78995       68.46853 
1 1 1 0   14  7  o 271.4944 39.81327 17.12253       4.600402  0.000000       0.000000  ?              ?        
1 1 1 0   14  8  o 152.3895 39.31372 6.547053       3.865700  4.547713       3.627404  22.72345       69.24496 
1 1 1 0   14  9  o 552.8223 24.67537 70.20274       8.385946  66.05008       8.496186  17.59888       49.96698 
1 1 1 0   14  10 o 222.7405 39.85273 16.07733       5.104028  6.385324       5.530157  90.69464       75.66585 
1 1 1 0   14  11 o 166.3456 50.27440 5.688664       4.764993  8.669853       7.224825  -33.23831      88.03754 
1 1 1 0   14  12 o 334.6619 64.29108 0.000000       0.000000  28.31970       9.094629  ?              ?        
1 1 1 0   14  13 o 226.3040 43.34756 10.83310       4.605741  18.70409       9.522843  -50.86597      92.75857 
1 1 1 0   14  14 f 227.0265 42.90773 10.39943       4.605570  20.68185       9.177078  -68.95126      90.73055 
1 1 1 0   14  15 o 86.37192 37.91552 -1.470016      3.681580  0.9573100      4.174131  -21.34686      64.18186 
1 1 1 0   14  16 o 88.91241 38.61016 -0.3419721     3.517431  0.2616836      4.612053  -16.89951      65.57257 
1 1 1 0   14  17 o 255.9390 36.59492 13.31249       5.958730  17.56157       5.375742  -42.62579      76.91854 
1 1 1 0   14  18 o 289.3077 31.34508 12.04710       5.648099  27.00209       5.429456  -127.2940      70.40499 
1 1 1 0   14  19 o 268.4260 32.77101 19.40907       5.634073  16.08363       5.094057  23.92299       70.65552 
1 1 1 0   14  20 f 96.83131 41.80005 3.533204       5.015907  -0.7378843     4.242365  28.68530       68.81126 
1 1 1 0   14  21 o 118.2364 44.56468 -0.1608045     4.745254  7.484060       4.210023  -49.36710      69.15800 
1 1 1 0   14  22 f 79.94907 37.03757 -0.5270844     4.942401  -0.7262408     3.945922  7.853371       60.92931 
1 1 1 0   14  23 o 82.41219 37.52128 1.729342       4.968448  -0.2394641     3.726945  14.55868       60.88643 
1 1 1 0   14  24 o 93.61459 39.53624 2.234976       4.199502  3.032006       3.724212  -3.423676      61.17892 
1 1 1 0   14  25 o 128.2230 43.65510 6.245008       4.429326  6.920246       3.925965  -8.440453      67.82635 
1 1 1 0   14  26 o 74.84674 34.65343 -0.1700388     4.022297  1.636528       3.626789  -5.478699      53.91677 
1 1 1 0   15  0  o 216.2940 42.64339 10.79836       5.717295  11.20416       5.338336  -4.231979      81.69410 
1 1 1 0   15  1  o 421.1247 23.23785 46.04383       6.762560  35.08542       5.519063  56.87637       47.13182 
1 1 1 0   15  2  f 140.4030 45.98082 4.832181       5.419991  4.148849       4.089196  14.80974       77.92087 
1 1 1 0   15  3  o 417.7180 24.13174 40.05876       7.685899  38.29446       5.371300  4.491028       52.00465 
1 1 1 0   15  4  o 323.8030 32.98335 0.000000       0.000000  23.76872       4.619316  ?              ?        
1 1 1 0   15  5  o 401.4494 28.96852 0.000000       0.000000  36.18997       5.066730  ?              ?        
1 1 1 0   15  6  o 144.4266 48.13081 5.782507       6.687276  4.188810       4.224935  27.93217       83.19931 
1 1 1 0   15  7  o 330.9684 23.80171 23.05132       5.248317  25.53485       4.537025  -19.49210      49.60041 
1 1 1 0   15  8  o 334.3626 23.18291 20.95453       4.801937  28.89919       4.755680  -55.67221      48.05047 
1 1 1 0   15  9  o 314.3827 22.29645 23.46287       4.257614  20.59375       4.385210  21.63284       45.62683 
1 1 1 0   15  10 o 254.9495 26.10867 13.28584       3.916210  16.32306       4.245368  -26.83421      54.00753 
1 1 1 0   15  11 f 345.0707 21.49978 29.75811       4.551840  23.39095       4.607185  43.14139       44.15591 
1 1 1 0   15  12 o 204.3669 51.32563 0.000000       0.000000  10.43722       4.594012  ?              ?        
1 1 1 0   15  13 o 131.3531 41.62130 5.515290       3.395594  1.597879       4.405254  29.75544       68.60152 
1 1 1 0   15  14 o 249.1000 29.25292 10.11376       3.900001  21.80906       5.272415  -100.0411      60.61598 
1 1 1 0   15  15 o 195.7138 37.55644 11.08512       3.790706  5.172659       5.422727  59.10617       71.90965 
1 1 1 0   15  16 o 77.96612 38.18764 -2.094743      4.944478  -28.55552      9.674489  10.86634       67.39909 
1 1 1 0   15  17 o 120.1408 49.76441 0.1304018      4.920272  8.546512       8.740706  -64.37538      87.74018 
1 1 1 0   15  18 o 121.8701 49.71824 4.934461       5.005767  -1.979411      7.694712  18.42608       79.73373 
1 1 1 0   15  19 o 112.3372 47.63395 3.100333       5.101214  0.5342001      6.758632  3.554153       76.68353 
1 1 1 0   15  20 o 105.8372 45.38839 1.402591       4.844111  3.088036       6.010084  -13.19279      73.06970 
1 1 1 0   15  21 o 91.10766 41.38026 2.516526       4.861380  -1.870814      5.353676  14.85072       66.24876 
1 1 1 0   15  22 o 130.1320 48.88597 9.863846       5.228638  2.194885       5.479274  43.55586       75.16202 
1 1 1 0   15  23 o 79.45885 37.07422 3.503236       4.810398  -2.727697      4.230531  25.65297       60.28660 
1 1 1 0   15  24 o 71.49342 34.34609 0.6736278      4.712839  -2.702903      4.201597  12.75656       55.68836 
1 1 1 0   15  25 o 72.65507 34.72725 5.099893       4.854181  -3.870621      4.067097  29.74416       56.61940 
1 1 1 0   15  26 f 73.84482 35.35013 5.442302       4.998332  -3.230436      4.294144  25.23758       56.08723 
1 1 1 0   16  0  o 176.1308 48.32348 9.528118       5.816967  5.926861       5.124855  33.51802       83.89976 
1 1 1 0   16  1  o 190.6013 45.86612 7.157323       5.863548  9.891360       4.962403  -23.98972      82.48116 
1 1 1 0   16  2  o 417.8468 24.82580 38.59167       7.295941  39.35463       5.777996  -8.440216      52.15058 
1 1 1 0   16  3  o 100.4169 43.38585 -6.360456      7.053782  1.933996       4.024562  -6.985146      73.11558 
1 1 1 0   16  4  o 330.0727 35.66407 0.000000       0.000000  24.94935       5.081574  ?              ?        
1 1 1 0   16  5  o 247.9161 33.06553 11.52533       5.512230  15.83961       4.543711  -44.13451      70.53233 
1 1 1 0   16  6  o 326.4425 58.22439 26.10934       8.031231  0.000000       0.000000  ?              ?        
1 1 1 0   16  7  o 357.1215 25.63020 31.91762       6.134552  26.23819       5.248690  34.11404       52.41086 
1 1 1 0   16  8  f 232.2592 32.58026 11.01462       4.828909  13.57093       4.340292  -27.52657      67.73553 
1 1 1 0   16  9  o 271.4988 26.95004 15.16346       4.282213  18.57373       4.705620  -27.86438      55.81349 
1 1 1 0   16  10 o 207.2573 32.40421 8.130626       3.835682  12.27979       4.256594  -43.44176      65.25587 
1 1 1 0   16  11 o 363.4445 22.16669 31.45863       4.918260  27.75311       5.031182  24.15286       45.32729 
1 1 1 0   16  12 o 302.4882 30.06134 14.25199       6.638759  24.66619       4.887397  -93.93703      72.35278 
1 1 1 0   16  13 o 89.09647 39.22887 -1.415848      3.989484  0.6928354      4.468738  -18.23661      66.28006 
1 1 1 0   16  14 o 93.56071 40.33038 3.159000       3.802988  -5.029194      4.911573  34.72208       65.92835 
1 1 1 0   16  15 o 65.91240 32.39171 -5.410573      4.093391  -7.420294      5.351752  -9.367729      58.43911 
1 1 1 0   16  16 f 80.57896 36.83635 -2.638006      3.708076  0.6108137      4.701085  -28.48406      63.83232 
1 1 1 0   16  17 o 196.6536 37.63697 7.945759       3.989803  12.46307       5.040204  -40.19464      73.84205 
1 1 1 0   16  18 o 215.8953 31.58189 13.85796       3.747370  7.864029       4.588013  70.78906       66.53011 
1 1 1 0   16  19 o 101.8149 40.72129 -1.298857      3.567607  7.419658       4.329658  -67.38670      66.15469 
1 1 1 0   16  20 o 85.30580 37.44119 -2.570219      3.505260  5.559569       4.200896  -51.89384      62.36683 
1 1 1 0   16  21 o 80.18285 36.06893 -1.833129      3.493454  3.127210       4.095419  -29.87823      59.65655 
1 1 1 0   16  22 o 59.03743 29.01569 -1.383466      3.668082  -5.710619      3.716875  12.98647       49.69027 
1 1 1 0   16  23 o 66.58404 31.55562 2.672587       3.636853  -3.932599      3.353232  28.94608       52.75770 
1 1 1 0   16  24 o 71.53053 33.13725 -0.5621267E-01 3.578692  0.4052600      3.408963  -1.042572      52.69637 
1 1 1 0   16  25 o 81.87618 35.99543 1.725592       3.657275  2.519662       3.417363  -3.439781      54.96049 
1 1 1 0   16  26 o 69.53297 35.19588 0.000000       0.000000  -4.045215      5.323743  ?              ?        
1 1 1 0   17  0  o 136.7021 50.69049 5.440527       6.393004  2.450464       5.214739  29.18954       84.25904 
1 1 1 0   17  1  o 433.3287 26.62258 51.77138       8.149111  36.25092       6.405114  76.64536       54.31681 
1 1 1 0   17  2  o 405.5204 26.70447 47.25031       8.334608  32.18236       5.733288  75.41003       55.47496 
1 1 1 0   17  3  o 286.7570 36.64363 16.18590       7.964736  20.44783       5.460856  -45.82811      82.63560 
1 1 1 0   17  4  o 252.8239 38.36459 4.081223       6.388309  22.76047       5.393389  -156.3441      74.04866 
1 1 1 0   17  5  o 335.2740 36.63637 0.000000       0.000000  26.04681       5.300237  ?              ?        
1 1 1 0   17  6  o 212.9207 44.63135 13.55045       8.107257  10.12645       4.651804  24.22708       89.20357 
1 1 1 0   17  7  o 482.5485 31.20474 0.000000       0.000000  53.08978       6.569434  ?              ?        
1 1 1 0   17  8  o 176.2516 46.71259 8.922132       5.872250  6.824553       4.699152  20.54323       82.75980 
1 1 1 0   17  9  o 399.9143 22.64191 36.04042       5.652006  35.76534       5.537649  1.203674       46.05914 
1 1 1 0   17  10 o 142.9657 43.48362 4.673381       4.088755  5.160630       4.318938  -5.678726      73.67523 
1 1 1 0   17  11 o 244.9130 39.00314 13.78441       4.822134  15.30464       7.459094  -1.855148      83.30222 
1 1 1 0   17  12 o 90.51579 39.55410 -0.2821056     4.162960  -0.2692013     4.251994  -1.138557      66.27705 
1 1 1 0   17  13 o 90.81206 40.87791 -0.3424489     4.561182  -2.240045      5.170007  2.715103       68.98941 
1 1 1 0   17  14 o 259.4845 31.02469 18.38998       4.852810  12.96056       4.938308  50.74210       66.07766 
1 1 1 0   17  15 o 170.9590 41.94189 9.694326       4.097414  4.266126       4.817026  52.88326       72.96777 
1 1 1 0   17  16 o 117.5545 43.58826 2.973109       3.775836  3.464803       4.886657  -10.20019      71.80685 
1 1 1 0   17  17 o 77.02561 35.95650 -0.7614449     3.799086  -3.677201      4.863963  1.303795       60.82770 
1 1 1 0   17  18 f 105.3741 44.05558 1.604768       4.789768  2.585278       4.843230  -5.767082      70.80042 
1 1 1 0   17  19 o 88.37647 37.95393 2.334081       3.383308  -0.8381017     4.238396  12.11757       60.98721 
1 1 1 0   17  20 o 78.78873 36.12244 -1.248116      3.672524  1.306850       4.427828  -16.77143      59.46753 
1 1 1 0   17  21 o 102.0878 41.16428 5.280789       3.706271  0.3297179E-01  4.412068  29.55756       63.75922 
1 1 1 0   17  22 o 63.58730 31.05994 -4.492016      3.798432  -0.5253267     4.325401  -15.63162      52.31215 
1 1 1 0   17  23 o 90.78807 38.92381 3.215888       3.673576  2.261897       4.225302  4.209892       59.42725 
1 1 1 0   17  24 o 73.11625 34.10590 -2.942824      3.632235  4.960887       3.988775  -31.42117      54.84329 
1 1 1 0   17  25 o 88.66254 37.99776 4.161015       3.718685  2.490912       3.748693  7.796745       56.73143 
1 1 1 0   18  0  o 380.2501 30.10845 43.31888       7.978912  26.28291       6.375675  96.68460       62.19036 
1 1 1 0   18  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   18  2  o 139.5363 52.34652 5.445276       8.180710  3.157323       5.110066  34.36342       89.51575 
1 1 1 0   18  3  o 132.0670 52.32574 -1.805903      7.855643  4.945365       5.498316  -18.46446      85.53204 
1 1 1 0   18  4  o 119.5492 49.04653 0.6975533      6.872123  2.101426       5.132256  7.259872       81.71944 
1 1 1 0   18  5  o 164.6838 52.75738 0.2501163      7.005332  10.31646       5.470241  -63.53429      84.22294 
1 1 1 0   18  6  o 281.1913 41.68469 15.51385       10.24067  19.69889       5.708172  -47.73077      94.15488 
1 1 1 0   18  7  o 145.3252 51.59286 1.420219       6.608280  6.746886       5.280656  -28.12688      83.94246 
1 1 1 0   18  8  o 283.6607 35.83204 14.47275       6.741521  21.79528       5.714270  -66.50130      77.73803 
1 1 1 0   18  9  o 206.8754 47.26820 13.03690       6.408359  8.659327       5.549514  37.85696       86.78282 
1 1 1 0   18  10 o 149.2986 44.57833 2.906141       4.334116  8.146451       4.560060  -49.63040      74.35620 
1 1 1 0   18  11 o 54.22231 27.46230 -9.424450      4.511977  -13.01676      4.751595  4.766983       51.13727 
1 1 1 0   18  12 o 53.95343 27.34426 -11.83869      4.530111  -10.58485      4.751769  -5.399849      50.93122 
1 1 1 0   18  13 o 173.9713 46.23030 7.533657       4.490980  8.164641       5.964250  -5.307770      82.11165 
1 1 1 0   18  14 o 124.2439 44.84225 5.539038       4.303375  1.429873       4.560734  30.47115       72.60336 
1 1 1 0   18  15 o 86.27997 38.33012 3.082563       4.033735  -3.903934      4.182389  37.65311       63.67406 
1 1 1 0   18  16 o 136.9568 44.73867 6.011318       4.214298  4.058681       4.548172  15.85269       73.64847 
1 1 1 0   18  17 o 106.5409 43.75360 1.528978       4.209707  3.612019       5.219045  -17.37135      71.01823 
1 1 1 0   18  18 o 105.4678 43.01530 -0.4577286     3.919133  8.304056       5.246675  -58.47032      70.92710 
1 1 1 0   18  19 o 111.2318 42.16608 4.925835       3.544179  1.822223       4.695191  18.76551       66.04655 
1 1 1 0   18  20 o 91.94323 39.28793 0.5440775      3.589805  3.998966       4.504170  -22.35747      63.16754 
1 1 1 0   18  21 o 60.27321 29.79179 -3.971523      3.868542  -3.939580      4.339928  -3.817825      50.34335 
1 1 1 0   18  22 o 64.05462 31.04609 -2.499548      3.476053  -0.6743338     4.302752  -10.79813      51.18731 
1 1 1 0   18  23 o 57.16449 28.49801 -2.657105      3.794005  -6.038261      4.391988  3.500832       47.49136 
1 1 1 0   18  24 o 67.62596 32.55470 -2.789725      3.738605  3.318917       4.407832  -19.69167      52.03704 
1 1 1 0   18  25 o 56.14294 27.92801 -2.966469      3.584495  -2.293386      4.091419  -4.027416      45.23101 
1 1 1 0   19  0  o 99.32967 44.50256 -5.245980      6.351184  1.876606       5.152501  -20.57236      74.12119 
1 1 1 0   19  1  o 130.0214 55.07484 0.000000       0.000000  1.698155       5.433489  ?              ?        
1 1 1 0   19  2  o 115.9184 49.43613 1.740576       8.500100  0.5337009      5.189682  31.51626       85.13584 
1 1 1 0   19  3  o 98.60636 45.20104 -7.742857      7.701652  0.4184870      5.404247  -9.016182      76.52931 
1 1 1 0   19  4  o 208.6845 50.72859 5.183119       7.255131  14.79710       5.943410  -75.43042      87.38093 
1 1 1 0   19  5  o 100.3570 46.20289 -13.23353      7.329541  4.693826       6.105978  -57.33385      77.85053 
1 1 1 0   19  6  o 75.12926 37.53699 -7.330382      10.48036  -14.36551      5.841413  57.64954       76.64143 
1 1 1 0   19  7  o 144.4257 63.86607 0.4340464      7.969418  0.000000       0.000000  ?              ?        
1 1 1 0   19  8  x ?        ?        -32.06899      7.072069  -8.702103      5.917133  ?              ?        
1 1 1 0   19  9  o 226.1587 45.59365 13.82402       6.940049  11.96249       5.617917  11.29401       88.28275 
1 1 1 0   19  10 o 231.3264 38.65119 10.38669       5.348846  15.51250       5.352690  -48.92056      77.48656 
1 1 1 0   19  11 o 202.6196 41.02734 11.97267       5.070605  8.552341       4.893366  33.03586       78.13094 
1 1 1 0   19  12 o 91.19091 40.21445 -2.537791      4.351560  2.339400       4.532554  -29.08598      67.16033 
1 1 1 0   19  13 o 110.6099 44.78598 6.997675       4.810202  -2.602632      4.735993  62.30753       71.78501 
1 1 1 0   19  14 o 78.19162 37.52587 -4.410387      4.275207  -2.563527      7.567821  -34.69975      68.66824 
1 1 1 0   19  15 o 70.10652 33.61221 -1.593576      4.076443  -4.921628      4.335409  9.886711       57.72003 
1 1 1 0   19  16 o 80.77190 38.08036 -7.933306      5.868951  1.153333       4.367455  -18.96562      63.32219 
1 1 1 0   19  17 o 99.19036 41.34538 1.767662       3.982288  2.489257       4.513546  -6.827080      66.22784 
1 1 1 0   19  18 o 135.4384 46.53911 6.188136       4.470262  6.511955       5.027622  -0.2067108     74.16674 
1 1 1 0   19  19 o 106.4229 43.46807 4.501651       4.211539  2.127271       4.966056  11.63542       67.47948 
1 1 1 0   19  20 f 91.42941 39.42516 4.012691       3.739350  -0.3620243     4.497787  19.21400       61.11337 
1 1 1 0   19  21 o 66.65716 32.47312 -0.2166616     3.826514  -5.457322      5.102889  6.301590       52.70861 
1 1 1 0   19  22 o 66.22903 32.11114 0.1573465      3.771358  -3.420214      4.532932  6.072830       51.37510 
1 1 1 0   19  23 o 75.66821 35.20366 2.817308       3.799096  -0.4462523     4.247131  10.08973       53.74914 
1 1 1 0   19  24 o 66.24593 32.20797 0.4510212      3.937778  -1.442875      4.524525  2.857414       49.94566 
1 1 1 0   20  0  o 148.9631 52.67389 7.440480       7.237364  4.797101       5.338854  22.50989       87.41625 
1 1 1 0   20  1  o 166.0244 53.56845 10.93399       8.328992  5.966232       5.247111  36.77910       92.49033 
1 1 1 0   20  2  o 215.9240 51.48384 16.67438       9.152415  10.65768       5.649110  32.92406       97.71766 
1 1 1 0   20  3  o 126.8885 52.43016 -5.215243      7.961483  6.692595       5.905820  -42.87859      83.47198 
1 1 1 0   20  4  o 100.2223 45.37069 -0.4226832     7.209810  -1.702159      5.325586  21.67410       77.39647 
1 1 1 0   20  5  o 176.1383 52.57740 10.84668       6.969499  6.421692       5.610929  34.67372       89.90234 
1 1 1 0   20  6  o 205.0956 57.02200 15.67326       11.75878  10.32994       5.958127  25.52826       105.3349 
1 1 1 0   20  7  o 282.7938 40.10503 19.04739       7.503070  19.88738       6.323659  -16.78741      85.69012 
1 1 1 0   20  8  o 338.7905 33.88776 28.00500       7.566315  26.68187       6.587588  1.062317       72.96818 
1 1 1 0   20  9  o 336.4236 33.30482 16.00993       7.244934  35.79570       6.529314  -151.9060      78.12099 
1 1 1 0   20  10 o 223.4381 43.47816 11.95872       6.007782  13.50052       5.629236  -16.61581      84.82873 
1 1 1 0   20  11 o 90.15779 41.14394 -4.302587      5.216188  1.671242       5.005794  -24.80322      68.85941 
1 1 1 0   20  12 o 126.6153 45.81781 8.223778       4.740739  0.2597360      4.517205  60.62425       73.01364 
1 1 1 0   20  13 o 183.5735 42.54468 8.765913       4.676380  9.450610       4.827093  -5.696335      78.36090 
1 1 1 0   20  14 o 110.5471 44.73169 2.285046       4.599155  3.215770       4.933678  -7.197891      71.85094 
1 1 1 0   20  15 o 70.24043 33.67160 -3.970172      4.076102  -1.515900      4.361264  -11.98501      57.47355 
1 1 1 0   20  16 o 135.0166 48.25165 7.270197       4.293309  3.123009       6.694750  25.43825       75.41277 
1 1 1 0   20  17 o 81.95557 37.72224 -1.003527      4.146261  1.266011       4.753426  -12.75360      61.19078 
1 1 1 0   20  18 f 97.68771 41.45491 4.445179       4.185578  0.2405749      4.574258  20.45303       64.72408 
1 1 1 0   20  19 o 62.79381 31.01423 -5.774711      4.209619  -1.817572      4.610803  -13.01586      52.50162 
1 1 1 0   20  20 o 120.6843 45.10610 9.429611       4.480799  2.817714       4.606150  38.23507       68.14154 
1 1 1 0   20  21 o 70.34946 33.46128 0.8969358      3.772312  -1.449662      4.252274  5.492310       52.65594 
1 1 1 0   20  22 o 73.27817 34.77318 -0.2054929     4.013080  1.532896       4.559849  -6.598053      53.89558 
1 1 1 0   20  23 o 56.82933 28.50964 -4.670632      3.878186  -2.038099      5.097978  -9.795792      46.63614 
1 1 1 0   20  24 o 93.70016 40.72308 6.513706       3.902875  4.035288       5.178061  12.96925       57.12112 
1 1 1 0   21  0  o 134.7312 55.77248 -4.695478      11.39334  7.019138       6.104312  -23.01817      87.66273 
1 1 1 0   21  1  f 111.7036 48.70779 -0.7354423     8.713225  1.892746       5.238875  9.394936       80.66315 
1 1 1 0   21  2  o 90.39264 42.90920 -3.995610      8.064492  -3.464005      5.591060  17.45157       73.94975 
1 1 1 0   21  3  o 107.9847 47.52686 -3.662531      7.216256  3.031274       5.480166  -16.31653      77.31487 
1 1 1 0   21  4  o 123.0675 50.65879 3.572416       7.315181  2.410655       5.519162  14.99667       82.80518 
1 1 1 0   21  5  o 96.31091 43.83936 2.747028       6.804653  -3.129581      5.072911  38.47826       75.35260 
1 1 1 0   21  6  o 154.7385 55.99099 7.747405       12.31778  6.426070       5.319663  17.13731       96.38204 
1 1 1 0   21  7  o 155.3501 55.50108 7.645700       7.849281  6.245154       6.028607  10.80371       90.57635 
1 1 1 0   21  8  o 156.1944 54.10164 4.210072       7.159725  8.724158       5.823808  -26.41974      87.01559 
1 1 1 0   21  9  o 140.2385 52.03792 4.535841       6.744595  5.822504       5.494670  -4.576187      83.80882 
1 1 1 0   21  10 o 152.7285 51.59730 7.553246       6.368048  6.211627       5.366428  9.260635       84.56731 
1 1 1 0   21  11 o 84.91320 39.52130 -5.038624      5.068286  1.686905       5.042282  -26.93280      66.39905 
1 1 1 0   21  12 o 81.82024 38.41974 -7.894269      5.121941  3.257194       4.802892  -40.82690      65.02399 
1 1 1 0   21  13 o 172.1259 45.59605 11.27544       4.989787  6.282559       4.901921  42.84229       78.71101 
1 1 1 0   21  14 o 107.7499 46.15319 3.381756       4.501742  0.5033127      7.737521  0.8203735      73.49394 
1 1 1 0   21  15 o 76.24739 36.20248 0.7015866      4.192171  -5.271288      5.243237  12.51792       59.40615 
1 1 1 0   21  16 o 93.67315 40.95990 2.817571       4.344965  0.6826789      4.712125  8.613266       64.44222 
1 1 1 0   21  17 o 101.5137 44.61970 1.264702       4.714239  6.266746       6.594265  -21.36369      70.33969 
1 1 1 0   21  18 o 75.78490 35.85797 0.8826514      4.349926  -2.106084      4.594680  8.669716       57.39088 
1 1 1 0   21  19 o 73.40559 35.53038 -1.550342      4.724342  -0.6200329     5.247552  -4.387093      56.43631 
1 1 1 0   21  20 o 67.52244 33.06114 1.804289       4.671304  -4.990349      4.638824  16.17181       53.12097 
1 1 1 0   21  21 o 70.97275 33.92942 0.7574354E-01  4.119939  0.1316319      4.312037  -0.7650528     52.76890 
1 1 1 0   21  22 o 57.13618 28.50913 -3.078699      3.906777  -2.589245      4.330082  -2.862869      45.84666 
1 1 1 0   21  23 o 82.33459 37.81137 3.725873       4.294487  3.966307       4.524930  -0.2999496     54.32243 
1 1 1 0   22  0  o 190.4539 77.26766 26.02897       16.31262  11.94829       12.79591  27.74881       115.3854 
1 1 1 0   22  1  o 92.62862 43.62922 -7.166959      8.449019  -0.7733610E-01 5.449891  -1.249535      72.34262 
1 1 1 0   22  2  o 96.63165 46.36782 3.358704       11.02997  -6.107396      6.622484  41.56126       81.20872 
1 1 1 0   22  3  o 101.7091 47.78889 -6.271452      9.876859  0.3947742      6.509928  -0.6160736     78.11688 
1 1 1 0   22  4  o 158.4926 60.71153 -15.14757      9.256200  24.62010       7.663745  -170.5974      82.13410 
1 1 1 0   22  5  o 108.9994 47.71875 8.053794       7.031528  -2.638838      5.530286  55.16180       79.54497 
1 1 1 0   22  6  o 117.6182 51.34125 -11.56069      12.00655  5.127822       5.499312  -18.94231      81.45734 
1 1 1 0   22  7  o 139.6593 54.18186 11.24464       8.104091  2.841115       5.852287  45.16627       88.28538 
1 1 1 0   22  8  o 125.1541 51.54282 -0.5206543     7.552776  6.504532       5.727856  -25.75002      80.76403 
1 1 1 0   22  9  o 97.73135 44.84865 -8.273046      7.043369  4.582306       5.574554  -35.70705      72.61436 
1 1 1 0   22  10 o 192.0228 50.51420 8.958820       6.398188  13.45855       5.834240  -38.35394      87.13532 
1 1 1 0   22  11 o 89.33410 40.98454 -3.015419      5.091778  2.578490       5.226553  -23.21326      67.08988 
1 1 1 0   22  12 o 113.7737 46.07908 6.449640       5.096903  1.193856       5.011680  28.74198       72.36983 
1 1 1 0   22  13 o 80.57688 38.03154 2.236882       5.007181  -4.518494      4.929714  23.78949       62.62782 
1 1 1 0   22  14 o 86.34079 40.99577 -1.394118      4.889917  0.3801005      8.194962  -17.14295      67.46817 
1 1 1 0   22  15 o 87.46497 40.04362 -0.6048547E-01 4.505276  1.707229       5.392262  -10.40313      63.94356 
1 1 1 0   22  16 o 87.29591 39.47712 4.294103       4.415447  -2.188816      4.746486  25.00619       62.18034 
1 1 1 0   22  17 o 90.97317 40.46733 2.784661       4.323060  1.837523       4.917532  2.762741       62.12113 
1 1 1 0   22  18 o 64.65813 31.76377 -4.251454      4.151535  -0.3847538     4.720529  -12.64344      52.19661 
1 1 1 0   22  19 o 76.79034 36.81856 0.9496695      4.364967  0.2358814      6.175235  -1.761429      56.43152 
1 1 1 0   22  20 o 73.84775 35.39949 -0.9138004     4.566633  2.138161       4.746097  -8.273651      54.45274 
1 1 1 0   22  21 o 90.60849 40.74561 1.915897       4.661408  8.628078       4.934927  -19.33378      58.55761 
1 1 1 0   22  22 o 64.85265 31.83985 0.5595413      4.235182  -1.019989      4.604846  2.460220       48.59999 
1 1 1 0   22  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   23  0  o 103.4654 48.58348 -7.394936      13.29714  1.318265       6.177427  5.144638       78.53146 
1 1 1 0   23  1  o 81.14302 39.81422 -14.90988      8.525137  -1.256689      5.900324  -11.59657      66.71055 
1 1 1 0   23  2  o 129.7401 60.14351 -2.516304      12.10881  9.982411       11.02329  -24.13438      91.86546 
1 1 1 0   23  3  o 109.3754 53.30369 -2.718510      12.40606  -4.527021      11.09468  6.219093       84.94096 
1 1 1 0   23  4  o 177.1197 70.75267 18.58767       12.49258  12.07814       11.10909  15.30804       104.8136 
1 1 1 0   23  5  o 94.21229 45.45932 -7.004661      13.25470  -2.612785      6.229089  18.82675       76.82441 
1 1 1 0   23  6  o 111.9156 53.96993 0.000000       0.000000  -1.013628      7.918027  ?              ?        
1 1 1 0   23  7  o 111.7665 51.41512 -0.9032241     10.33800  3.223686       6.995196  -2.335190      80.35909 
1 1 1 0   23  8  o 145.1869 59.16462 12.67247       10.52311  6.844949       7.185309  14.10078       90.48187 
1 1 1 0   23  9  o 98.62929 46.14170 0.2688012      10.02999  0.9946734E-01  5.729116  13.61689       74.76273 
1 1 1 0   23  10 o 89.01332 41.90571 -8.112553      6.112507  5.827706       5.822207  -42.42217      68.89695 
1 1 1 0   23  11 o 91.21007 41.70815 -1.450580      5.342508  2.509655       5.226123  -14.25549      66.58829 
1 1 1 0   23  12 o 83.07812 39.07866 -1.856008      5.255750  0.2195117      5.079679  -5.916367      63.10586 
1 1 1 0   23  13 o 95.11471 44.65345 -2.124295      5.529745  8.898402       9.121044  -34.00518      73.43020 
1 1 1 0   23  14 o 108.9960 50.01267 4.724469       5.433756  0.000000       0.000000  ?              ?        
1 1 1 0   23  15 o 117.3407 46.92092 6.254904       5.260544  5.570368       5.081200  2.704468       70.45372 
1 1 1 0   23  16 o 79.04552 37.20918 -4.067347      4.401423  6.496013       5.064885  -36.64168      60.50599 
1 1 1 0   23  17 o 69.13411 33.57284 0.6696519      4.183699  -3.695283      4.975911  7.694771       53.20014 
1 1 1 0   23  18 o 81.30094 38.17197 2.656572       4.867526  1.335467       4.910465  3.602852       57.36631 
1 1 1 0   23  19 o 68.89492 33.58844 -0.6908799     4.416694  -0.3210537     4.939823  -2.285370      52.15191 
1 1 1 0   23  20 f 57.74554 29.11616 -1.260732      4.735885  -6.926010      5.003908  7.339893       46.53418 
1 1 1 0   23  21 o 62.96110 31.63140 -2.586585      4.942814  -0.6630630     6.215189  -4.717583      48.57123 
1 1 1 0   23  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   24  0  o 87.25294 43.00038 -12.81417      12.65467  -3.217775      6.617966  7.841209       70.87613 
1 1 1 0   24  1  o 98.66272 46.05238 3.037157       8.359986  -0.5508689     6.065492  15.94260       73.47353 
1 1 1 0   24  2  o 85.38053 41.09279 -7.951457      7.661845  0.7262774      5.630450  -10.65182      66.56197 
1 1 1 0   24  3  o 115.9888 50.07473 6.370415       7.782369  2.976473       5.797803  14.16196       77.96417 
1 1 1 0   24  4  o 82.30555 39.93628 -3.370917      7.175762  -3.227947      5.791255  6.833885       65.76176 
1 1 1 0   24  5  o 95.18206 46.04350 6.174583       12.42175  -4.362980      6.666834  31.68546       77.16673 
1 1 1 0   24  6  o 110.7142 53.80989 3.989714       12.81843  -1.359402      10.82917  9.620171       82.24185 
1 1 1 0   24  7  o 99.96059 49.61345 -14.56722      12.47352  4.026770       11.17253  -19.15371      78.02742 
1 1 1 0   24  8  o 139.9520 63.48225 12.49295       12.51680  11.63347       11.42085  -0.1155853     90.26520 
1 1 1 0   24  9  o 132.0445 60.79181 3.525550       11.97408  16.03758       11.05350  -22.83523      87.38712 
1 1 1 0   24  10 o 84.26131 40.57058 -8.130581      6.216255  5.250119       6.323701  -34.25347      66.63007 
1 1 1 0   24  11 o 91.55579 43.51755 1.482845       6.558211  -0.7206276     6.908357  4.388672       67.67033 
1 1 1 0   24  12 o 86.57890 41.53848 7.125751       6.584869  -6.879444      6.302598  34.32466       66.79903 
1 1 1 0   24  13 o 74.72580 37.12472 -11.40715      6.531973  3.746822       6.780331  -27.06487      61.36107 
1 1 1 0   24  14 o 103.4019 49.47323 6.329077       6.361429  0.000000       0.000000  ?              ?        
1 1 1 0   24  15 o 80.47558 38.44221 -0.8163140     5.442799  2.583810       5.329577  -8.089531      58.83904 
1 1 1 0   24  16 o 81.02849 38.79413 0.2858730      5.147494  3.314159       6.068812  -7.698341      58.64686 
1 1 1 0   24  17 o 76.51985 36.77660 1.951845       5.070879  -0.2158013     5.124936  4.985023       55.93150 
1 1 1 0   24  18 o 69.57065 33.87349 1.663444       4.501160  -1.525487      4.910864  6.099739       51.70413 
1 1 1 0   24  19 o 74.88223 36.02818 2.112392       4.720831  2.456268       5.153080  -0.7762985     52.85841 
1 1 1 0   24  20 o 66.16234 32.63071 -0.8211376     4.578710  2.045729       5.071223  -5.562592      49.00053 
1 1 1 0   24  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   25  0  o 86.97832 42.97263 -15.97344      11.46495  0.4296504      7.016951  -8.762306      68.33512 
1 1 1 0   25  1  o 105.5201 49.56615 11.22660       10.84054  -0.3774225     6.932609  25.22128       77.29579 
1 1 1 0   25  2  o 89.30644 42.61917 -1.253443      7.746251  -0.3944569     5.826881  4.443382       67.77934 
1 1 1 0   25  3  o 89.42963 42.69020 -4.647189      7.520538  1.832219       5.976823  -10.01689      67.49148 
1 1 1 0   25  4  o 92.66106 43.46333 -0.9958733E-01 7.346313  1.289154       5.618771  1.033844       67.94610 
1 1 1 0   25  5  o 89.14132 43.27114 6.852683       11.91988  -3.137860      5.924385  26.23827       71.18320 
1 1 1 0   25  6  o 84.30521 41.36766 -4.234599      7.872613  -1.288526      7.019956  -2.616249      65.49622 
1 1 1 0   25  7  f 98.51765 45.97926 3.339261       8.253691  1.977178       6.072929  5.759064       70.23891 
1 1 1 0   25  8  o 99.65467 46.40173 -4.168232      8.068056  7.241427       6.239347  -24.87733      70.10174 
1 1 1 0   25  9  o 85.26922 41.39972 1.768822       7.894023  -2.217120      6.172764  11.63565       65.03310 
1 1 1 0   25  10 o 71.12669 35.58102 -6.631676      6.880610  -4.504558      6.305457  -1.009773      57.71849 
1 1 1 0   25  11 o 95.92324 47.23873 5.452819       9.737695  0.9493127      10.17224  5.107964       69.11703 
1 1 1 0   25  12 o 90.17249 45.09976 0.2481164      10.75294  2.499038       10.33643  -1.871887      66.34958 
1 1 1 0   25  13 o 83.51284 42.65575 0.000000       0.000000  -4.248128      9.239082  ?              ?        
1 1 1 0   25  14 o 95.16514 48.16882 8.995680       9.966984  0.000000       0.000000  ?              ?        
1 1 1 0   25  15 o 75.78806 37.10537 -6.399541      5.645423  7.512547       6.101210  -27.35817      58.52090 
1 1 1 0   25  16 o 77.45030 38.59721 -2.170484      6.407693  8.602272       9.139910  -12.28107      57.49559 
1 1 1 0   25  17 o 77.74854 38.27767 9.001829       6.355177  -3.600021      6.690894  17.68123       56.08619 
1 1 1 0   25  18 o 68.75957 34.54575 -2.420130      6.003029  3.097490       7.221596  -6.902565      51.59789 
1 1 1 0   25  19 f 67.25455 34.04547 1.855023       7.287197  -0.7638261     6.842058  2.423035       49.80572 
1 1 1 0   26  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   26  1  o 91.77312 44.74264 10.90347       11.01908  -4.450054      6.891328  28.26806       71.57756 
1 1 1 0   26  2  o 80.02152 39.23220 1.517472       8.578730  -4.309367      5.586453  19.60122       64.23097 
1 1 1 0   26  3  o 89.68794 42.55920 1.601035       7.579237  0.4686023      5.615665  6.623451       66.06092 
1 1 1 0   26  4  o 99.69917 47.35429 6.345211       13.01841  2.804402       6.219581  6.307030       71.21408 
1 1 1 0   26  5  o 92.56096 44.67756 1.749242       12.29710  1.416627       6.088707  5.897858       68.21307 
1 1 1 0   26  6  o 92.21590 43.99040 8.300161       8.263351  -1.921516      6.183557  23.16586       68.35366 
1 1 1 0   26  7  o 77.71414 38.64863 -9.115241      8.562342  -0.7291049     6.446541  -5.800682      61.18316 
1 1 1 0   26  8  o 93.34323 44.37124 5.413341       8.188284  0.7506343      6.208165  10.78665       67.14655 
1 1 1 0   26  9  o 82.32899 40.44100 -2.734779      8.170420  0.2846629      6.423281  -1.408066      62.28594 
1 1 1 0   26  10 o 78.62868 38.80686 1.975467       7.278206  -4.219235      6.472157  11.69505       60.54839 
1 1 1 0   26  11 o 84.94771 40.59066 1.779519       6.040987  1.866147       5.986643  -0.1346436     60.98902 
1 1 1 0   26  12 f 82.38557 39.49122 4.745504       5.841871  -0.8961740     5.741486  12.23236       59.38383 
1 1 1 0   26  13 o 74.09081 37.38638 0.000000       0.000000  -2.054916      5.733131  ?              ?        
1 1 1 0   26  14 o 69.10786 34.56490 -1.899252      5.589573  -0.9500195     7.041703  -3.594978      52.88381 
1 1 1 0   26  15 o 79.84949 38.45622 0.3604328      5.468078  6.334955       5.832293  -11.24012      56.12606 
1 1 1 0   26  16 o 73.78373 37.01040 -1.850772      10.32348  3.037725       6.009217  -2.966225      53.73373 
1 1 1 0   26  17 o 75.72447 38.59380 7.355402       10.40899  6.046391       10.04323  0.5197296      53.73697 
1 1 1 0   26  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 0   27  4  o 91.24263 44.17025 -0.9688709     12.71667  2.960951       6.006440  -0.7080078     65.98641 
1 1 1 0   27  5  o 83.88702 42.65582 1.860479       12.33769  -10.40994      11.59447  8.594048       64.59556 
1 1 1 0   27  6  o 77.93673 38.64685 1.245919       8.226625  -3.595439      6.307649  10.55852       60.28025 
1 1 1 0   27  7  o 77.59382 38.53760 -6.753168      8.140162  1.416085       6.446279  -7.878181      59.39721 
1 1 1 0   27  8  o 79.99220 39.57932 -0.8648151E-01 8.603777  -0.4685701     6.418231  3.292305       60.09792 
1 1 1 0   27  9  o 82.95827 40.65934 10.48312       8.336981  -3.528127      6.279981  21.95702       62.19460 
1 1 1 0   27  10 o 78.40353 38.74908 4.760261       7.387399  -2.897009      6.501879  11.79527       58.60593 
1 1 1 0   27  11 o 73.78104 36.40822 -5.202218      5.909397  5.255484       6.119484  -17.56893      56.11184 
1 1 1 0   27  12 o 82.26310 39.66856 -3.340670      5.787655  11.30869       6.346627  -27.39262      59.51349 
1 1 1 0   27  13 o 72.03711 36.53730 0.000000       0.000000  -0.9461873     5.928983  ?              ?        
1 1 1 0   27  14 o 79.34944 38.78297 1.979870       5.592509  8.222093       7.437959  -7.107018      55.35340 
1 1 1 0   27  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -25 0  o 98.26177 45.54475 5.287204       5.998118  -3.222932      7.449857  19.82255       70.08185 
1 1 1 1   -25 1  o 89.89267 43.02189 -1.089411      5.901984  0.9424751      8.341520  -11.12587      68.31739 
1 1 1 1   -25 2  o 82.23763 40.85116 -1.846048      6.783187  -13.12405      10.44200  3.276978       65.73917 
1 1 1 1   -24 0  o 92.98476 43.72915 1.768489       5.896088  -3.357139      7.229733  8.865715       69.51456 
1 1 1 1   -24 1  o 96.27421 44.83480 2.140207       5.682303  -2.410027      7.889221  5.078209       70.63654 
1 1 1 1   -24 2  o 98.20918 46.89207 1.111768       6.753163  -2.385965      10.32983  -1.558853      73.41866 
1 1 1 1   -24 3  o 99.94237 47.66451 -1.720668      6.907069  4.786925       10.71209  -20.32944      76.11407 
1 1 1 1   -24 4  o 116.0132 53.50500 12.62280       7.685055  -12.38052      11.16767  48.46712       80.65251 
1 1 1 1   -23 0  o 84.07010 40.63953 -1.758908      5.757552  -6.200891      7.452386  1.214180       67.10426 
1 1 1 1   -23 1  o 101.3573 46.26359 -0.7125906     5.669516  4.528364       7.718239  -23.71288      74.83049 
1 1 1 1   -23 2  o 105.3408 47.60683 3.852330       5.740934  -2.315870      8.145903  11.54335       74.57505 
1 1 1 1   -23 3  o 123.5564 54.98804 3.772688       7.177445  6.875353       10.94744  -11.15678      85.11620 
1 1 1 1   -23 4  o 106.2164 50.34107 0.4196995      7.232603  1.906024       12.62598  -12.46612      79.59389 
1 1 1 1   -23 5  o 104.8888 49.18565 0.4692289      6.246529  3.082234       14.06777  -18.78548      79.85227 
1 1 1 1   -23 6  o 118.3714 53.37165 4.942224       6.413000  1.039931       14.39848  0.5458908      82.17181 
1 1 1 1   -22 0  o 149.9991 65.94077 11.61306       11.29066  3.438923       12.49934  19.99837       99.82873 
1 1 1 1   -22 1  o 130.1770 60.40097 2.637124       10.94698  4.074265       12.55067  -5.323242      93.24535 
1 1 1 1   -22 2  o 101.9322 46.60005 2.034891       5.755540  -2.962415      7.940008  5.806938       74.86386 
1 1 1 1   -22 3  o 98.49925 47.25269 -1.302018      6.741036  -6.655303      12.09778  -9.667290      77.60260 
1 1 1 1   -22 4  o 94.32075 45.56689 -5.194331      6.312821  4.879540       13.34343  -40.77003      80.32642 
1 1 1 1   -22 5  o 108.6097 50.16422 3.239631       6.245644  -8.495126      12.58461  5.549660       79.58477 
1 1 1 1   -22 6  o 103.5329 48.43675 -2.108645      6.140028  9.770871       12.17611  -39.77816      82.27670 
1 1 1 1   -22 7  o 82.78458 41.05665 -8.790191      6.579451  -3.384632      11.07842  -28.23080      71.55188 
1 1 1 1   -21 0  o 113.3545 50.84460 1.573542       6.162550  -0.7167981     9.952793  -9.427757      83.19043 
1 1 1 1   -21 1  o 125.4327 53.57311 5.186066       6.230719  -0.9899765     9.532818  11.28987       84.83498 
1 1 1 1   -21 2  f 107.0993 48.09399 0.2413106      5.653924  1.047459       8.471749  -17.46216      79.58485 
1 1 1 1   -21 3  o 126.4899 62.80439 -8.700779      13.38458  0.000000       0.000000  ?              ?        
1 1 1 1   -21 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -21 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -21 6  o 100.6758 47.20622 0.4685256      6.166313  -4.943741      10.05767  -3.421608      76.88085 
1 1 1 1   -21 7  o 93.75932 45.06395 -0.2111184     6.834404  -8.148845      8.868584  8.194458       73.65084 
1 1 1 1   -21 8  o 147.8813 57.32508 8.585936       6.729327  6.909635       8.634220  9.271393       88.36949 
1 1 1 1   -21 9  o 96.77031 45.91031 3.645458       6.523326  -10.78859      8.822638  24.74436       73.85857 
1 1 1 1   -20 0  o 107.7223 47.50667 3.022483       5.502493  -4.447685      7.241319  18.83305       77.59191 
1 1 1 1   -20 1  o 106.5364 47.15772 -1.063197      5.306529  2.888228       7.624316  -32.84416      79.98016 
1 1 1 1   -20 2  f 97.38908 44.83223 0.6899984      5.183563  -7.115151      8.430442  2.070740       74.84371 
1 1 1 1   -20 3  o 224.2121 60.09875 16.99654       6.875569  11.11556       12.55464  54.84898       101.6360 
1 1 1 1   -20 4  f 117.7824 51.77016 -0.3859179     5.954545  7.548490       10.36009  -46.29063      88.79472 
1 1 1 1   -20 5  o 100.7179 46.91225 -4.354709      6.129672  4.132528       8.917582  -42.45728      80.89151 
1 1 1 1   -20 6  o 101.8890 49.13977 -4.526054      6.568223  0.000000       0.000000  ?              ?        
1 1 1 1   -20 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -20 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -20 9  o 105.3340 50.62165 -2.458586      6.826803  0.000000       0.000000  ?              ?        
1 1 1 1   -20 10 o 117.0246 52.44264 8.674232       7.132114  -6.739091      8.877639  42.53519       81.89000 
1 1 1 1   -19 0  o 230.7701 47.36960 18.82326       5.726624  3.178426       7.887939  119.7728       82.31359 
1 1 1 1   -19 1  o 150.2958 54.16488 3.227929       5.370135  11.43899       8.665345  -61.47238      92.91322 
1 1 1 1   -19 2  o 102.9903 45.79694 -0.1885342     4.810865  -0.8597037     8.240559  -24.28461      79.06552 
1 1 1 1   -19 3  o 137.9482 52.54377 0.9970523      5.317473  11.93421       7.866100  -75.60292      88.53545 
1 1 1 1   -19 4  o 123.6080 53.17733 3.454244       6.525414  -0.5988835     8.643601  5.375275       86.09749 
1 1 1 1   -19 5  o 95.35646 44.75272 -2.264031      5.893264  -3.314870      7.991981  -11.60455      75.58322 
1 1 1 1   -19 6  o 141.2026 55.38583 4.938600       6.357500  5.481379       8.103226  -7.521484      89.05685 
1 1 1 1   -19 7  o 106.5848 48.39518 1.759499       6.436975  -2.841625      7.622906  9.440437       78.76437 
1 1 1 1   -19 8  o 115.3365 52.39187 -4.884938      8.212502  6.367528       8.113284  -35.62743      84.56445 
1 1 1 1   -19 9  o 173.7563 67.23473 11.68099       7.291547  0.000000       0.000000  ?              ?        
1 1 1 1   -19 10 o 166.4102 78.61046 16.75222       15.06715  0.000000       0.000000  ?              ?        
1 1 1 1   -19 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -19 12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -18 0  o 263.2959 52.52810 17.22161       5.853713  0.000000       0.000000  ?              ?        
1 1 1 1   -18 1  o 235.5777 47.85447 12.02372       5.683727  17.71375       8.809624  -36.12325      94.83569 
1 1 1 1   -18 2  o 263.2543 43.47402 16.51547       5.828323  17.51212       8.716207  6.852036       91.80372 
1 1 1 1   -18 3  o 131.3917 51.07649 -1.326757      5.205665  12.36560       7.220971  -98.99679      84.78822 
1 1 1 1   -18 4  o 195.5518 53.54859 10.41908       5.891990  9.655638       7.919043  7.145065       93.72426 
1 1 1 1   -18 5  o 158.6975 56.47431 6.440431       6.325179  6.727921       7.932910  -6.018692      92.51541 
1 1 1 1   -18 6  f 106.1241 48.36751 -2.002052      6.236260  0.6311421      8.230462  -22.98666      81.40026 
1 1 1 1   -18 7  o 173.8113 59.85377 6.866707       7.520332  11.51446       8.149057  -26.63577      97.04597 
1 1 1 1   -18 8  o 117.1067 55.58321 0.000000       0.000000  -3.469687      7.705151  ?              ?        
1 1 1 1   -18 9  o 94.51897 44.77106 1.094918       6.759966  -7.982415      7.268580  23.79896       74.95571 
1 1 1 1   -18 10 o 121.5312 53.20779 2.761369       7.764787  2.381293       7.528583  2.240631       84.54123 
1 1 1 1   -18 11 o 118.6318 52.20898 -0.8330321     7.264506  5.582889       7.643495  -25.41173      83.54104 
1 1 1 1   -18 12 o 96.30713 45.63412 -2.449337      7.032721  -2.243302      7.567046  -3.493973      74.93452 
1 1 1 1   -18 13 o 106.0472 52.72545 -4.193432      13.68846  -14.86777      13.35707  13.62348       85.74376 
1 1 1 1   -17 0  o 172.7290 53.06120 12.00091       5.443467  -2.061493      7.508088  85.60213       82.62502 
1 1 1 1   -17 1  o 168.3024 54.66166 3.881308       5.367143  14.69374       9.062730  -89.33397      95.77291 
1 1 1 1   -17 2  o 113.6455 49.04610 4.027748       5.356466  -8.535254      8.037499  31.03654       80.30844 
1 1 1 1   -17 3  o 106.7809 46.10757 -0.2005152     5.062282  0.6573746      6.288169  -16.40182      77.56633 
1 1 1 1   -17 4  o 316.6724 34.03011 21.19430       6.026036  26.35151       7.321699  -31.14676      71.89205 
1 1 1 1   -17 5  o 138.3607 55.30101 -2.395962      6.256503  14.64255       8.674778  -107.8699      92.28053 
1 1 1 1   -17 6  o 188.6930 59.08564 11.12656       7.140055  7.566148       8.380962  22.05067       98.22884 
1 1 1 1   -17 7  o 121.5009 51.80930 6.447658       6.963574  -2.970129      6.795801  45.63715       84.63695 
1 1 1 1   -17 8  o 231.6377 66.44744 0.000000       0.000000  16.71695       7.102160  ?              ?        
1 1 1 1   -17 9  o 126.1108 53.27899 3.407982       7.034868  1.748543       7.292390  6.199280       85.90053 
1 1 1 1   -17 10 o 113.6772 49.76977 -0.6371559     6.272134  3.773702       7.199836  -23.79037      81.31915 
1 1 1 1   -17 11 o 96.09547 45.43364 -3.845246      6.974212  -1.624291      7.331863  -8.846725      75.52178 
1 1 1 1   -17 12 o 158.2354 58.37211 5.904447       7.413958  10.07456       7.716345  -21.65318      92.58547 
1 1 1 1   -17 13 o 158.0836 58.92532 13.03631       7.606592  3.452526       7.883502  47.26509       91.79995 
1 1 1 1   -17 14 o 110.9394 49.99128 1.407783       6.810926  1.091674       7.802258  -2.856354      79.84743 
1 1 1 1   -16 0  o 253.4540 38.35700 14.37688       5.041979  16.22721       7.205656  -8.193237      81.14223 
1 1 1 1   -16 1  o 67.07253 33.35463 -7.725780      4.454832  -13.34837      7.527736  -21.62234      63.12637 
1 1 1 1   -16 2  o 349.2554 31.50863 26.82924       6.043927  29.00092       7.789485  -8.151520      66.93685 
1 1 1 1   -16 3  o 201.0553 47.43156 9.357991       5.379294  10.24349       6.388507  -8.476227      86.62720 
1 1 1 1   -16 4  o 80.22624 38.75467 -5.709419      5.302192  -6.674593      6.568364  -11.34290      69.05978 
1 1 1 1   -16 5  o 138.0192 56.67022 3.170215       7.315925  1.596610       8.325098  0.8268280      93.11920 
1 1 1 1   -16 6  o 485.7280 33.17079 63.85378       10.51150  46.57427       9.443349  78.30978       68.78840 
1 1 1 1   -16 7  o 120.1034 50.59065 4.511243       6.605917  -1.327536      6.258083  32.82641       83.31092 
1 1 1 1   -16 8  o 351.3736 36.45489 25.89016       8.447153  32.04118       7.331831  -52.31433      80.92799 
1 1 1 1   -16 9  o 125.3375 52.42358 1.471905       6.854756  3.467300       6.793391  -9.289139      84.94411 
1 1 1 1   -16 10 o 102.0523 46.34958 -6.301656      6.000768  5.945614       6.853735  -57.91984      78.93681 
1 1 1 1   -16 11 o 104.6676 47.27811 -1.832058      5.962295  1.746659       7.312835  -23.05890      78.78654 
1 1 1 1   -16 12 o 131.3644 53.06995 6.097131       6.338952  1.804008       7.093709  18.61726       84.30120 
1 1 1 1   -16 13 o 103.1922 46.15564 -2.863197      5.851042  3.964720       6.292014  -31.61275      75.91833 
1 1 1 1   -16 14 o 96.84635 44.79401 2.450105       6.460237  -4.189946      6.228406  24.85669       73.91791 
1 1 1 1   -16 15 f 113.1444 49.72107 3.458758       6.684154  0.5042389      6.779285  11.23343       79.24057 
1 1 1 1   -15 0  o 155.9123 49.27595 6.402894       4.510919  3.810234       6.876151  6.448868       83.92220 
1 1 1 1   -15 1  o 146.2325 48.76202 5.271488       4.401745  3.724960       6.623318  -2.511261      82.62860 
1 1 1 1   -15 2  o 237.6833 37.27060 8.110614       4.784512  21.19513       6.071902  -115.5806      73.04489 
1 1 1 1   -15 3  o 183.2787 45.80402 8.290560       4.718966  7.720356       5.845184  3.281387       82.22318 
1 1 1 1   -15 4  o 366.7082 31.08265 26.74093       6.546196  35.24538       7.573680  -50.79404      63.94644 
1 1 1 1   -15 5  o 449.2409 33.13887 45.92194       8.726904  45.41293       9.688061  5.866913       68.53709 
1 1 1 1   -15 6  o 141.2652 54.76449 4.209382       6.618792  2.710282       7.109488  5.378601       89.86855 
1 1 1 1   -15 7  o 188.4876 51.27910 17.10902       6.167889  0.6030257      6.139681  128.8386       79.83929 
1 1 1 1   -15 8  f 116.9589 48.87107 -0.6056603     5.767118  3.556379       6.089286  -25.73122      80.64551 
1 1 1 1   -15 9  o 222.1656 46.89951 19.94522       6.375154  5.412038       6.151167  120.6519       82.01319 
1 1 1 1   -15 10 o 127.3005 51.56052 2.329839       5.905064  3.719883       6.857244  -13.08926      84.14776 
1 1 1 1   -15 11 o 178.8407 54.33829 7.660854       6.336717  10.27836       6.807636  -18.67714      91.45334 
1 1 1 1   -15 12 o 147.6294 55.35181 3.838215       6.241712  8.699882       7.683068  -30.95544      90.04698 
1 1 1 1   -15 13 f 107.4979 47.73673 4.996517       6.508875  -3.492244      6.224879  37.81848       78.35342 
1 1 1 1   -15 14 o 100.4001 47.95399 -15.14857      13.02035  -1.041669      6.649127  4.825256       80.68853 
1 1 1 1   -15 15 o 120.9386 54.53648 11.10033       14.08180  -0.3451639     6.794029  45.92670       93.62122 
1 1 1 1   -15 16 o 114.2483 53.76241 0.000000       0.000000  -0.7143570     6.925487  ?              ?        
1 1 1 1   -14 0  o 340.4766 27.91891 23.83259       4.986493  30.68862       7.386776  -39.64276      59.39611 
1 1 1 1   -14 1  o 349.7355 26.54674 26.65803       5.071352  28.55115       6.692658  -8.449371      56.00069 
1 1 1 1   -14 2  o 408.7901 23.62110 31.10351       5.462865  46.18787       6.635358  -81.70740      47.83938 
1 1 1 1   -14 3  o 638.2681 30.36916 0.000000       0.000000  91.43425       8.477927  ?              ?        
1 1 1 1   -14 4  o 161.5117 48.25245 10.18829       4.828318  0.5915091      5.684118  74.13599       77.17416 
1 1 1 1   -14 5  o 280.9794 43.94780 17.71694       6.841124  19.59368       8.147200  -10.59921      89.98181 
1 1 1 1   -14 6  o 285.4500 40.97406 14.46987       6.638174  24.56243       7.543486  -77.86246      83.54771 
1 1 1 1   -14 7  o 81.34894 40.83754 0.000000       0.000000  -17.81556      6.385217  ?              ?        
1 1 1 1   -14 8  o 226.9097 45.88524 11.06508       6.079580  13.91886       6.406064  -24.67485      87.35712 
1 1 1 1   -14 9  o 398.0388 29.66962 35.24966       7.288335  37.01759       7.257923  -10.61877      61.21427 
1 1 1 1   -14 10 o 107.9162 50.81447 -4.752062      6.204099  0.000000       0.000000  ?              ?        
1 1 1 1   -14 11 o 168.4509 64.65043 15.62642       13.80942  4.636232       7.666077  58.90338       110.9052 
1 1 1 1   -14 12 o 125.2456 51.50850 1.809519       6.555148  3.600033       6.319169  -7.927261      83.42507 
1 1 1 1   -14 13 o 258.3703 45.13924 26.73309       7.280306  9.372321       6.698762  134.5847       85.65717 
1 1 1 1   -14 14 o 179.3574 55.68686 6.350599       6.878510  12.72682       6.808184  -43.06703      91.56389 
1 1 1 1   -14 15 o 114.9465 50.22871 3.000103       6.922475  0.2565167      6.652337  12.80032       81.11299 
1 1 1 1   -14 16 o 85.18762 41.52886 -2.439637      8.347502  -7.867939      6.304574  26.70443       72.37740 
1 1 1 1   -14 17 o 104.1357 47.67611 -2.758813      6.896755  2.661384       6.965892  -18.84538      77.39722 
1 1 1 1   -13 0  o 322.7295 26.45535 21.72690       4.555018  26.54379       6.405676  -29.10913      55.90696 
1 1 1 1   -13 1  o 116.4934 44.71198 2.000095       4.073729  2.501450       5.196395  -14.79195      74.64674 
1 1 1 1   -13 2  o 164.9653 43.12041 4.856393       4.066126  8.717474       4.999291  -41.52290      75.96342 
1 1 1 1   -13 3  o 491.1081 21.21280 56.06738       6.340481  50.60919       6.559332  25.94312       42.92101 
1 1 1 1   -13 4  o 141.6574 47.05872 1.131054       4.544077  8.688852       5.176688  -68.35162      76.72881 
1 1 1 1   -13 5  o 501.7737 22.15921 53.25888       6.489836  59.36886       7.350888  -26.31927      44.84621 
1 1 1 1   -13 6  o 523.8297 27.37901 58.92218       8.524875  64.36970       9.251013  -22.25049      55.59986 
1 1 1 1   -13 7  o 297.2664 50.61695 20.93091       6.363704  0.000000       0.000000  ?              ?        
1 1 1 1   -13 8  f 154.5635 62.56433 3.268242       6.583695  0.000000       0.000000  ?              ?        
1 1 1 1   -13 9  o 297.9802 46.83906 28.61194       10.57304  17.71741       7.145500  65.20740       97.49712 
1 1 1 1   -13 10 o 234.7407 62.69002 14.32737       6.576603  0.000000       0.000000  ?              ?        
1 1 1 1   -13 11 o 116.3538 50.69904 -0.3235944     6.683470  0.9215686      7.070430  -8.746780      84.04983 
1 1 1 1   -13 12 o 191.1444 53.55734 15.50523       6.859622  4.665422       6.373229  82.45290       89.23296 
1 1 1 1   -13 13 o 244.0106 46.31056 18.43912       7.011077  12.69551       6.522282  45.20505       90.71305 
1 1 1 1   -13 14 o 173.7121 55.70836 8.194039       6.933241  8.901591       6.668926  -4.810913      92.18925 
1 1 1 1   -13 15 o 125.3536 52.94425 5.969404       7.947523  0.9352490      6.426734  28.63968       86.07416 
1 1 1 1   -13 16 o 97.19099 45.56738 5.580085       8.164955  -6.797376      6.118048  54.53746       79.84102 
1 1 1 1   -13 17 f 96.18922 44.74651 -6.441236      6.523438  3.320297       6.412556  -32.89080      74.31728 
1 1 1 1   -13 18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -12 0  o 226.2890 34.03570 11.59372       4.017953  12.47978       5.646817  -2.538803      71.89259 
1 1 1 1   -12 1  o 201.8331 39.57692 12.00221       4.303212  5.745924       5.454864  60.67390       74.53392 
1 1 1 1   -12 2  o 411.4371 21.93389 35.52042       5.307233  40.22192       5.894477  -25.12726      44.38818 
1 1 1 1   -12 3  o 361.2314 24.80731 31.07975       5.488594  27.02135       5.562259  26.29385       50.60983 
1 1 1 1   -12 4  o 390.6298 22.97513 30.25208       5.254780  38.43279       5.883694  -47.03693      46.47824 
1 1 1 1   -12 5  o 284.8272 27.76397 18.22213       4.709874  18.17632       4.988659  1.179382       57.24472 
1 1 1 1   -12 6  o 405.4514 28.33245 32.64576       6.693286  42.10291       7.545086  -51.91937      57.73168 
1 1 1 1   -12 7  o 307.3144 30.82436 19.37720       5.722622  23.45666       5.874157  -30.91562      63.98004 
1 1 1 1   -12 8  o 444.8839 25.93410 53.46430       7.285191  35.66683       6.976841  92.13672       53.44588 
1 1 1 1   -12 9  o 150.2450 60.43630 0.000000       0.000000  3.113837       6.101126  ?              ?        
1 1 1 1   -12 10 o 272.6628 44.74387 11.84893       6.397812  28.33722       8.756491  -121.0710      88.08335 
1 1 1 1   -12 11 o 109.9081 48.04564 -4.785809      6.297825  4.050038       6.129178  -41.85322      79.98892 
1 1 1 1   -12 12 o 386.9550 29.67768 32.64774       7.057055  36.04453       7.081704  -20.66895      61.54098 
1 1 1 1   -12 13 o 242.7138 45.09426 13.34937       6.679519  16.03753       6.408019  -24.89052      88.88162 
1 1 1 1   -12 14 o 330.0498 35.01151 25.48050       7.076830  26.83968       7.041173  -10.44400      75.33101 
1 1 1 1   -12 15 o 147.5871 56.22750 9.750384       8.098699  3.004399       6.449986  41.04987       91.70234 
1 1 1 1   -12 16 o 99.23408 45.65114 -0.2629195     6.695116  -2.076306      6.247700  9.749504       75.59991 
1 1 1 1   -12 17 o 128.1918 51.57519 5.246303       6.381706  2.634008       6.192399  14.38376       82.50824 
1 1 1 1   -12 18 o 123.0039 51.11153 -4.058836      6.110065  12.70852       6.793640  -86.73039      81.81282 
1 1 1 1   -11 0  o 117.1839 43.84424 3.080165       3.678786  1.738549       5.377371  -4.517052      73.15889 
1 1 1 1   -11 1  o 246.6083 50.06660 24.10190       7.121350  4.375010       7.707644  148.0262       86.19332 
1 1 1 1   -11 2  o 360.0750 38.65644 29.61299       7.868545  30.93953       9.311094  -0.9790649     82.53993 
1 1 1 1   -11 3  o 192.2432 58.89679 5.929616       7.033087  13.50814       8.560734  -57.19565      99.65308 
1 1 1 1   -11 4  o 689.1600 18.22750 96.22674       7.376938  115.8773       8.270256  -63.88800      36.63263 
1 1 1 1   -11 5  o 630.8419 17.69653 92.38784       7.153425  83.78975       6.704820  30.67706       35.54238 
1 1 1 1   -11 6  o 348.8993 30.32129 26.20721       6.477230  28.41158       6.517591  -14.73306      62.22110 
1 1 1 1   -11 7  o 570.7319 20.84406 68.22674       7.281581  76.19155       7.455846  -31.78998      41.98583 
1 1 1 1   -11 8  o 521.4128 21.81326 65.57218       7.159192  55.47064       6.926127  44.15582       44.06684 
1 1 1 1   -11 9  o 270.6158 54.81157 0.000000       0.000000  17.61379       6.282885  ?              ?        
1 1 1 1   -11 10 o 251.2803 40.78051 16.10186       6.033664  13.11101       6.249876  27.17830       81.91548 
1 1 1 1   -11 11 o 355.9317 31.13230 30.98952       6.750228  26.37618       6.860368  31.09949       64.68574 
1 1 1 1   -11 12 o 252.8435 42.62434 17.35933       6.591399  13.29675       6.313342  34.38852       85.29845 
1 1 1 1   -11 13 o 147.7289 53.27072 5.731744       6.343973  4.285115       6.150728  10.59389       87.33234 
1 1 1 1   -11 14 o 308.0216 37.43464 23.93187       7.066039  21.64966       6.947544  16.97522       80.01846 
1 1 1 1   -11 15 o 264.0586 47.22729 15.07457       8.386976  19.85878       6.772872  -49.77313      94.72978 
1 1 1 1   -11 16 o 149.9088 54.61727 15.61977       6.850407  -2.216920      6.352001  111.0678       84.04417 
1 1 1 1   -11 17 o 173.0762 55.35715 13.65624       6.730609  4.329227       6.699710  61.71333       89.35162 
1 1 1 1   -11 18 o 155.9765 54.62923 11.69161       6.417446  2.659788       6.636407  55.12683       86.48551 
1 1 1 1   -11 19 o 93.42854 42.88812 -1.410799      5.346643  -0.4001705E-01 6.034336  -10.12255      70.79885 
1 1 1 1   -10 0  o 71.85929 33.57308 -0.1518292     3.204782  -6.748879      4.545567  11.77126       57.88283 
1 1 1 1   -10 1  o 175.4329 42.87191 9.313347       4.387857  5.128529       4.906049  40.21794       75.74086 
1 1 1 1   -10 2  o 318.2682 27.10156 18.13672       5.126822  28.53353       5.491489  -75.49316      56.97688 
1 1 1 1   -10 3  o 427.5784 23.92783 40.07442       6.393476  41.98320       6.251316  -10.84747      48.72968 
1 1 1 1   -10 4  o 682.6087 26.05126 104.4573       7.785815  0.000000       0.000000  ?              ?        
1 1 1 1   -10 5  o 391.8813 35.63240 35.61319       7.822627  33.80349       9.575356  17.22525       76.21747 
1 1 1 1   -10 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -10 7  o 982.3192 28.91567 224.8824       18.08945  205.4774       17.14948  43.88220       58.32132 
1 1 1 1   -10 8  o 323.0070 27.56894 22.73247       5.472450  23.97390       5.469906  -9.016327      56.45702 
1 1 1 1   -10 9  o 455.6820 23.49654 46.32159       6.892953  46.08683       6.375874  0.1430359      47.66481 
1 1 1 1   -10 10 o 104.2994 49.08249 0.000000       0.000000  -5.572429      5.773200  ?              ?        
1 1 1 1   -10 11 o 130.6859 51.75587 2.096086       6.128508  2.787417       6.336442  -5.988098      85.43851 
1 1 1 1   -10 12 o 203.7972 52.90233 13.97334       7.160419  7.121980       6.395513  56.03435       92.41908 
1 1 1 1   -10 13 o 231.6515 53.55193 11.26810       7.657822  15.41730       7.430061  -32.80045      97.60040 
1 1 1 1   -10 14 o 224.4285 64.96779 0.000000       0.000000  13.71466       6.760443  ?              ?        
1 1 1 1   -10 15 o 288.4138 48.87405 14.32285       12.36270  23.41033       6.806291  -88.87540      101.0169 
1 1 1 1   -10 16 o 120.6655 52.56889 1.933785       9.880406  0.8086833      6.148020  25.46210       88.62326 
1 1 1 1   -10 17 o 123.2256 53.27273 5.527834       9.102713  0.2143359      6.475636  33.60281       88.39584 
1 1 1 1   -10 18 o 176.9067 64.59554 0.000000       0.000000  10.43950       6.520350  ?              ?        
1 1 1 1   -10 19 o 140.6967 53.90632 8.553692       7.068780  3.601214       6.184457  27.91695       86.12591 
1 1 1 1   -10 20 o 117.4882 50.33138 5.805952       7.252390  0.6347131      6.012434  26.84634       81.08979 
1 1 1 1   -9  0  o 285.9332 20.44993 17.27036       3.201961  19.76625       4.206844  -17.72543      42.48929 
1 1 1 1   -9  1  o 304.1830 19.59449 20.09745       3.494426  21.16511       3.893057  -7.177826      39.85783 
1 1 1 1   -9  2  o 302.3618 23.36517 20.27473       3.806179  20.88950       5.216875  -0.8966064E-01 50.32786 
1 1 1 1   -9  3  o 91.72275 38.11574 2.376545       3.523249  -1.208405      3.625481  25.28484       62.97942 
1 1 1 1   -9  4  o 290.5658 24.38212 19.20237       4.313765  18.87241       4.395870  2.999817       50.12539 
1 1 1 1   -9  5  o 286.1659 36.87414 22.43989       7.565916  17.13200       5.638412  33.64798       78.16177 
1 1 1 1   -9  6  o 523.0122 25.60180 62.91551       8.046559  58.99018       8.536966  18.51569       52.09499 
1 1 1 1   -9  7  o 165.8522 49.25870 5.021338       5.797075  7.481594       5.134904  -17.63052      83.60300 
1 1 1 1   -9  8  o 320.6926 43.50456 23.43150       8.399468  23.78495       8.463872  -2.391205      89.80705 
1 1 1 1   -9  9  f 124.8425 55.05034 1.368516       8.066580  -4.019904      8.593346  17.85860       92.52898 
1 1 1 1   -9  10 o 822.2372 28.30233 154.1222       14.25998  147.6408       14.57334  18.84210       57.27717 
1 1 1 1   -9  11 o 441.2019 30.72906 51.48970       10.93195  40.52411       7.024590  46.00171       66.47727 
1 1 1 1   -9  12 o 586.3139 26.76015 54.64869       11.04056  90.57215       8.763367  -152.5872      61.69881 
1 1 1 1   -9  13 o 198.1142 56.67272 7.921520       7.753174  11.07872       6.945529  -21.41653      96.97578 
1 1 1 1   -9  14 o 155.9126 58.45971 4.698247       10.95180  5.317641       6.212928  20.68076       99.46481 
1 1 1 1   -9  15 o 223.1556 50.08273 10.14623       7.153984  14.64330       6.428470  -38.76253      91.95007 
1 1 1 1   -9  16 f 216.6778 52.30200 11.98806       7.295784  13.05985       6.647677  -10.91429      94.80329 
1 1 1 1   -9  17 o 100.1245 47.36976 -1.450551      10.56293  -5.007852      6.458481  37.45969       83.97318 
1 1 1 1   -9  18 o 278.9357 38.81302 26.88931       6.555419  12.43848       6.513057  119.5687       81.30923 
1 1 1 1   -9  19 o 110.0437 47.10330 -0.6807677     5.829134  3.825581       5.625332  -20.89655      76.12765 
1 1 1 1   -9  20 o 132.5533 50.96035 10.92393       6.857922  1.296757       5.251420  59.02673       83.15514 
1 1 1 1   -9  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -8  0  o 94.85947 34.42669 2.732796       2.435207  0.2234577      2.838017  21.05553       56.26982 
1 1 1 1   -8  1  o 167.5760 29.47213 6.146514       2.756460  6.800374       3.195724  -8.051300      58.06448 
1 1 1 1   -8  2  o 238.2962 27.86724 14.86793       3.356220  7.377107       5.450511  76.70311       66.78619 
1 1 1 1   -8  3  o 451.3901 15.90753 45.06184       4.343459  44.97665       4.558856  0.7640686      32.02889 
1 1 1 1   -8  4  o 96.64336 38.55954 1.510340       3.512668  0.9168457      3.453769  5.511406       63.76209 
1 1 1 1   -8  5  o 376.0599 22.39804 31.08602       5.397482  32.16449       5.025050  -7.826294      45.72628 
1 1 1 1   -8  6  o 357.1964 28.78622 33.76949       7.624268  26.38886       5.521578  39.33105       60.62553 
1 1 1 1   -8  7  o 107.3312 43.96576 4.288041       4.490899  -2.585117      4.858247  41.48108       71.77208 
1 1 1 1   -8  8  o 428.2104 28.24618 40.62786       7.850153  41.20627       7.124631  -4.711700      57.76020 
1 1 1 1   -8  9  o 372.0533 44.57812 0.000000       0.000000  31.69554       7.130259  ?              ?        
1 1 1 1   -8  10 o 211.3625 56.91621 9.349195       8.765329  11.53458       6.842125  -11.26474      99.85030 
1 1 1 1   -8  11 o 156.8746 61.34511 4.919056       8.521517  3.154140       8.796009  7.382782       100.8037 
1 1 1 1   -8  12 o 476.0479 39.43880 54.08754       11.54286  49.08464       11.54103  24.85117       81.60368 
1 1 1 1   -8  13 o 566.8118 36.70954 90.43088       13.92056  59.82886       11.97391  119.1509       75.42678 
1 1 1 1   -8  14 o 461.4313 26.67724 49.79371       7.773447  46.05994       7.444077  17.79630       54.30489 
1 1 1 1   -8  15 o 159.5153 55.05014 8.590937       7.059760  4.037209       6.241341  34.44684       90.94913 
1 1 1 1   -8  16 o 123.3950 51.01939 1.821250       6.236669  2.305553       6.485414  -4.345428      83.53490 
1 1 1 1   -8  17 o 158.9560 53.04558 4.401134       5.849146  9.575471       6.467747  -37.57079      87.30563 
1 1 1 1   -8  18 o 367.5414 28.90386 30.55494       6.444589  33.04924       6.633300  -14.69006      60.83088 
1 1 1 1   -8  19 f 122.8555 48.51852 7.492499       5.748868  0.1570145      5.212105  46.68011       78.26930 
1 1 1 1   -8  20 o 137.1853 47.29727 7.749305       4.801473  2.441391       4.964556  39.27422       76.10444 
1 1 1 1   -8  21 o 111.2850 44.44323 3.435850       4.763077  2.246507       4.509654  8.717484       71.48715 
1 1 1 1   -7  0  o 346.6287 14.02209 27.33518       2.842446  25.33887       3.208306  13.58380       28.53495 
1 1 1 1   -7  1  o 593.8196 13.84701 72.02786       4.790141  84.72552       5.480638  -48.17749      27.82165 
1 1 1 1   -7  2  o 586.2281 16.76781 75.75300       5.176076  75.69387       7.766883  2.808167       36.55884 
1 1 1 1   -7  3  o 521.4787 14.46310 59.39358       4.567657  60.44783       4.788271  -4.413513      29.03908 
1 1 1 1   -7  4  o 115.6199 39.46137 2.068269       3.373633  3.598430       3.417483  -15.57262      65.45969 
1 1 1 1   -7  5  o 121.4025 43.19512 3.119315       4.286002  2.947288       3.921251  4.602417       71.52103 
1 1 1 1   -7  6  o 378.4632 23.01799 31.29408       5.648804  32.73970       5.143356  -10.46255      47.17360 
1 1 1 1   -7  7  o 189.4978 43.75586 10.42601       5.125988  7.040735       4.957338  32.72629       79.48333 
1 1 1 1   -7  8  o 492.9402 21.72491 49.37422       8.033589  56.39314       5.768778  -38.14645      47.73563 
1 1 1 1   -7  9  o 126.9028 46.72442 6.513241       5.216031  0.3290546      4.535828  54.03083       76.78526 
1 1 1 1   -7  10 o 435.7215 22.65022 37.52627       6.200645  46.35448       6.006096  -47.17258      46.21041 
1 1 1 1   -7  11 o 198.3634 73.24117 8.143082       8.419969  0.000000       0.000000  ?              ?        
1 1 1 1   -7  12 o 439.7826 34.26873 42.50669       9.936068  44.68876       8.730411  -15.47421      71.46516 
1 1 1 1   -7  13 o 437.2651 39.93827 37.48797       10.75039  49.61069       10.67713  -66.31039      84.10522 
1 1 1 1   -7  14 o 603.0444 31.51749 81.16169       11.62369  82.61203       11.87881  -4.879211      64.16160 
1 1 1 1   -7  15 o 464.9975 36.54361 10.74320       8.532362  167.3643       14.81427  -643.2341      84.15656 
1 1 1 1   -7  16 o 281.7818 38.77434 13.89913       6.878974  23.06517       6.348975  -79.08936      81.80875 
1 1 1 1   -7  17 o 128.5081 48.94506 4.661138       5.312302  2.186961       5.504226  15.19803       79.66315 
1 1 1 1   -7  18 o 251.3051 36.09068 24.48812       5.628845  7.215699       5.314599  149.9961       72.02946 
1 1 1 1   -7  19 o 259.1156 32.41222 20.39666       5.227134  12.50753       4.974498  70.52664       69.46324 
1 1 1 1   -7  20 o 76.46116 35.87161 -1.200533      4.298497  -2.994091      4.307298  7.615112       60.78005 
1 1 1 1   -7  21 o 161.2410 44.86512 11.89966       4.730304  3.120743       4.575541  76.90429       73.63940 
1 1 1 1   -7  22 o 111.1052 44.36407 4.667351       4.836085  1.443235       4.419810  22.05132       71.34998 
1 1 1 1   -6  0  o 781.8580 14.00614 130.0242       6.591154  139.2383       7.014637  -26.66357      28.08407 
1 1 1 1   -6  1  o 1211.490 19.23388 309.8181       13.98275  338.5242       14.97747  -53.38818      38.55696 
1 1 1 1   -6  2  o 526.6215 15.32967 61.85225       4.275786  59.27732       6.296507  12.86371       33.41934 
1 1 1 1   -6  3  o 91.11762 33.70443 1.034541       2.472739  1.902392       2.577911  -10.72252      55.79120 
1 1 1 1   -6  4  o 404.7996 16.94627 35.98248       4.316406  36.32137       4.178723  -2.084259      34.10187 
1 1 1 1   -6  5  o 275.7504 23.45959 18.27069       4.124657  15.85166       3.840149  19.73932       47.93839 
1 1 1 1   -6  6  o 946.0184 25.04411 199.7104       10.38303  0.000000       0.000000  ?              ?        
1 1 1 1   -6  7  o 361.2699 35.85047 30.09839       5.606178  0.000000       0.000000  ?              ?        
1 1 1 1   -6  8  o 515.7544 28.05706 0.000000       0.000000  60.00766       6.323360  ?              ?        
1 1 1 1   -6  9  o 456.0446 20.30745 51.79841       5.784001  40.67535       5.678349  56.01401       41.20574 
1 1 1 1   -6  10 o 492.7175 19.99236 47.47020       5.998858  60.31657       6.201875  -59.61115      40.40641 
1 1 1 1   -6  11 o 889.0145 25.84727 175.3079       10.06847  0.000000       0.000000  ?              ?        
1 1 1 1   -6  12 o 389.6013 25.13203 35.56587       6.346166  32.38013       5.776797  17.71695       51.05424 
1 1 1 1   -6  13 o 161.4413 50.78570 -3.066241      5.876493  13.97070       5.487655  -125.6127      74.87939 
1 1 1 1   -6  14 o 282.0490 53.30103 20.78403       9.405616  17.42786       8.614365  23.35773       103.6127 
1 1 1 1   -6  15 o 274.1148 58.22729 10.17125       9.670753  26.63461       9.520941  -113.3024      104.5115 
1 1 1 1   -6  16 o 129.5916 51.44885 3.188157       5.135122  1.388606       8.274324  -13.28592      86.65281 
1 1 1 1   -6  17 o 103.8420 46.09058 -0.1178868     5.687751  -1.128796      6.191514  0.1144791      76.96538 
1 1 1 1   -6  18 o 99.27877 42.87762 -2.206127      4.528162  3.994283       5.188436  -41.20910      71.64250 
1 1 1 1   -6  19 o 122.1615 43.18674 2.860978       3.945386  4.375573       4.238742  -14.21790      70.92418 
1 1 1 1   -6  20 o 109.3631 42.69032 1.488894       4.215500  3.532740       4.156415  -14.19456      69.16229 
1 1 1 1   -6  21 o 98.16928 41.89386 -0.5118182     4.650680  2.577975       4.369874  -15.42291      68.07316 
1 1 1 1   -6  22 o 111.3868 44.46790 1.223439       4.694098  4.414843       4.577395  -19.45670      71.21528 
1 1 1 1   -5  0  o 82.36031 29.37382 0.5900762      1.716545  2.362456       2.138508  -29.02831      49.06361 
1 1 1 1   -5  1  o 240.0891 13.91322 12.29442       1.903474  13.30023       2.271461  -9.142975      28.30973 
1 1 1 1   -5  2  o 266.0065 14.28976 13.79143       2.284844  17.61865       2.419515  -32.87718      28.83905 
1 1 1 1   -5  3  o 437.4140 17.74372 42.17373       3.397317  0.000000       0.000000  ?              ?        
1 1 1 1   -5  4  o 225.3549 34.66106 11.54970       3.316576  0.000000       0.000000  ?              ?        
1 1 1 1   -5  5  f 389.1950 17.56363 33.18723       4.359829  33.65974       4.109989  -3.094940      35.42216 
1 1 1 1   -5  6  o 308.7147 22.90216 27.03420       4.771437  17.08318       4.030806  72.34546       46.73733 
1 1 1 1   -5  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -5  8  o 201.9233 40.68760 5.171174       4.943645  14.20542       4.896892  -87.33632      73.86904 
1 1 1 1   -5  9  f 524.0052 18.93440 58.90145       5.734557  63.78408       6.657229  -19.36029      38.42057 
1 1 1 1   -5  10 o 211.4687 56.22491 0.000000       0.000000  10.82449       5.304764  ?              ?        
1 1 1 1   -5  11 o 362.2669 29.30790 30.00739       5.516738  27.82444       8.437467  21.66812       67.79575 
1 1 1 1   -5  12 o 300.1834 28.71743 20.61652       5.335622  19.81256       5.230648  6.022095       59.04198 
1 1 1 1   -5  13 o 939.8255 26.50484 196.6733       10.91540  0.000000       0.000000  ?              ?        
1 1 1 1   -5  14 o 86.79192 40.49859 1.007122       5.186887  -8.334076      5.557096  35.82605       70.29382 
1 1 1 1   -5  15 f 620.7189 27.62564 86.09370       7.502728  0.000000       0.000000  ?              ?        
1 1 1 1   -5  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -5  17 f 208.0382 62.54191 11.19604       8.948482  11.60301       8.512610  -2.315781      105.8363 
1 1 1 1   -5  18 o 145.9568 58.66603 9.780030       8.297435  -0.9266481     7.960087  53.87054       94.73606 
1 1 1 1   -5  19 o 85.03043 38.48412 0.5653496      3.993577  -3.236315      4.837743  9.764587       64.41675 
1 1 1 1   -5  20 f 329.4429 29.00060 28.06498       5.785161  23.24654       5.950611  37.27045       62.34979 
1 1 1 1   -5  21 o 113.3976 46.08713 -0.9558061     4.912669  6.828724       5.256669  -48.18791      74.24741 
1 1 1 1   -5  22 f 67.86002 32.63172 -5.509824      4.151436  -1.060214      3.910498  -14.34406      56.18440 
1 1 1 1   -5  23 o 101.9921 40.37548 2.244408       4.067084  2.408282       3.562625  1.689651       65.15072 
1 1 1 1   -4  0  o 614.2174 11.18844 79.36623       4.176502  86.63026       4.354953  -26.90485      22.41758 
1 1 1 1   -4  1  o 345.1682 10.21660 24.15475       2.043341  28.88483       2.361205  -30.96210      20.50690 
1 1 1 1   -4  2  o 563.4933 10.94789 68.45689       3.783681  71.04801       3.871424  -10.45868      21.93849 
1 1 1 1   -4  3  o 788.4123 15.63896 137.5254       6.735977  135.0931       9.072648  8.729614       32.86004 
1 1 1 1   -4  4  o 585.2181 12.93365 76.10698       4.756138  74.42399       4.636569  6.503601       25.93765 
1 1 1 1   -4  5  o 574.3403 14.99947 71.44082       5.337452  73.73875       5.341279  -9.147156      30.07966 
1 1 1 1   -4  6  o 116.6099 41.55690 7.701255       3.929828  -1.719377      3.661344  87.40460       64.30759 
1 1 1 1   -4  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -4  8  o 112.0479 44.18123 2.727526       4.535725  0.9709123      4.507891  12.92819       72.82392 
1 1 1 1   -4  9  o 313.8557 27.51926 21.99524       5.165145  22.69207       5.453814  -4.034271      56.83987 
1 1 1 1   -4  10 o 148.4955 57.70274 0.000000       0.000000  3.911103       5.387837  ?              ?        
1 1 1 1   -4  11 o 241.9875 44.35414 17.70951       6.619409  10.12805       6.224238  65.49506       85.23270 
1 1 1 1   -4  12 o 755.5390 20.02817 139.1335       8.654383  107.4825       10.32115  99.25952       42.21032 
1 1 1 1   -4  13 o 535.2605 36.24651 0.000000       0.000000  64.59705       8.459868  ?              ?        
1 1 1 1   -4  14 o 791.6601 19.85959 147.6634       8.957123  125.8124       10.78567  66.74701       41.43564 
1 1 1 1   -4  15 o 362.9517 23.69231 29.52826       5.052327  29.12251       5.600010  3.820618       48.40700 
1 1 1 1   -4  16 o 354.1342 23.36425 28.00688       4.729116  28.01804       5.584749  2.216156       48.24203 
1 1 1 1   -4  17 o 333.2824 23.76831 31.63223       4.742131  17.47067       5.034268  102.8207       52.80079 
1 1 1 1   -4  18 o 124.7420 44.88503 4.952462       4.134657  1.302793       4.801502  23.89190       73.04883 
1 1 1 1   -4  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -4  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -4  21 o 201.6300 51.92739 11.70743       4.620307  0.000000       0.000000  ?              ?        
1 1 1 1   -4  22 o 99.40600 41.15556 6.172305       4.525393  -1.638834      3.845781  56.45210       67.55180 
1 1 1 1   -4  23 o 227.1821 32.52039 15.67322       4.606493  10.76991       4.312798  46.78702       69.09502 
1 1 1 1   -3  0  o 1395.342 21.11760 432.9836       18.40804  425.0337       18.15172  12.83923       42.33237 
1 1 1 1   -3  1  f 212.1308 11.01001 10.32565       1.429797  9.473095       1.458304  9.273117       22.19305 
1 1 1 1   -3  2  f 360.3554 8.803742 28.22064       1.953266  28.79163       1.982975  -3.605042      17.65188 
1 1 1 1   -3  3  o 499.5208 10.19521 52.30780       3.087463  57.49812       3.236007  -23.64233      20.43110 
1 1 1 1   -3  4  o 124.3226 30.59018 4.597670       2.459558  2.691895       2.241142  27.96610       54.24432 
1 1 1 1   -3  5  o 629.9583 13.38319 87.73360       5.352246  86.71348       5.115453  3.565247       26.85580 
1 1 1 1   -3  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -3  7  o 482.4117 22.16443 51.54399       4.677499  0.000000       0.000000  ?              ?        
1 1 1 1   -3  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -3  9  o 217.2368 36.78136 12.67462       4.640595  9.220478       4.932415  35.73100       73.17953 
1 1 1 1   -3  10 o 354.9945 25.97669 25.64814       5.846128  30.88536       5.528636  -35.88452      53.96675 
1 1 1 1   -3  11 o 116.5796 46.33639 1.593643       5.692915  2.025911       4.526475  8.375900       77.09593 
1 1 1 1   -3  12 o 538.1635 16.44986 65.31031       5.326715  62.23700       5.658449  13.45142       33.15339 
1 1 1 1   -3  13 o 578.9359 15.56870 77.65410       5.633383  70.17591       5.539886  29.46722       31.25895 
1 1 1 1   -3  14 o 1046.717 18.33059 244.3450       11.94890  239.5648       11.85575  10.66187       36.80816 
1 1 1 1   -3  15 o 441.0659 17.04118 42.11873       4.634176  43.91049       4.673540  -9.267059      34.29166 
1 1 1 1   -3  16 o 145.7892 50.91958 4.528656       4.006327  0.000000       0.000000  ?              ?        
1 1 1 1   -3  17 o 469.8667 18.32254 49.08156       5.157433  48.91349       5.521579  1.608337       37.04217 
1 1 1 1   -3  18 o 200.6946 33.58696 9.284410       3.802337  9.727863       4.313381  -2.831299      67.56857 
1 1 1 1   -3  19 o 257.2521 26.24760 12.96352       3.831522  18.38215       4.511059  -45.43501      54.87172 
1 1 1 1   -3  20 o 327.3020 24.01789 29.35185       5.012298  20.58603       4.688776  61.09915       50.30933 
1 1 1 1   -3  21 o 118.3803 46.53976 0.000000       0.000000  3.058254       3.538570  ?              ?        
1 1 1 1   -3  22 o 131.4847 60.35328 2.433651       7.922696  0.000000       0.000000  ?              ?        
1 1 1 1   -3  23 o 143.6306 64.12305 6.761507       8.229111  0.000000       0.000000  ?              ?        
1 1 1 1   -3  24 o 96.03743 38.85641 1.373439       3.341187  2.653601       3.902900  -12.47595      62.99019 
1 1 1 1   -2  0  o 656.6283 10.52343 91.61860       4.179006  98.05139       4.402535  -22.25330      21.06227 
1 1 1 1   -2  1  o 433.3463 8.073700 40.66543       2.169327  41.76058       2.171317  -5.768707      16.17379 
1 1 1 1   -2  2  o 500.4020 8.979098 53.63206       2.715243  56.44300       2.865199  -12.75510      17.99309 
1 1 1 1   -2  3  o 733.8510 11.88356 122.0462       5.525986  114.8103       5.300396  22.39667       23.78546 
1 1 1 1   -2  4  o 88.65520 30.02267 2.626459       2.083931  0.8052690      1.864149  27.04578       49.77361 
1 1 1 1   -2  5  o 150.0165 28.53738 4.871954       2.565063  5.401427       2.552248  -7.377090      54.77967 
1 1 1 1   -2  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -2  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -2  8  o 75.77249 35.02502 -2.970705      3.765557  -1.211853      3.979413  -12.55114      60.73202 
1 1 1 1   -2  9  o 99.72884 40.52508 1.469061       3.897441  0.6405270      3.950945  5.505081       67.12439 
1 1 1 1   -2  10 o 341.0428 20.87301 22.51550       4.282026  29.84630       4.516670  -49.12921      42.59844 
1 1 1 1   -2  11 o 355.3275 18.24167 26.39477       3.776646  30.18826       4.286174  -23.34354      36.92976 
1 1 1 1   -2  12 o 633.2634 14.09197 92.80386       5.548655  83.84146       5.522834  32.35919       28.32131 
1 1 1 1   -2  13 o 550.7457 14.05859 67.89271       4.893497  65.74481       4.709843  8.755615       28.20190 
1 1 1 1   -2  14 o 458.9579 15.23676 48.38287       4.508165  44.78371       4.174834  17.56183       30.62269 
1 1 1 1   -2  15 o 582.5847 15.12296 78.42267       5.613562  71.69869       5.319601  26.02728       30.36424 
1 1 1 1   -2  16 o 718.8178 15.92110 120.3746       7.363250  108.3544       6.861625  37.61853       31.99086 
1 1 1 1   -2  17 o 79.18656 34.54425 -0.2930569     3.319084  -0.3618496     3.087053  3.916687       58.25554 
1 1 1 1   -2  18 o 463.9229 16.33986 51.16026       4.820211  44.65356       4.578993  31.65616       32.92865 
1 1 1 1   -2  19 o 152.3330 33.83442 5.502292       3.161982  5.661683       3.068159  -2.036072      62.63566 
1 1 1 1   -2  20 o 129.2531 37.53282 6.558454       3.204375  1.833763       3.168734  51.84046       62.00447 
1 1 1 1   -2  21 o 89.43885 36.18777 0.7109835      3.136950  1.644137       3.090534  -7.031372      59.30527 
1 1 1 1   -2  22 o 263.1392 23.25130 15.12235       3.764481  17.23894       3.748201  -19.54816      49.12360 
1 1 1 1   -2  23 o 156.9253 37.20103 5.168498       3.708727  7.663182       3.438235  -28.85426      67.06291 
1 1 1 1   -2  24 o 212.1905 43.96232 28.15392       8.667870  8.796480       4.447627  101.0595       90.30739 
1 1 1 1   -1  0  o 599.2440 9.363880 78.55911       3.469603  79.09522       3.492052  -2.033569      18.73621 
1 1 1 1   -1  1  o 250.0629 5.552536 14.32053       0.8808910 13.16713       0.8429694 10.50758       11.12619 
1 1 1 1   -1  2  o 118.9799 9.111208 2.717711       0.6672176 3.533532       0.6674687 -15.93501      18.65748 
1 1 1 1   -1  3  o 289.4488 7.134826 18.56469       1.280127  18.20257       1.282007  2.859253       14.30500 
1 1 1 1   -1  4  o 191.3983 15.09071 8.076882       1.895846  8.122229       1.678378  -0.9777679     30.88245 
1 1 1 1   -1  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -1  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   -1  7  o 239.3035 18.79526 11.46375       2.801239  13.85734       2.735309  -23.43752      38.50999 
1 1 1 1   -1  8  f 468.2071 12.85862 48.58243       3.819516  47.92070       3.648557  3.089813       25.80476 
1 1 1 1   -1  9  o 165.0103 29.73951 5.969265       3.073826  6.515589       2.808432  -7.347595      58.18283 
1 1 1 1   -1  10 o 357.0246 20.54202 28.42716       3.203356  0.000000       0.000000  ?              ?        
1 1 1 1   -1  11 o 361.5305 15.35015 28.68833       3.412148  29.22594       3.457634  -3.322632      30.93274 
1 1 1 1   -1  12 o 348.2734 15.80920 30.99247       3.400262  22.62178       3.412839  55.48993       32.30136 
1 1 1 1   -1  13 o 1008.552 24.37927 225.3876       10.78501  0.000000       0.000000  ?              ?        
1 1 1 1   -1  14 o 234.9776 20.39973 12.90118       2.974404  11.69429       2.914628  11.85519       41.65705 
1 1 1 1   -1  15 f 1067.373 18.13340 263.3728       12.47615  241.5338       11.58595  45.61609       36.41455 
1 1 1 1   -1  16 o 581.8149 15.05023 74.20672       5.459157  75.14554       5.395886  -3.775879      30.22176 
1 1 1 1   -1  17 o 145.4927 48.89677 4.702881       3.685404  0.000000       0.000000  ?              ?        
1 1 1 1   -1  18 o 167.1296 32.07586 7.649831       3.330376  5.573308       3.091959  25.47913       61.53933 
1 1 1 1   -1  19 o 136.5591 37.15391 5.094308       3.112211  3.824379       3.363088  13.69321       64.49820 
1 1 1 1   -1  20 o 114.7024 37.76414 5.861162       3.342058  0.9991534      2.924248  53.40836       61.65271 
1 1 1 1   -1  21 o 118.1781 38.42545 0.8063411      3.383863  5.653014       3.089855  -46.60187      61.69938 
1 1 1 1   -1  22 o 203.9947 27.89699 9.352427       3.571781  10.55164       3.317774  -16.55971      59.07593 
1 1 1 1   -1  23 o 125.8554 38.06550 3.756109       3.332644  4.680764       3.125522  -9.530869      64.11178 
1 1 1 1   -1  24 o 191.9107 29.65910 6.305061       3.527009  11.87332       3.316828  -67.58131      60.65622 
1 1 1 1   -1  25 f 84.28947 35.13992 3.416389       3.292217  -0.5493705     2.856458  32.95277       57.57287 
1 1 1 1   0   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   0   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   0   2  o 453.8233 9.984088 47.30044       2.905854  43.38240       2.724284  19.61038       20.01701 
1 1 1 1   0   3  o 290.7809 8.504593 17.27161       1.403866  20.49179       1.704210  -24.94489      17.14173 
1 1 1 1   0   4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   0   5  o 84.65401 26.62592 2.982351       1.549444  0.1074907      1.569035  43.67654       42.50762 
1 1 1 1   0   6  o 734.9968 11.92429 116.3791       5.385422  121.0092       5.489446  -14.32953      23.86578 
1 1 1 1   0   7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   0   8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   0   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   0   10 o 366.8047 18.16880 29.85871       2.914128  0.000000       0.000000  ?              ?        
1 1 1 1   0   11 o 295.5967 14.53547 18.54260       2.680821  20.14051       2.634035  -12.56473      29.37412 
1 1 1 1   0   12 o 302.5500 15.53198 21.44588       2.665537  18.56945       3.223989  23.32727       32.53135 
1 1 1 1   0   13 o 259.1035 16.60518 15.11849       2.613921  14.59261       2.697778  4.854584       33.61996 
1 1 1 1   0   14 o 276.3970 16.83729 16.51124       2.850850  17.29468       2.895958  -6.465637      34.00277 
1 1 1 1   0   15 o 215.4724 21.74656 9.586461       2.778261  11.28469       2.964731  -17.94658      44.69757 
1 1 1 1   0   16 o 415.3646 14.70914 38.37663       3.757672  37.78871       3.810816  3.323608       29.57224 
1 1 1 1   0   17 o 304.8197 18.81380 22.51637       3.670116  18.96967       3.422972  26.33398       38.07615 
1 1 1 1   0   18 o 169.0007 31.23670 8.235500       3.290656  5.287378       3.033235  36.40627       60.19080 
1 1 1 1   0   19 o 315.4747 17.87701 23.19909       3.607455  21.32568       3.372651  12.99301       36.24702 
1 1 1 1   0   20 o 438.4301 16.03273 47.99281       4.462306  38.20279       4.251417  50.70877       32.47718 
1 1 1 1   0   21 o 121.9324 36.94039 2.603178       3.186076  4.658394       2.902795  -21.42899      61.90206 
1 1 1 1   0   22 o 264.2300 20.95660 16.43028       3.454395  15.70683       3.361172  5.755905       43.50293 
1 1 1 1   0   23 o 183.3036 32.81692 11.34765       3.490649  5.318100       3.708176  70.14862       63.19092 
1 1 1 1   0   24 f 90.26721 36.29170 0.1616862      3.228144  2.782503       3.003266  -18.60464      58.52568 
1 1 1 1   0   25 o 106.6254 37.96716 3.179259       3.332258  2.956511       3.014742  2.999573       61.72548 
1 1 1 1   1   0  o 978.1617 20.83520 210.7674       8.939427  0.000000       0.000000  ?              ?        
1 1 1 1   1   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   1   2  o 509.3980 10.98316 54.69900       3.362555  59.57866       3.589711  -21.74420      22.02162 
1 1 1 1   1   3  o 182.3183 7.258142 7.305524       0.5792797 0.000000       0.000000  ?              ?        
1 1 1 1   1   4  o 520.4860 15.71943 59.61740       3.584669  0.000000       0.000000  ?              ?        
1 1 1 1   1   5  o 91.68644 15.60060 1.899502       0.6049550 0.000000       0.000000  ?              ?        
1 1 1 1   1   6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   1   7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   1   8  o 75.68501 27.99021 0.000000       0.000000  0.9915538      1.230606  ?              ?        
1 1 1 1   1   9  o 73.22639 30.02572 0.4176398      1.540035  0.000000       0.000000  ?              ?        
1 1 1 1   1   10 o 79.87637 27.98533 0.3696839E-01  1.727775  2.465937       1.697077  -32.52981      45.22499 
1 1 1 1   1   11 o 74.42230 28.59269 -1.417334      1.871580  3.070210       1.839605  -52.17412      44.73410 
1 1 1 1   1   12 o 209.8567 22.34025 9.932546       2.024848  0.000000       0.000000  ?              ?        
1 1 1 1   1   13 o 636.8638 17.10607 89.61969       4.774245  0.000000       0.000000  ?              ?        
1 1 1 1   1   14 o 78.96369 30.47001 3.422161       2.139924  -1.466245      2.088076  55.18857       48.13589 
1 1 1 1   1   15 o 850.6079 20.79013 159.9972       7.756894  0.000000       0.000000  ?              ?        
1 1 1 1   1   16 o 183.3813 21.55941 7.747688       2.457138  7.383933       2.357359  4.312393       44.46186 
1 1 1 1   1   17 o 167.1336 27.77212 7.070005       2.797715  5.739074       2.759294  17.56770       55.14526 
1 1 1 1   1   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   1   19 o 281.9719 18.39703 18.68978       3.257783  16.86821       3.145772  14.63303       37.37934 
1 1 1 1   1   20 o 253.1423 20.51975 14.42352       3.178258  14.53157       3.211202  -0.8383789     42.16663 
1 1 1 1   1   21 o 326.6537 18.22273 22.48021       3.609103  25.82841       3.750654  -23.10995      37.20008 
1 1 1 1   1   22 o 294.0298 20.83529 19.04329       3.652925  20.70858       3.911506  -11.45248      43.05592 
1 1 1 1   1   23 o 69.30656 31.51197 1.899222       3.125310  -2.855125      2.820822  33.71456       53.79470 
1 1 1 1   1   24 o 146.2601 35.51482 4.500153       3.343026  6.675591       3.055454  -26.47949      63.49361 
1 1 1 1   1   25 o 66.65141 30.91883 -1.089247      3.263468  -1.005407      2.881264  3.999084       51.92543 
1 1 1 1   2   0  o 191.5973 10.86576 7.411207       1.256701  8.828867       1.317709  -16.92082      21.89994 
1 1 1 1   2   1  o 273.1500 11.38902 0.000000       0.000000  16.41339       1.361555  ?              ?        
1 1 1 1   2   2  o 660.5767 14.85124 95.91709       4.303159  0.000000       0.000000  ?              ?        
1 1 1 1   2   3  o 273.8470 7.043506 15.68021       1.176740  17.30451       1.215204  -13.52124      14.10936 
1 1 1 1   2   4  o 309.3479 8.632390 22.52218       1.623561  19.39622       1.688110  23.18021       17.41025 
1 1 1 1   2   5  o 403.6818 9.413128 37.15424       2.408751  34.50245       2.308751  14.94836       18.87139 
1 1 1 1   2   6  o 228.5354 11.65014 11.50029       1.163993  0.000000       0.000000  ?              ?        
1 1 1 1   2   7  o 546.9705 8.779514 64.34292       2.935956  67.07500       3.023709  -11.36267      17.56697 
1 1 1 1   2   8  o 97.53692 15.08031 2.026555       0.8838137 2.255448       0.8822213 -5.311630      30.25173 
1 1 1 1   2   9  o 524.9333 10.69024 61.37934       3.064089  59.03173       4.133155  11.01837       22.54696 
1 1 1 1   2   10 o 661.2598 10.97856 99.46147       4.609381  93.18771       4.404278  21.47089       21.99141 
1 1 1 1   2   11 o 426.3359 13.82716 40.16781       2.582328  0.000000       0.000000  ?              ?        
1 1 1 1   2   12 o 117.4317 31.49052 3.244653       1.655249  0.000000       0.000000  ?              ?        
1 1 1 1   2   13 o 67.25272 26.51577 0.4952089      1.554972  0.6896549      1.713687  -5.311874      44.04858 
1 1 1 1   2   14 o 486.1933 10.58320 52.23195       3.213550  51.67859       3.170580  2.567444       21.22494 
1 1 1 1   2   15 o 649.5305 12.05380 89.67204       4.771982  96.11575       4.946064  -22.51788      24.16986 
1 1 1 1   2   16 o 501.0805 11.98630 52.52321       3.645308  58.23985       3.811677  -25.89899      24.06320 
1 1 1 1   2   17 o 570.1379 18.33204 0.000000       0.000000  71.97607       4.578542  ?              ?        
1 1 1 1   2   18 o 51.30770 25.85245 0.000000       0.000000  -8.379745      2.686177  ?              ?        
1 1 1 1   2   19 o 400.6741 14.26274 34.74707       3.569977  36.27920       3.509399  -8.907532      28.72694 
1 1 1 1   2   20 o 390.2644 14.58839 33.67999       3.490841  33.98814       3.561157  -1.615234      29.42582 
1 1 1 1   2   21 o 166.7447 29.33738 5.412403       2.864462  7.963045       2.986913  -32.45079      57.77710 
1 1 1 1   2   22 o 266.3755 19.76427 15.24069       3.175873  17.28394       3.313601  -17.09550      40.81703 
1 1 1 1   2   23 o 142.9106 33.43482 5.316307       2.859298  5.136977       2.965695  2.654099       61.18389 
1 1 1 1   2   24 o 172.6616 30.81138 8.885111       3.177866  6.269073       3.180127  32.49294       61.34768 
1 1 1 1   2   25 o 142.0880 37.64270 2.847967       3.497474  8.162423       3.256079  -56.64368      62.92799 
1 1 1 1   2   26 o 65.28460 30.43933 -2.081415      3.221330  -0.2722051     2.852147  -5.030525      50.83942 
1 1 1 1   3   0  o 1106.641 17.04836 267.0916       11.62782  271.7259       11.78013  -9.475952      34.14741 
1 1 1 1   3   1  o 748.8990 12.36044 123.7667       5.759160  122.6308       5.725263  3.446594       24.74019 
1 1 1 1   3   2  o 852.0612 19.22665 159.8297       7.185808  0.000000       0.000000  ?              ?        
1 1 1 1   3   3  o 628.8138 10.47809 86.26597       4.064482  87.38133       4.110202  -4.030090      20.96830 
1 1 1 1   3   4  o 309.2791 7.573674 21.98432       1.581747  20.26573       1.351354  12.53946       15.28830 
1 1 1 1   3   5  o 565.6442 10.76555 71.24895       3.308223  68.39556       4.527104  12.31219       22.79354 
1 1 1 1   3   6  o 222.7367 7.466723 11.44484       1.055961  10.40375       1.006246  10.64330       14.96805 
1 1 1 1   3   7  o 260.8941 7.431132 13.73866       1.144891  16.43184       1.267231  -23.43089      14.88923 
1 1 1 1   3   8  o 409.0238 7.810458 36.20645       1.972430  37.24348       1.991134  -5.779755      15.64724 
1 1 1 1   3   9  o 326.6404 7.969194 23.45881       1.633250  23.39019       1.596830  0.4560547      15.98384 
1 1 1 1   3   10 o 489.2295 9.078089 51.67838       2.732565  53.54010       2.778019  -8.655243      18.19590 
1 1 1 1   3   11 o 210.6029 15.49622 0.000000       0.000000  9.858520       1.421476  ?              ?        
1 1 1 1   3   12 o 137.0009 18.03391 4.169741       1.434842  4.317454       1.564387  -1.955643      37.11912 
1 1 1 1   3   13 o 431.5618 9.977061 41.66285       2.652943  40.25648       2.689281  7.495514       20.03185 
1 1 1 1   3   14 o 628.2501 11.31191 89.10924       4.493284  84.63250       4.328222  16.13873       22.68059 
1 1 1 1   3   15 o 184.6616 15.26844 6.706374       1.710296  8.465452       1.757411  -22.07532      31.23192 
1 1 1 1   3   16 o 239.4403 19.37805 12.76365       2.017832  0.000000       0.000000  ?              ?        
1 1 1 1   3   17 o 169.6379 18.90071 5.846348       1.948740  7.059582       1.961679  -16.82213      39.08044 
1 1 1 1   3   18 o 130.7510 26.92968 4.642637       2.151807  3.315827       2.073270  20.35138       50.43510 
1 1 1 1   3   19 o 204.2395 18.39176 9.200119       2.337662  9.460149       2.274040  -3.233398      37.73811 
1 1 1 1   3   20 o 238.5143 17.84748 12.27986       2.671650  13.18224       2.574042  -9.249298      36.55043 
1 1 1 1   3   21 o 260.6038 17.27832 15.17249       2.803416  15.36243       2.752105  -1.951019      35.26229 
1 1 1 1   3   22 o 265.4367 17.95860 15.73999       2.952452  16.28088       2.926880  -4.959473      36.89215 
1 1 1 1   3   23 o 108.6342 34.66296 2.416191       2.699290  3.503393       2.573476  -11.80642      57.71199 
1 1 1 1   3   24 o 124.9649 34.08007 2.466136       2.710293  5.854502       2.718128  -40.69378      57.78459 
1 1 1 1   3   25 o 268.6605 20.37135 17.05334       3.294761  16.95986       3.449990  2.809296       42.95577 
1 1 1 1   3   26 o 191.7869 27.67636 12.36473       3.209424  6.408189       3.185691  71.34834       57.85229 
1 1 1 1   4   0  o 1360.069 20.92871 418.0412       17.99561  397.7000       17.33703  33.70789       41.95399 
1 1 1 1   4   1  o 1114.172 17.53026 270.6277       11.99683  275.6953       12.23867  -10.24487      35.11780 
1 1 1 1   4   2  o 2184.451 32.94962 1073.745       45.16948  1043.459       44.14556  30.65430       66.27374 
1 1 1 1   4   3  o 952.0584 15.00798 194.0336       8.694446  204.9068       9.042682  -25.88098      30.05332 
1 1 1 1   4   4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   4   5  o 164.3682 16.60225 0.000000       0.000000  6.002434       1.180587  ?              ?        
1 1 1 1   4   6  o 515.3593 9.494945 57.75769       2.987652  58.88931       3.085555  -4.969543      19.02663 
1 1 1 1   4   7  o 232.7198 9.563152 12.68730       1.459883  11.28636       1.307834  13.61104       19.22040 
1 1 1 1   4   8  o 959.4255 14.85784 196.7662       8.646160  208.7056       9.053212  -28.14081      29.76268 
1 1 1 1   4   9  o 212.6483 10.92472 10.44813       1.411008  9.441487       1.462898  10.96477       22.06988 
1 1 1 1   4   10 o 401.1759 8.877514 36.38701       2.247204  34.40567       2.173133  11.21906       17.80275 
1 1 1 1   4   11 o 175.4184 18.02293 0.000000       0.000000  6.892609       1.367057  ?              ?        
1 1 1 1   4   12 o 225.7018 11.34990 11.86328       1.598614  10.67442       1.569726  12.05405       22.88374 
1 1 1 1   4   13 o 607.8616 10.90624 84.11710       4.190760  78.78395       4.038286  19.86084       21.88019 
1 1 1 1   4   14 o 620.5229 11.14455 82.23869       4.227378  87.25854       4.355061  -18.36847      22.34452 
1 1 1 1   4   15 o 91.46758 26.39931 2.569389       1.651020  1.333754       1.518847  21.38616       44.97425 
1 1 1 1   4   16 o 508.8944 12.45431 55.85821       3.423950  59.20784       4.762372  -13.49765      26.17335 
1 1 1 1   4   17 o 276.1650 12.40202 16.41159       2.195069  17.20007       2.050655  -6.806732      25.06261 
1 1 1 1   4   18 o 474.0972 11.52759 50.47088       3.438267  48.52087       3.344047  9.299652       23.14528 
1 1 1 1   4   19 o 199.7984 17.81451 10.22054       2.235523  7.734500       2.137344  28.80238       36.71621 
1 1 1 1   4   20 o 325.7122 13.04487 23.22296       2.652570  23.76980       2.608646  -3.971222      26.29104 
1 1 1 1   4   21 o 137.3976 25.98856 3.605223       2.155949  5.275528       2.112523  -25.45219      49.98624 
1 1 1 1   4   22 o 267.8928 15.51986 17.20683       2.660009  15.26179       2.484994  15.86072       31.63843 
1 1 1 1   4   23 f 114.5050 33.62597 5.612123       2.604808  1.266354       2.489106  52.89812       55.00091 
1 1 1 1   4   24 o 152.5890 28.73303 6.008617       2.686138  5.702173       2.558404  3.039841       56.59679 
1 1 1 1   4   25 o 63.78107 29.09830 -1.365506      2.721165  0.2677759E-02  2.411545  -4.486534      48.60661 
1 1 1 1   4   26 o 87.23418 34.17599 3.595769       2.857977  0.3183709      2.549529  30.48959       55.26390 
1 1 1 1   5   0  f 214.8172 27.02264 9.699356       3.466589  11.04886       3.578946  -14.45482      55.50148 
1 1 1 1   5   1  o 354.2862 15.14377 23.17309       3.287476  32.29747       3.354508  -59.11584      30.77878 
1 1 1 1   5   2  o 448.4220 17.35966 0.000000       0.000000  44.30415       3.408067  ?              ?        
1 1 1 1   5   3  o 587.0775 11.60246 72.57130       4.134825  79.11052       4.322074  -25.32947      23.25339 
1 1 1 1   5   4  o 58.69837 24.01197 -0.7721622     1.363055  1.379676       1.415985  -28.49686      39.60041 
1 1 1 1   5   5  o 110.6778 21.45410 1.029521       1.512450  4.178457       1.342260  -54.62881      38.68361 
1 1 1 1   5   6  o 312.3075 10.58332 22.80185       1.993855  19.92515       2.105401  21.20782       21.38704 
1 1 1 1   5   7  o 389.4389 9.620024 32.66980       2.259721  34.00491       2.394045  -7.752960      19.30618 
1 1 1 1   5   8  o 573.2131 10.53933 73.34118       3.825247  71.09470       3.674371  8.861267       21.12664 
1 1 1 1   5   9  o 368.9117 9.620231 29.79513       2.265624  30.02569       2.139122  -1.527252      19.31646 
1 1 1 1   5   10 o 381.1920 9.497616 32.61760       2.318436  31.34233       2.179624  7.508881       19.07570 
1 1 1 1   5   11 o 269.1187 11.35024 15.42793       1.993459  16.43932       1.802097  -8.995270      23.04031 
1 1 1 1   5   12 o 92.07471 25.79688 2.938522       1.573031  1.087888       1.494001  31.28684       43.56833 
1 1 1 1   5   13 o 161.2788 16.42599 6.651355       1.628170  4.994050       1.612780  24.16919       34.11899 
1 1 1 1   5   14 o 472.1718 10.32032 47.11519       2.957756  51.08929       3.092333  -19.10397      20.70081 
1 1 1 1   5   15 o 213.7995 14.14576 11.60010       2.021652  9.001897       1.740750  27.32610       28.59963 
1 1 1 1   5   16 f 203.6835 13.98893 9.063919       1.812820  9.287663       1.705591  -2.783432      28.39489 
1 1 1 1   5   17 o 286.9619 11.90007 18.56221       2.198773  17.82432       2.037825  5.638489       23.96344 
1 1 1 1   5   18 o 692.1472 12.76063 102.8389       5.406594  108.3838       5.554020  -18.13934      25.60938 
1 1 1 1   5   19 f 588.9597 12.22356 74.79163       4.412871  78.24237       4.520689  -13.24493      24.54940 
1 1 1 1   5   20 o 457.1133 11.69354 46.48711       3.339629  45.85453       3.287116  3.062866       23.49530 
1 1 1 1   5   21 o 142.3860 24.00439 4.352301       2.057105  5.107082       2.032844  -11.82094      47.84767 
1 1 1 1   5   22 o 67.83362 28.77385 -0.1245368     2.122365  0.6325551      2.083000  -6.253860      47.68710 
1 1 1 1   5   23 o 329.6509 14.02448 23.55152       2.858719  25.27230       2.863891  -12.06766      28.48964 
1 1 1 1   5   24 o 87.46264 31.56213 0.5897662E-01  2.195313  3.516474       2.190233  -38.31889      50.42339 
1 1 1 1   5   25 o 121.2828 31.73141 4.982410       2.516448  2.996825       2.323677  25.39447       55.61008 
1 1 1 1   5   26 o 86.92166 33.38814 3.794703       2.722650  0.3383190      2.372504  34.21898       54.05330 
1 1 1 1   6   0  o 189.8340 32.74879 8.532649       3.769602  7.906664       3.666812  7.138428       64.45438 
1 1 1 1   6   1  o 401.6670 22.04866 0.000000       0.000000  35.66755       3.869731  ?              ?        
1 1 1 1   6   2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   6   3  o 1004.668 23.31065 0.000000       0.000000  222.6454       10.27255  ?              ?        
1 1 1 1   6   4  o 513.3813 16.45683 58.03032       3.701060  0.000000       0.000000  ?              ?        
1 1 1 1   6   5  o 439.4575 17.23611 42.55688       3.315999  0.000000       0.000000  ?              ?        
1 1 1 1   6   6  o 963.4620 22.24762 204.7582       9.401981  0.000000       0.000000  ?              ?        
1 1 1 1   6   7  o 672.1749 18.04675 0.000000       0.000000  99.58184       5.316056  ?              ?        
1 1 1 1   6   8  o 88.90999 27.02842 1.179349       1.487371  2.617419       1.803133  -25.95336      45.85980 
1 1 1 1   6   9  o 241.3878 12.83865 13.61948       1.940220  12.13098       1.891736  14.10611       25.87348 
1 1 1 1   6   10 o 279.9377 11.73918 17.78787       2.124485  16.85526       1.954167  7.371399       23.63882 
1 1 1 1   6   11 o 383.5333 10.74531 31.09205       2.616390  33.64221       2.495754  -15.42859      21.65236 
1 1 1 1   6   12 o 152.1395 19.16495 4.100032       1.839017  6.206350       1.705790  -33.15465      40.36255 
1 1 1 1   6   13 o 156.6006 18.77479 6.614677       1.753124  4.331323       1.824017  34.69586       39.51047 
1 1 1 1   6   14 o 336.6250 10.76949 24.60382       2.256344  25.27891       2.235684  -4.613770      21.61382 
1 1 1 1   6   15 o 503.9390 10.94438 54.08330       3.390061  57.64822       3.453327  -16.11316      21.95438 
1 1 1 1   6   16 o 459.4598 10.80955 46.43428       3.113299  46.42236       3.049406  -0.4913330E-02 21.69679 
1 1 1 1   6   17 o 225.2914 14.03211 10.42104       2.029583  11.94413       1.881415  -16.02498      28.70215 
1 1 1 1   6   18 o 581.0339 11.84452 70.47586       4.170741  78.58781       4.374738  -31.65692      23.77236 
1 1 1 1   6   19 o 665.9810 12.65994 97.36218       5.251219  98.28763       5.209226  -3.245911      25.42727 
1 1 1 1   6   20 o 440.7625 13.41236 41.27714       4.506730  43.89306       3.164903  -17.13092      29.12909 
1 1 1 1   6   21 o 164.6260 19.33765 5.594960       2.001437  6.688230       1.878718  -16.59442      40.60224 
1 1 1 1   6   22 o 314.1335 12.82479 21.12529       2.501049  22.91251       2.486670  -13.20325      25.97202 
1 1 1 1   6   23 o 166.6877 21.35883 6.867431       2.193632  6.167042       2.123698  9.312515       44.80726 
1 1 1 1   6   24 o 169.8835 21.48954 6.309271       2.244514  7.364180       2.184757  -15.64238      45.61771 
1 1 1 1   6   25 o 83.12598 30.99074 1.321605       2.215075  1.863474       2.074774  -4.668266      50.36205 
1 1 1 1   6   26 o 76.23530 33.95103 0.3549185      2.292172  0.000000       0.000000  ?              ?        
1 1 1 1   6   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   7   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   7   1  o 109.7026 39.81251 2.850356       3.334317  1.473800       3.682129  8.839577       65.80325 
1 1 1 1   7   2  o 92.82101 36.93782 4.581751       3.126057  -2.857665      3.253420  62.07249       58.60656 
1 1 1 1   7   3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   7   4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   7   5  o 87.14073 31.96960 3.073550       2.837488  0.5502106      1.937419  40.74467       54.54596 
1 1 1 1   7   6  o 574.0105 25.32133 73.00611       6.359715  0.000000       0.000000  ?              ?        
1 1 1 1   7   7  o 206.2959 16.68308 9.844570       2.146732  9.042530       2.087949  8.913391       33.91005 
1 1 1 1   7   8  o 864.5261 14.94833 161.9273       7.845093  167.4531       8.199741  -14.29218      29.96754 
1 1 1 1   7   9  o 260.8040 21.13049 0.000000       0.000000  15.16615       2.396584  ?              ?        
1 1 1 1   7   10 o 369.8590 12.22245 27.13867       2.661829  33.93793       2.963045  -41.47681      24.55190 
1 1 1 1   7   11 o 286.2487 12.90586 17.81981       2.341070  18.40746       2.234174  -4.960907      26.05331 
1 1 1 1   7   12 o 374.4459 11.48695 29.68882       2.699321  32.15455       2.631942  -15.22839      23.13015 
1 1 1 1   7   13 o 217.5439 15.57971 13.05579       2.199298  8.428460       1.992947  48.57640       31.94817 
1 1 1 1   7   14 o 217.8377 14.96945 11.68956       2.154330  9.600392       1.892120  21.50568       30.31592 
1 1 1 1   7   15 o 286.2479 12.74666 19.81653       2.334889  16.53278       2.187675  26.07724       25.64178 
1 1 1 1   7   16 o 110.6376 27.75014 2.735273       1.931717  2.941656       1.871628  -2.898125      49.36705 
1 1 1 1   7   17 o 462.3807 11.28843 46.93840       3.274712  47.20825       3.202105  -1.431427      22.67769 
1 1 1 1   7   18 o 400.2072 12.04014 34.09286       2.985765  36.52747       2.985531  -13.93362      24.18723 
1 1 1 1   7   19 o 350.5788 13.36531 29.71550       3.053910  25.07807       2.769406  29.71622       26.89286 
1 1 1 1   7   20 o 213.9979 16.24104 10.61547       2.243441  9.919447       2.049412  6.798935       33.16892 
1 1 1 1   7   21 o 142.3796 23.24097 3.471992       2.071942  5.778796       1.902697  -36.42710      46.45953 
1 1 1 1   7   22 o 244.5173 14.81200 11.17070       2.255444  15.63824       2.217314  -43.01926      30.84299 
1 1 1 1   7   23 o 216.0582 16.65215 10.89787       2.298936  10.42033       2.138917  3.916992       34.40594 
1 1 1 1   7   24 o 169.9784 21.11036 5.643903       2.248541  7.923516       2.113854  -33.88301      45.36132 
1 1 1 1   7   25 o 211.5243 17.98229 9.313057       2.382996  11.56022       2.293876  -26.88834      38.49742 
1 1 1 1   7   26 o 60.92255 27.01429 -0.3089512     2.075272  0.2959981      1.987578  -3.511238      44.51168 
1 1 1 1   7   27 o 106.2692 31.14441 4.242501       2.269516  2.306604       2.109459  24.08015       52.56268 
1 1 1 1   8   0  o 211.3488 36.54721 10.00253       4.410879  10.56619       4.857740  -5.276627      72.21904 
1 1 1 1   8   1  o 760.6613 23.59152 0.000000       0.000000  127.9793       7.861821  ?              ?        
1 1 1 1   8   2  o 262.3172 23.06481 14.76360       3.592180  15.94035       3.851227  -9.908447      47.10881 
1 1 1 1   8   3  o 336.0362 17.43968 24.53857       3.642257  25.31261       3.603780  -5.348206      35.14059 
1 1 1 1   8   4  o 256.1704 17.81013 16.86986       2.947647  12.56036       2.694462  38.35878       36.13606 
1 1 1 1   8   5  f 129.7469 31.92764 0.6932502      2.768962  6.253232       2.379030  -67.27579      52.63792 
1 1 1 1   8   6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   8   7  f 123.5326 33.82840 3.672440       2.532608  3.339122       2.827485  2.398552       58.85019 
1 1 1 1   8   8  o 470.2859 12.95281 49.60450       3.676189  47.73215       3.882447  9.344086       26.06145 
1 1 1 1   8   9  o 340.5146 14.06104 23.00706       2.721663  29.41821       3.284427  -41.85880      28.35018 
1 1 1 1   8   10 o 212.8919 18.89436 10.18035       2.254540  10.09827       2.760122  2.872467       39.72275 
1 1 1 1   8   11 o 370.3649 13.13181 33.27870       3.055538  27.57876       2.970642  35.14206       26.48724 
1 1 1 1   8   12 o 106.0901 29.41770 3.830805       2.088574  1.621865       1.927849  33.15504       50.12304 
1 1 1 1   8   13 o 583.2646 12.62564 77.92886       4.650967  72.23096       4.489506  22.12360       25.35627 
1 1 1 1   8   14 o 370.9370 18.55245 30.49089       3.008998  0.000000       0.000000  ?              ?        
1 1 1 1   8   15 o 245.0034 15.71841 14.94311       2.601773  12.10847       2.200821  25.73024       31.83855 
1 1 1 1   8   16 f 84.73711 31.17957 0.4131580      2.266544  2.041126       2.058248  -15.72700      51.16093 
1 1 1 1   8   17 o 808.3064 14.26955 148.1640       7.336282  140.7030       6.986312  20.56641       28.67472 
1 1 1 1   8   18 o 129.4109 28.63918 3.292631       2.341707  4.423403       2.147239  -16.12665      52.65200 
1 1 1 1   8   19 o 541.9557 12.71930 65.20335       4.336073  64.45889       4.218465  2.941956       25.57538 
1 1 1 1   8   20 o 418.7753 18.99011 0.000000       0.000000  39.28761       3.479191  ?              ?        
1 1 1 1   8   21 o 174.2391 20.18499 7.039661       2.260694  6.868006       2.039136  0.7795868      42.24884 
1 1 1 1   8   22 o 306.3576 13.44132 21.01923       2.624901  20.98912       2.477798  -0.5073242     27.28589 
1 1 1 1   8   23 o 291.2092 14.63560 17.52292       2.622344  20.82257       2.648541  -26.21704      29.94530 
1 1 1 1   8   24 o 81.94622 30.68958 3.083618       2.214651  0.1861807      2.009942  33.51367       49.75432 
1 1 1 1   8   25 o 84.79852 31.21649 1.189256       2.172146  2.339435       2.148836  -12.13364      50.57344 
1 1 1 1   8   26 o 109.7852 30.80798 3.693500       2.334418  3.098083       2.057914  6.716812       53.21886 
1 1 1 1   8   27 f 108.2913 30.95464 3.411770       2.299167  3.307357       2.083613  0.3463058      52.98529 
1 1 1 1   9   0  o 552.3795 26.53338 0.000000       0.000000  68.04419       6.410023  ?              ?        
1 1 1 1   9   1  o 243.5674 29.73263 14.73722       4.226377  11.83520       4.595338  29.28726       62.29231 
1 1 1 1   9   2  o 421.1600 26.32365 0.000000       0.000000  39.51143       4.838574  ?              ?        
1 1 1 1   9   3  o 173.5613 31.77715 6.240341       3.305336  7.589050       3.285169  -16.55566      61.64497 
1 1 1 1   9   4  o 401.7267 22.01652 0.000000       0.000000  35.79040       3.864712  ?              ?        
1 1 1 1   9   5  o 186.6489 25.72654 5.982634       3.045910  9.436039       2.772416  -43.42918      53.43517 
1 1 1 1   9   6  o 256.4851 20.07285 8.584768       3.498840  18.82996       2.916524  -99.74071      48.66307 
1 1 1 1   9   7  o 184.5136 43.04385 8.076557       3.419597  0.000000       0.000000  ?              ?        
1 1 1 1   9   8  o 355.9391 14.76505 26.95204       3.249026  29.06876       3.256970  -13.64938      29.73879 
1 1 1 1   9   9  o 222.6628 18.94418 10.11474       2.440129  12.34643       2.775777  -22.15198      38.75941 
1 1 1 1   9   10 o 146.9494 30.28802 4.319309       2.325461  6.559631       3.230525  -29.16046      58.09591 
1 1 1 1   9   11 o 148.1815 46.29510 0.000000       0.000000  5.342730       3.338623  ?              ?        
1 1 1 1   9   12 o 273.5381 16.89786 16.00031       2.732093  17.44218       2.992113  -11.42117      34.28855 
1 1 1 1   9   13 o 429.4511 15.91931 47.08853       3.677904  28.43522       5.152728  107.8426       38.30208 
1 1 1 1   9   14 o 532.7527 12.76541 60.64234       4.256291  64.25384       4.182054  -15.59766      25.65958 
1 1 1 1   9   15 o 95.83897 32.40446 1.604938       2.438946  2.195731       2.163637  -3.986847      53.96663 
1 1 1 1   9   16 o 226.9070 18.09282 11.42811       2.653150  11.50336       2.414802  -1.486893      37.06665 
1 1 1 1   9   17 o 287.3859 15.37199 18.96057       2.879325  17.78172       2.602451  8.795441       31.11803 
1 1 1 1   9   18 o 174.8617 23.38662 5.556266       2.576319  8.120387       2.381563  -34.93193      48.77103 
1 1 1 1   9   19 o 335.2900 14.71591 25.55766       3.119045  24.34303       2.991486  8.024017       29.67789 
1 1 1 1   9   20 o 282.5086 20.02577 0.000000       0.000000  17.99196       2.465460  ?              ?        
1 1 1 1   9   21 o 270.3907 23.63278 16.86137       2.774758  0.000000       0.000000  ?              ?        
1 1 1 1   9   22 o 159.7492 24.92888 6.746604       2.473642  5.506086       2.313780  16.33185       50.97075 
1 1 1 1   9   23 o 72.57428 30.18135 0.6380276      2.354060  0.6158689      2.146068  2.816811       49.60151 
1 1 1 1   9   24 f 82.21046 31.13093 3.835306       2.322108  -0.3281627     2.059711  46.46876       50.01868 
1 1 1 1   9   25 o 179.8065 21.97721 7.377887       2.475379  8.354157       2.331845  -15.74864      47.68721 
1 1 1 1   9   26 o 150.9870 29.83455 6.419231       2.444735  5.874444       3.042722  15.78001       58.50072 
1 1 1 1   9   27 o 91.21643 32.16389 3.485272       2.339787  1.458265       2.195563  21.54878       51.87873 
1 1 1 1   10  0  o 242.3697 41.97173 8.555211       4.890816  32.14329       9.029952  -174.1051      81.16512 
1 1 1 1   10  1  o 126.5610 44.62421 1.416655       4.117712  5.814762       4.646772  -41.40142      73.56029 
1 1 1 1   10  2  o 345.8538 21.70757 25.61248       4.560595  27.75989       4.710357  -14.02185      44.03090 
1 1 1 1   10  3  o 259.9914 22.43594 16.82618       3.660096  13.53713       3.510687  29.17545       46.06412 
1 1 1 1   10  4  o 343.0806 25.16078 0.000000       0.000000  26.34485       3.760025  ?              ?        
1 1 1 1   10  5  o 341.7963 17.56077 27.76458       3.872004  24.29842       3.568210  22.72473       35.44278 
1 1 1 1   10  6  o 375.5623 23.66356 0.000000       0.000000  31.54370       3.878377  ?              ?        
1 1 1 1   10  7  o 201.5250 26.45317 5.964027       4.029679  10.79974       2.768632  -58.19006      59.12378 
1 1 1 1   10  8  o 84.58385 33.49110 1.513410       2.842422  0.5758864      2.423681  14.60835       55.73151 
1 1 1 1   10  9  o 137.2731 30.87925 2.888073       2.462304  6.322198       2.683108  -46.70299      55.39711 
1 1 1 1   10  10 o 216.6498 21.91960 9.684142       2.677323  11.96740       3.203708  -22.13649      45.49232 
1 1 1 1   10  11 o 430.7502 14.71696 42.85368       3.692542  38.87852       4.211782  22.52435       30.15360 
1 1 1 1   10  12 o 355.1737 21.40248 28.18837       3.318840  0.000000       0.000000  ?              ?        
1 1 1 1   10  13 o 201.8686 31.25497 9.359083       2.678144  0.000000       0.000000  ?              ?        
1 1 1 1   10  14 o 706.5790 14.43266 108.4343       6.296398  111.6412       6.355853  -10.31525      28.97861 
1 1 1 1   10  15 o 248.8684 18.31062 11.43995       2.801823  16.12343       2.812144  -43.90466      37.89680 
1 1 1 1   10  16 o 374.5204 14.29646 27.42928       3.371010  34.35997       3.262253  -42.84213      29.09294 
1 1 1 1   10  17 f 233.2849 19.30955 10.91834       2.908009  13.21514       2.648727  -24.14059      40.39126 
1 1 1 1   10  18 o 249.5146 19.53873 10.64339       3.094965  16.81357       2.913426  -59.31354      42.09766 
1 1 1 1   10  19 o 262.4922 18.70174 13.61168       3.057221  17.17139       2.994254  -31.97028      38.58833 
1 1 1 1   10  20 o 226.4898 18.78469 10.35118       2.814207  12.50094       2.453633  -24.47723      39.97284 
1 1 1 1   10  21 o 176.8571 23.12514 8.788206       2.701468  6.187038       2.299437  31.26251       48.13601 
1 1 1 1   10  22 o 113.3099 32.82481 2.852725       2.775541  3.534801       2.202317  -6.965195      56.25642 
1 1 1 1   10  23 o 351.9501 14.90587 25.15846       3.370119  30.61323       3.136294  -38.05878      30.94255 
1 1 1 1   10  24 o 222.4328 18.27344 11.06814       2.779508  11.90986       2.289469  -15.49107      39.91887 
1 1 1 1   10  25 o 121.9514 30.90079 4.319510       2.648356  3.948462       2.119233  1.350952       55.47450 
1 1 1 1   10  26 o 130.0785 29.36998 4.605502       2.543369  4.706169       2.136608  -6.034477      54.77691 
1 1 1 1   10  27 o 225.4663 19.07488 11.04301       2.807686  13.51340       2.503974  -34.03285      43.05731 
1 1 1 1   11  0  o 129.3924 53.01457 3.669115       6.274970  0.1197864      7.438436  9.963028       86.92498 
1 1 1 1   11  1  o 158.6697 53.10438 11.99794       5.815618  -1.640336      6.545076  90.76064       82.01591 
1 1 1 1   11  2  o 107.8719 46.04218 -0.7536925     5.096653  2.090123       5.867177  -23.34637      77.06046 
1 1 1 1   11  3  o 291.0141 22.33421 20.01588       4.126410  18.11092       3.886379  14.44162       45.65305 
1 1 1 1   11  4  o 152.5813 36.58072 5.445837       3.531554  5.634064       3.313655  -1.834671      66.09702 
1 1 1 1   11  5  o 322.5651 20.07690 21.83598       4.108753  24.49852       3.894539  -19.86060      41.07058 
1 1 1 1   11  6  o 202.9064 31.82676 9.381498       4.615191  9.690005       3.404125  -7.870697      66.34930 
1 1 1 1   11  7  o 191.1363 31.23003 4.987619       3.907683  11.06893       3.315088  -69.91614      62.00226 
1 1 1 1   11  8  o 91.80009 35.44205 0.6007596      3.059272  1.996928       2.696308  -8.504936      58.26781 
1 1 1 1   11  9  o 254.4846 20.95513 15.93503       3.445108  13.46867       3.134351  21.32764       43.00055 
1 1 1 1   11  10 o 100.3455 35.61060 1.960456       2.748568  2.228103       2.810812  -3.434334      58.87632 
1 1 1 1   11  11 o 300.8107 18.79938 18.80558       3.273269  21.98269       3.757423  -22.94833      38.21098 
1 1 1 1   11  12 o 629.4247 33.14826 89.82642       9.119521  0.000000       0.000000  ?              ?        
1 1 1 1   11  13 o 487.5277 20.31189 52.73841       4.334095  0.000000       0.000000  ?              ?        
1 1 1 1   11  14 o 283.7333 19.57504 16.31829       3.189856  20.06240       3.719164  -29.13922      39.76606 
1 1 1 1   11  15 o 568.5408 14.40947 67.62785       4.915340  75.63632       5.257515  -31.70270      28.94142 
1 1 1 1   11  16 o 237.1056 20.62796 8.941598       2.961635  16.48890       3.047868  -75.02686      44.45258 
1 1 1 1   11  17 o 210.8514 24.11620 12.37778       3.246131  8.149444       2.967780  45.98206       50.17987 
1 1 1 1   11  18 o 51.99920 25.55057 -7.673140      3.199111  -1.604781      2.606415  -14.60183      46.14405 
1 1 1 1   11  19 o 153.8758 31.51796 5.853165       3.176307  5.474474       2.696601  4.195236       60.06834 
1 1 1 1   11  20 o 202.1806 23.33594 7.579669       2.970480  11.02374       2.784664  -42.10696      50.03590 
1 1 1 1   11  21 f 297.0867 16.94818 17.32278       3.132353  22.49024       3.088915  -40.98108      35.06219 
1 1 1 1   11  22 o 152.3301 28.21976 3.621674       2.765475  7.356879       2.408239  -52.18684      53.94578 
1 1 1 1   11  23 o 94.21143 34.07675 1.512134       2.788166  2.655093       2.376707  -8.782928      55.38505 
1 1 1 1   11  24 o 184.6721 23.45593 9.209662       3.010969  7.849828       2.359514  6.837021       51.39151 
1 1 1 1   11  25 o 125.0753 31.59086 0.5390154      2.737172  6.967978       2.239629  -76.06712      49.53489 
1 1 1 1   11  26 o 103.6126 33.35074 2.997028       2.775955  3.394421       2.194428  -5.595901      54.86130 
1 1 1 1   11  27 o 74.89178 31.29957 0.5143553      2.815404  1.720782       2.168581  -5.012421      49.68170 
1 1 1 1   12  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   12  1  o 395.7985 39.94715 35.40042       9.398009  38.24908       9.975465  -13.89139      84.57160 
1 1 1 1   12  2  o 176.9962 61.39956 4.439672       8.188838  11.03524       8.273208  -39.63301      100.2681 
1 1 1 1   12  3  o 211.7216 35.01933 12.51534       4.551536  8.797702       4.333726  38.07269       69.99934 
1 1 1 1   12  4  o 76.31552 35.85183 1.380453       4.493740  -6.467290      4.171010  41.51176       63.32852 
1 1 1 1   12  5  o 117.0148 44.62249 -0.4915355     4.662334  5.202559       4.347313  -39.35270      72.06671 
1 1 1 1   12  6  o 110.3742 45.98939 -7.079553      7.978762  3.459704       4.165517  -14.78872      75.89341 
1 1 1 1   12  7  o 232.6453 30.54282 6.762157       4.843422  16.32879       3.908306  -98.46202      65.87280 
1 1 1 1   12  8  o 103.9206 40.87331 3.189446       5.269313  1.162527       3.192425  34.43623       70.66824 
1 1 1 1   12  9  o 314.7290 20.04313 20.70494       4.028459  23.46645       3.769888  -21.37125      41.18084 
1 1 1 1   12  10 o 197.8936 27.49014 9.251405       3.224448  8.669760       3.346179  7.368851       56.59699 
1 1 1 1   12  11 o 103.1182 37.16298 3.014277       2.951416  1.042754       3.134554  17.47249       61.07663 
1 1 1 1   12  12 o 138.6540 49.59233 0.000000       0.000000  3.978723       3.818436  ?              ?        
1 1 1 1   12  13 o 843.5837 19.85361 184.2049       9.499290  117.9898       11.58768  189.1124       43.81932 
1 1 1 1   12  14 o 140.8866 35.74193 6.962274       2.851469  1.220780       3.504733  61.08307       59.64445 
1 1 1 1   12  15 f 545.1277 16.11193 63.53087       5.096904  68.79135       5.869092  -20.60181      32.58931 
1 1 1 1   12  16 o 79.62441 33.64127 2.400965       2.695068  -2.488252      3.047043  33.38919       55.13014 
1 1 1 1   12  17 o 334.4578 18.68014 25.50848       3.828802  24.31173       3.892364  8.459503       37.86819 
1 1 1 1   12  18 o 173.3682 46.14457 7.451106       3.570720  0.000000       0.000000  ?              ?        
1 1 1 1   12  19 o 130.5676 37.11602 4.749886       3.192604  3.605402       3.104758  13.34448       63.79345 
1 1 1 1   12  20 o 74.90510 32.36188 -0.6292526     2.979524  0.6047952      2.566879  -3.525978      53.84127 
1 1 1 1   12  21 o 169.3407 29.56020 3.758090       3.090955  9.872623       2.902455  -76.29620      56.38239 
1 1 1 1   12  22 o 82.28003 33.03248 1.376813       2.721977  1.108866       2.444724  4.969734       53.86398 
1 1 1 1   12  23 o 94.47381 34.26661 2.155168       2.801397  2.291959       2.418348  0.7676392      55.85522 
1 1 1 1   12  24 o 108.4502 34.25969 5.406850       2.918374  2.014001       2.335360  37.01391       57.23562 
1 1 1 1   12  25 o 81.99466 33.02502 4.005020       2.915868  0.7821821E-01  2.338594  35.44795       53.81868 
1 1 1 1   12  26 o 115.5032 34.10905 1.089868       2.938499  6.159119       2.375439  -54.68307      53.33276 
1 1 1 1   12  27 o 85.26299 35.32952 2.133407       2.828354  2.296026       3.353391  -2.004997      55.09877 
1 1 1 1   13  0  o 399.2294 35.23530 36.09910       8.039625  36.23761       9.389849  3.779297       73.86292 
1 1 1 1   13  1  o 115.7427 46.98104 -0.4139913     5.107781  3.762921       5.442122  -29.92844      77.71479 
1 1 1 1   13  2  o 157.1594 42.66753 6.197172       4.255530  5.619038       4.275810  5.749222       74.33659 
1 1 1 1   13  3  o 375.0963 22.93400 27.93492       5.196448  35.45778       5.432997  -45.83627      46.81921 
1 1 1 1   13  4  o 196.9572 57.30278 6.111941       8.035439  12.61468       6.928697  -43.88075      96.27377 
1 1 1 1   13  5  o 170.3368 58.64362 5.778962       8.360486  7.832037       6.864395  -6.981918      96.73879 
1 1 1 1   13  6  o 112.9306 50.17278 1.837930       7.343499  -3.053941      6.764719  26.25796       84.34174 
1 1 1 1   13  7  o 251.7256 40.55405 0.000000       0.000000  15.05640       4.325672  ?              ?        
1 1 1 1   13  8  o 370.4656 37.27129 0.000000       0.000000  31.81731       5.974306  ?              ?        
1 1 1 1   13  9  o 199.2146 45.49382 9.725925       6.870690  9.523998       4.715312  2.116287       85.46510 
1 1 1 1   13  10 f 103.4392 44.14901 -4.575962      5.467386  3.738506       4.639699  -38.51071      72.48451 
1 1 1 1   13  11 o 165.9499 43.75601 2.309202       4.517107  11.00073       4.620113  -83.27693      72.36587 
1 1 1 1   13  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   13  13 o 300.0167 21.15836 22.42143       3.709447  17.13790       4.152913  42.68475       44.67699 
1 1 1 1   13  14 f 236.2440 30.08827 11.24794       4.523269  14.05100       4.123313  -29.77176      63.26309 
1 1 1 1   13  15 o 351.1929 19.90867 24.50888       3.891664  32.41370       4.928456  -48.27383      40.56962 
1 1 1 1   13  16 o 361.8326 19.79591 28.69792       4.123622  29.96294       4.807217  -5.998505      40.52053 
1 1 1 1   13  17 o 229.5855 25.86720 12.67362       3.451377  11.17449       3.815734  17.34044       54.51908 
1 1 1 1   13  18 o 129.6181 39.34609 2.181968       3.274329  6.330592       3.634473  -45.33325      65.65765 
1 1 1 1   13  19 o 97.48384 37.55979 2.094866       3.123542  1.344501       3.299777  4.751564       61.57095 
1 1 1 1   13  20 o 189.7298 29.79298 6.493136       3.397178  10.85568       3.384904  -51.84882      60.46351 
1 1 1 1   13  21 o 87.40649 36.05064 0.3318709      3.178986  1.911610       3.148622  -11.60355      58.77905 
1 1 1 1   13  22 o 152.4652 33.10168 6.288099       3.132547  6.051635       2.956525  1.394348       62.44003 
1 1 1 1   13  23 o 161.2125 31.26455 7.383559       3.159152  6.398083       2.886664  9.167130       61.53041 
1 1 1 1   13  24 o 94.63516 34.59406 2.088233       2.855171  2.812222       2.476718  -5.610718      55.58916 
1 1 1 1   13  25 o 132.5339 32.35162 5.618705       2.883108  4.703990       2.443341  6.320000       58.75878 
1 1 1 1   13  26 o 58.29017 27.40248 1.114771       2.865118  -1.935409      2.295102  21.17200       46.41107 
1 1 1 1   13  27 f 72.23006 31.35981 2.293156       2.956407  0.3525851      2.359853  15.08466       50.20657 
1 1 1 1   14  0  o 427.6667 35.22351 41.29136       8.788192  41.31316       9.821039  2.878326       72.95049 
1 1 1 1   14  1  o 224.9301 39.93553 7.448408       5.137068  16.92485       5.633299  -88.25412      76.15693 
1 1 1 1   14  2  o 213.0539 37.76530 8.741996       4.786795  12.35870       4.830336  -36.49989      73.80787 
1 1 1 1   14  3  o 80.20496 37.51662 1.954678       4.702341  -7.796999      4.595713  47.83333       66.08163 
1 1 1 1   14  4  o 114.5522 45.20544 1.786798       5.192448  1.951302       4.384038  6.806641       74.95320 
1 1 1 1   14  5  o 159.2012 45.03465 4.173645       5.082725  7.352422       4.304849  -26.14392      76.90149 
1 1 1 1   14  6  o 134.9979 46.77864 9.590180       6.665490  1.971139       3.918144  77.65499       81.71388 
1 1 1 1   14  7  o 166.4822 43.65561 2.785646       5.449483  8.684867       4.003762  -48.14937      74.60322 
1 1 1 1   14  8  f 118.2923 49.97025 6.021474       6.872642  -3.051165      5.845837  59.19548       83.94420 
1 1 1 1   14  9  o 273.9637 39.71796 16.40022       6.707156  18.34571       6.409507  -17.56204      81.76952 
1 1 1 1   14  10 o 115.3837 46.02187 5.015230       4.829431  -1.850886      5.101217  43.48271       74.87420 
1 1 1 1   14  11 f 107.8119 44.72603 3.332564       4.614146  -2.213616      5.267292  27.53043       73.51135 
1 1 1 1   14  12 f 120.4152 51.39828 0.000000       0.000000  0.5484989      4.795324  ?              ?        
1 1 1 1   14  13 o 298.5646 31.27083 21.44732       5.663765  19.25004       5.748631  17.94763       65.33146 
1 1 1 1   14  14 o 95.68237 41.41502 -0.7921711     4.316811  0.8885609      4.756874  -14.95843      69.44511 
1 1 1 1   14  15 o 96.53186 41.90412 0.2385620      4.739328  -0.3557248     4.576231  5.231201       70.01221 
1 1 1 1   14  16 o 145.0428 49.63488 4.484558       5.771029  5.127308       5.046486  -0.9003601     82.24861 
1 1 1 1   14  17 o 458.5569 27.19251 54.73745       8.588479  43.19909       7.040636  51.24445       55.94735 
1 1 1 1   14  18 o 228.2270 33.93561 10.81365       5.044387  13.63025       4.349346  -32.96480      70.93481 
1 1 1 1   14  19 o 105.9383 42.12505 3.719750       4.732820  0.9672157      3.729871  27.12802       69.77009 
1 1 1 1   14  20 o 87.60480 36.74204 1.560845       3.247288  0.1249650      3.498728  7.630280       60.09717 
1 1 1 1   14  21 f 155.3433 37.52764 5.130249       3.445676  8.120479       3.720970  -31.31230      67.58263 
1 1 1 1   14  22 o 122.6810 39.27290 2.962991       3.395956  5.742676       3.362783  -26.35990      64.36846 
1 1 1 1   14  23 o 96.75583 37.39365 1.634359       3.200499  3.360605       3.173203  -13.39806      59.64237 
1 1 1 1   14  24 o 100.6727 37.51092 2.981119       3.171499  3.267595       3.102626  -2.255371      59.49841 
1 1 1 1   14  25 o 67.29260 30.76732 0.4768496      2.850290  -0.5936638     2.898007  5.322281       49.89221 
1 1 1 1   14  26 o 90.30936 35.10789 2.109912       2.946496  3.178557       2.711319  -8.061432      54.72570 
1 1 1 1   14  27 o 69.14678 34.51461 0.000000       0.000000  -3.230182      4.268224  ?              ?        
1 1 1 1   15  0  o 119.9088 53.86600 -4.516441      7.576987  1.752578       9.425203  -40.75989      92.85124 
1 1 1 1   15  1  o 121.6911 47.84892 -2.721496      5.213219  7.330973       5.371367  -69.59310      77.09567 
1 1 1 1   15  2  o 398.8080 24.53132 38.55973       6.143536  32.53322       5.940398  34.56342       49.83372 
1 1 1 1   15  3  o 150.3008 47.85834 1.062524       4.987794  9.349101       5.059892  -70.23155      77.19928 
1 1 1 1   15  4  o 317.8984 27.46500 27.34277       5.871772  19.34139       4.967052  55.82666       56.32577 
1 1 1 1   15  5  o 229.0499 34.31265 9.082073       5.175977  14.15353       4.375127  -51.95172      70.81977 
1 1 1 1   15  6  o 125.4319 45.61744 2.966662       6.141135  3.107244       3.825748  18.65080       77.91694 
1 1 1 1   15  7  o 138.8806 45.75503 1.599617       5.608696  5.643974       3.951732  -20.75916      75.94090 
1 1 1 1   15  8  o 189.5243 44.90010 6.588286       7.340673  9.229607       4.245232  -15.46837      84.08707 
1 1 1 1   15  9  o 316.5621 27.08215 18.66747       5.635078  25.53993       4.962890  -54.07196      58.55172 
1 1 1 1   15  10 o 304.4711 26.54604 19.03193       5.325807  22.27145       4.666591  -27.51620      56.12818 
1 1 1 1   15  11 o 376.3628 20.36712 30.11524       4.562457  33.20455       4.933938  -18.02866      41.24205 
1 1 1 1   15  12 o 241.5334 29.24835 7.008565       4.224225  20.10077       4.365373  -125.4259      62.25766 
1 1 1 1   15  13 o 169.4353 58.83349 6.896104       5.344285  0.000000       0.000000  ?              ?        
1 1 1 1   15  14 o 258.2278 38.08643 19.75374       5.628122  10.84736       6.257602  81.39265       78.69306 
1 1 1 1   15  15 o 135.3469 50.77394 1.645514       5.357860  6.529708       6.285436  -38.89272      83.71578 
1 1 1 1   15  16 o 67.90324 33.98988 -11.32925      5.476152  -10.87927      6.832612  -15.60478      62.82067 
1 1 1 1   15  17 o 177.2818 52.34588 5.631431       5.017920  16.06376       8.734664  -76.71333      94.09437 
1 1 1 1   15  18 o 378.2727 27.27469 32.23566       4.864054  39.05531       11.76630  22.99432       84.61305 
1 1 1 1   15  19 o 101.5157 40.66772 1.532688       3.380387  2.551925       4.732206  -17.19707      67.51501 
1 1 1 1   15  20 o 103.9359 40.84316 5.400494       3.507507  -2.239529      4.325167  47.23006       63.78473 
1 1 1 1   15  21 o 99.98049 41.53291 1.688732       4.513366  2.584973       4.011987  -2.865021      66.24302 
1 1 1 1   15  22 o 111.9458 44.39380 3.938061       4.885785  3.509778       4.341054  3.449043       69.99958 
1 1 1 1   15  23 o 85.50368 38.50091 0.9373827      4.740976  0.8613808      3.954836  4.056587       61.35340 
1 1 1 1   15  24 o 70.44829 33.75042 -2.047385      4.718727  -0.8036835     3.847106  1.183800       54.73598 
1 1 1 1   15  25 o 100.3042 41.14851 2.030014       4.400781  5.100205       3.841771  -16.39687      62.47030 
1 1 1 1   15  26 o 80.12540 36.34215 2.690931       4.138456  0.8026137      3.714472  8.449692       56.06009 
1 1 1 1   16  0  o 117.7211 51.79827 0.9488218      7.220518  -2.365898      7.437975  12.74876       86.71515 
1 1 1 1   16  1  o 214.0705 46.16828 12.29386       6.143711  9.838440       5.774130  21.91725       86.10408 
1 1 1 1   16  2  o 240.0276 39.34335 9.449059       5.603067  17.58473       5.708854  -74.26122      77.79445 
1 1 1 1   16  3  o 455.2208 24.73758 48.03995       7.071301  44.62553       6.852309  16.82776       50.15474 
1 1 1 1   16  4  o 271.1391 31.84712 20.87493       5.684096  13.65349       4.909524  59.48662       66.05558 
1 1 1 1   16  5  o 113.7432 44.50051 5.088377       5.585071  0.3849939      3.944541  49.80093       75.67733 
1 1 1 1   16  6  o 122.4836 46.74553 4.949381       6.664652  1.699733       4.098369  43.95422       80.88214 
1 1 1 1   16  7  o 108.3033 45.00331 -4.461462      6.413242  3.246195       4.214491  -19.87427      73.98912 
1 1 1 1   16  8  o 145.7485 47.11305 2.112004       5.815773  6.371966       4.253103  -24.39946      78.11578 
1 1 1 1   16  9  o 97.08312 41.89592 0.9902055      5.148267  -0.7241752     4.195010  21.08194       70.91571 
1 1 1 1   16  10 o 322.0593 36.62550 0.000000       0.000000  24.02830       5.082127  ?              ?        
1 1 1 1   16  11 o 266.7489 30.87022 16.07503       5.294165  16.57416       4.773935  -7.138245      64.97659 
1 1 1 1   16  12 o 183.0622 36.06593 9.603760       3.869849  6.195064       4.034933  38.08783       68.42393 
1 1 1 1   16  13 o 85.94201 37.78720 -0.1730155     3.810171  -0.7077696     3.980491  1.134987       63.48005 
1 1 1 1   16  14 o 412.3127 21.19803 37.46205       5.350127  38.67567       5.458579  -6.469299      43.01151 
1 1 1 1   16  15 o 57.51499 28.57854 -6.093826      3.861259  -7.037707      4.041369  0.4214172      51.94998 
1 1 1 1   16  16 o 102.3241 42.97897 0.7770550      5.370873  1.029526       4.110466  10.38561       71.61734 
1 1 1 1   16  17 o 232.1871 30.78992 12.63443       4.215898  12.94873       4.444077  -1.365082      64.84328 
1 1 1 1   16  18 f 212.9222 34.65128 9.017556       4.119981  14.16301       4.795572  -47.91008      70.53886 
1 1 1 1   16  19 o 188.7785 41.97474 9.708930       5.189617  9.581853       4.467488  -4.084900      78.72601 
1 1 1 1   16  20 o 99.51227 44.70223 -0.7647529     4.416132  9.202299       10.43149  -52.32648      81.15067 
1 1 1 1   16  21 o 104.8102 46.30231 5.021040       4.757270  -6.208918      8.744943  21.67143       71.57028 
1 1 1 1   16  22 o 132.4120 52.14225 7.636195       5.203974  5.156589       8.570817  14.89200       78.97882 
1 1 1 1   16  23 o 79.68171 38.45815 -3.522855      4.552485  6.234180       8.777445  -33.21219      65.97740 
1 1 1 1   16  24 o 73.42868 36.06415 -2.242169      4.518126  -2.823606      8.717994  -12.07014      58.78592 
1 1 1 1   16  25 o 85.50997 40.66895 1.759984       4.997338  2.745426       7.547985  -3.996941      61.30988 
1 1 1 1   16  26 o 87.61646 40.78727 6.516034       5.012709  -0.8631027     5.863401  19.02573       60.21892 
1 1 1 1   17  0  o 525.6966 32.47670 67.28378       11.00747  58.51533       10.12560  36.01004       66.42768 
1 1 1 1   17  1  o 214.9501 54.92169 2.141977       7.869845  18.55508       6.919898  -116.7415      89.02534 
1 1 1 1   17  2  o 285.8901 35.76400 21.02077       6.383568  16.96508       6.039038  32.02908       74.61533 
1 1 1 1   17  3  o 286.8998 35.77163 25.98729       6.666594  13.65083       5.866543  96.80476       74.65820 
1 1 1 1   17  4  o 226.7320 40.43666 4.104243       5.948859  18.10466       5.104801  -123.4002      74.36655 
1 1 1 1   17  5  o 96.24619 42.41137 -4.501269      6.267336  1.123298       4.193245  -4.845383      71.52452 
1 1 1 1   17  6  o 112.8118 46.59296 1.465281       7.093585  1.182313       4.407403  26.04371       79.94173 
1 1 1 1   17  7  o 137.1019 48.50570 3.301525       6.163387  4.502719       4.517716  2.225952       80.80389 
1 1 1 1   17  8  o 121.3396 47.15017 2.930533       6.250544  2.301719       4.398957  19.33701       79.13014 
1 1 1 1   17  9  o 104.8895 45.98727 1.706311       7.985056  -1.048629      4.700030  43.10612       81.55563 
1 1 1 1   17  10 o 111.4293 45.62150 2.837648       5.739229  0.6144504      4.515116  25.10004       76.30788 
1 1 1 1   17  11 o 181.1100 47.88721 10.42455       5.839559  6.376815       5.147940  36.50752       83.94459 
1 1 1 1   17  12 o 104.8423 43.79402 0.9931122      4.896915  0.8450620      4.620893  3.707840       72.52779 
1 1 1 1   17  13 o 290.8450 26.66743 19.68699       4.712626  18.77545       4.804226  7.877533       55.29896 
1 1 1 1   17  14 o 106.8368 44.75472 5.482941       4.944519  -3.609230      5.026647  54.42139       73.00985 
1 1 1 1   17  15 o 162.6470 43.35112 6.074687       4.192646  7.404338       4.768793  -13.29300      76.22945 
1 1 1 1   17  16 o 106.3415 43.61248 2.392832       3.936988  0.1572254E-01  5.757814  -0.7658005     71.97352 
1 1 1 1   17  17 o 247.3178 31.00297 15.28936       4.585089  14.10814       4.722209  12.95729       66.27877 
1 1 1 1   17  18 o 195.7671 39.55016 11.91186       4.390507  7.781494       4.931258  45.26950       75.12059 
1 1 1 1   17  19 o 69.81777 33.30188 -2.498393      3.829287  -2.599316      4.219305  -3.685440      56.66910 
1 1 1 1   17  20 o 85.46487 37.16318 0.9613486      3.412537  0.9288747      4.008387  -3.852631      60.04678 
1 1 1 1   17  21 o 97.17220 39.98039 4.644726       3.724005  -0.3212985     4.053840  29.11763       62.92294 
1 1 1 1   17  22 o 77.95550 35.98518 2.431473       3.681469  -3.731184      4.594374  19.06802       57.60217 
1 1 1 1   17  23 o 90.37791 38.52404 1.521548       3.405966  4.042486       4.374125  -14.37257      60.36126 
1 1 1 1   17  24 o 68.88750 32.58743 -2.453774      3.461141  2.162793       3.960792  -19.93772      53.12771 
1 1 1 1   17  25 o 84.97942 37.05097 -0.3405837     3.437199  6.682365       3.965688  -33.40844      57.51819 
1 1 1 1   17  26 o 95.51141 39.39711 6.497833       3.741846  2.152120       3.816802  21.60859       58.21578 
1 1 1 1   18  0  o 268.7053 52.43883 12.20132       8.364758  23.54417       8.490259  -84.87038      98.94741 
1 1 1 1   18  1  o 267.3257 56.66771 9.447019       8.999949  26.48074       9.213740  -119.5047      101.3149 
1 1 1 1   18  2  o 191.9947 54.57343 4.311526       6.814424  13.81262       6.796566  -72.20100      90.86977 
1 1 1 1   18  3  o 147.9835 52.56053 3.462217       6.549453  5.707537       5.658882  -9.994812      86.55511 
1 1 1 1   18  4  o 96.93587 43.64259 -2.416900      6.305425  -0.9099095     4.964693  7.431572       74.39366 
1 1 1 1   18  5  o 198.1710 72.18798 9.446375       8.136199  0.000000       0.000000  ?              ?        
1 1 1 1   18  6  o 397.2078 29.99799 42.83621       9.056179  32.45247       6.329320  48.87582       63.48114 
1 1 1 1   18  7  o 216.7130 46.24236 12.48890       7.064476  10.83638       5.343474  11.66451       88.13983 
1 1 1 1   18  8  o 185.3769 58.68010 0.000000       0.000000  8.599216       5.346874  ?              ?        
1 1 1 1   18  9  o 313.9780 41.78204 14.58248       10.40575  26.95052       6.663546  -104.3899      94.27551 
1 1 1 1   18  10 o 171.3704 51.18813 1.202814       6.588179  11.21890       5.325464  -70.95232      82.30078 
1 1 1 1   18  11 o 128.3404 49.68874 1.493254       6.391746  3.950074       5.094933  -5.829269      81.52547 
1 1 1 1   18  12 o 61.13928 30.76916 -14.65861      5.371380  -7.515791      5.220183  -14.45313      57.01403 
1 1 1 1   18  13 o 134.3912 47.72277 2.377187       5.085403  5.772285       4.903417  -24.64503      77.96731 
1 1 1 1   18  14 o 129.6599 45.82936 2.337261       4.408359  5.863146       4.817033  -30.17825      75.21429 
1 1 1 1   18  15 o 83.46239 38.02740 -5.526960      4.114935  4.205230       4.608754  -57.22545      65.59361 
1 1 1 1   18  16 o 107.5493 42.72654 4.193681       4.058086  -0.1634798     4.491468  26.62405       68.80322 
1 1 1 1   18  17 o 71.00685 34.47315 -2.583634      3.957851  -9.157701      6.428923  -4.913094      60.12772 
1 1 1 1   18  18 o 95.85865 40.49256 2.819354       4.015065  -0.8309685E-01 4.266117  15.56460       65.27223 
1 1 1 1   18  19 o 136.0931 44.71587 2.602110       4.183218  9.659040       4.571530  -54.95889      71.87453 
1 1 1 1   18  20 o 109.0113 47.59831 0.000000       0.000000  3.468515       4.300120  ?              ?        
1 1 1 1   18  21 o 82.53320 36.86678 2.287777       3.748677  -0.7752222     3.965413  13.73983       58.79342 
1 1 1 1   18  22 o 67.00465 32.16749 -2.503814      3.827735  -0.4974438     3.924591  -7.478394      52.68736 
1 1 1 1   18  23 o 61.59142 30.07887 -4.521746      3.715054  0.3297417      3.848006  -15.29152      49.86076 
1 1 1 1   18  24 o 72.17966 33.62898 0.4213092E-01  3.549562  1.191594       3.814744  -5.296082      52.61584 
1 1 1 1   18  25 o 76.42305 35.48591 1.012727       3.632493  2.655713       4.620205  -6.584648      54.08514 
1 1 1 1   18  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   19  0  o 195.1905 61.47635 12.27020       8.490761  8.232554       8.138556  26.02032       102.5398 
1 1 1 1   19  1  o 181.5116 62.39284 7.659014       8.418066  9.205651       8.567398  -9.456192      102.4498 
1 1 1 1   19  2  f 343.8965 37.19019 32.68541       7.988894  23.18917       7.638043  64.37680       79.29827 
1 1 1 1   19  3  o 146.3032 52.26673 6.110001       6.712676  3.925842       5.469338  21.74887       86.70264 
1 1 1 1   19  4  o 87.07705 42.63922 0.000000       0.000000  -9.482124      5.478437  ?              ?        
1 1 1 1   19  5  o 687.6899 37.43101 109.5404       11.24825  0.000000       0.000000  ?              ?        
1 1 1 1   19  6  o 277.9112 55.75711 0.000000       0.000000  19.43442       6.560243  ?              ?        
1 1 1 1   19  7  o 69.41483 34.92210 -28.79334      7.809589  -4.806803      6.086482  -28.42303      64.88245 
1 1 1 1   19  8  o 313.3756 39.19706 4.718057       7.702057  39.44674       7.227476  -244.4905      78.65714 
1 1 1 1   19  9  o 520.3077 30.10053 121.2571       15.40383  47.36227       7.634364  255.7652       63.70646 
1 1 1 1   19  10 o 100.7380 49.89670 -15.71983      8.255668  0.000000       0.000000  ?              ?        
1 1 1 1   19  11 o 248.1702 42.93712 8.474195       7.077341  19.68872       5.840843  -98.79420      83.35352 
1 1 1 1   19  12 o 100.9058 44.08978 -1.029954      5.652862  0.9570230      4.882690  -3.143219      73.07394 
1 1 1 1   19  13 o 149.6558 48.18687 1.487766       5.103410  10.05701       5.061077  -68.07511      77.17837 
1 1 1 1   19  14 o 302.1917 37.38296 22.85212       5.817485  21.83428       8.780225  40.45618       87.35757 
1 1 1 1   19  15 o 101.2733 42.45191 4.644757       4.560663  -1.586460      4.422052  39.04805       69.09158 
1 1 1 1   19  16 o 182.5608 43.56736 10.00487       4.606461  8.204874       5.172571  20.32240       79.01440 
1 1 1 1   19  17 o 88.88321 39.30134 2.646531       4.089458  -2.181306      4.469911  21.97192       63.87469 
1 1 1 1   19  18 o 92.40675 40.00454 1.306446       4.048551  1.443801       4.414605  -2.766838      64.10729 
1 1 1 1   19  19 o 99.69765 42.76991 0.9525902      4.051153  5.852751       5.963445  -27.09586      69.25093 
1 1 1 1   19  20 o 89.22118 39.45755 -1.428846      4.239253  4.514320       4.369260  -28.74786      62.84838 
1 1 1 1   19  21 o 97.63653 41.41396 4.159995       4.523171  2.274915       4.204196  9.403755       63.75378 
1 1 1 1   19  22 o 74.99224 34.75863 2.551092       3.776475  -1.580026      3.923860  15.44788       54.80101 
1 1 1 1   19  23 o 88.00579 38.55064 1.449773       4.017842  4.087442       4.016998  -11.55632      58.48304 
1 1 1 1   19  24 f 82.05050 37.00506 3.391422       4.000452  1.969957       3.971300  5.285416       55.21642 
1 1 1 1   19  25 o 62.29848 30.38604 -0.3723631     3.957427  -1.031065      3.701136  2.596565       47.58363 
1 1 1 1   20  0  o 236.5929 60.07973 18.55228       8.880446  13.22965       8.785186  35.53006       106.4074 
1 1 1 1   20  1  o 146.1842 59.20797 0.6153585      8.789130  7.592673       7.960721  -28.32062      94.84770 
1 1 1 1   20  2  o 376.3978 34.42574 37.30824       8.927339  31.02150       7.234940  26.56265       73.78522 
1 1 1 1   20  3  o 160.7327 52.85338 8.151254       6.838480  5.604336       5.554074  21.61388       88.39665 
1 1 1 1   20  4  o 102.3718 46.16555 -4.047827      7.426611  0.4114503      5.433607  -0.8378220     77.49720 
1 1 1 1   20  5  o 158.1933 54.00319 0.9719124      8.417624  8.409100       5.318837  -32.30420      87.61077 
1 1 1 1   20  6  o 231.9426 52.52798 0.5403610E-01  8.259490  23.25563       6.734765  -159.2354      82.78028 
1 1 1 1   20  7  o 213.3476 50.18692 9.639942       7.415348  13.11045       5.901128  -31.59142      91.14685 
1 1 1 1   20  8  o 186.0519 51.66503 7.130478       6.781553  10.48865       5.705729  -26.43314      88.73231 
1 1 1 1   20  9  o 160.7730 57.66000 5.321018       11.20606  7.023118       5.820907  7.079941       97.27938 
1 1 1 1   20  10 o 245.2353 45.51183 13.43172       7.452743  16.59635       6.089233  -35.47484      90.26007 
1 1 1 1   20  11 o 103.5607 46.10826 -0.7949608     7.115149  0.1211263      5.250640  10.45043       77.01449 
1 1 1 1   20  12 o 137.5061 50.41708 2.191900       6.113626  6.694413       5.239490  -25.80345      80.97274 
1 1 1 1   20  13 o 164.1526 49.24370 5.464420       5.573862  9.423196       5.263000  -31.68736      82.20867 
1 1 1 1   20  14 o 138.8119 52.48856 5.624176       5.150756  4.900175       8.301459  -2.297089      85.12207 
1 1 1 1   20  15 o 135.9986 47.78639 6.715137       5.128947  4.184170       4.870619  18.12283       77.23672 
1 1 1 1   20  16 o 104.2789 43.83639 -0.1788484     4.633555  5.075587       5.004969  -30.34679      70.38919 
1 1 1 1   20  17 o 108.4443 43.92134 2.410160       4.325574  4.503754       4.913667  -13.23359      69.44970 
1 1 1 1   20  18 o 103.1857 42.77178 1.581819       4.162325  5.114946       4.893287  -20.42371      67.52889 
1 1 1 1   20  19 o 94.63114 40.84553 1.864195       4.268666  2.602112       4.485455  -4.258827      63.98236 
1 1 1 1   20  20 o 95.72850 41.75151 5.608121       4.638054  0.9167221E-01  4.697948  23.76529       64.29956 
1 1 1 1   20  21 o 89.22327 40.94862 -0.6834477     4.443822  9.050233       6.373641  -30.70799      64.64521 
1 1 1 1   20  22 o 67.67550 32.47281 -1.103894      3.833373  -0.9466869E-01 4.051071  -4.094826      51.57196 
1 1 1 1   20  23 o 71.18603 33.80943 2.398007       4.028652  -1.155900      4.060600  10.64808       52.21043 
1 1 1 1   20  24 o 69.83915 33.37953 -1.314363      4.034770  2.962042       4.110418  -12.07548      51.18908 
1 1 1 1   20  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   21  0  o 160.6775 61.00500 8.735186       8.884050  7.331575       7.955531  7.094193       96.62189 
1 1 1 1   21  1  o 108.5842 50.19258 -0.5188673     8.924412  -2.145905      7.228827  14.91655       83.32439 
1 1 1 1   21  2  o 143.8496 56.41283 1.411854       7.933022  8.000361       6.858089  -29.39798      89.55943 
1 1 1 1   21  3  o 130.0232 51.00759 1.343457       6.873541  5.297224       5.392713  -14.95216      81.98526 
1 1 1 1   21  4  o 184.2215 53.21324 11.38715       8.148298  8.603354       5.467203  15.43106       93.03342 
1 1 1 1   21  5  o 132.0336 52.38469 11.77529       8.652146  0.8092127      5.301796  71.80711       90.01310 
1 1 1 1   21  6  o 124.1539 50.78820 8.294497       7.478600  -0.1604632E-01 5.428663  54.76226       84.94228 
1 1 1 1   21  7  o 98.47054 44.91798 -4.469888      7.487130  0.4177197      5.250272  -0.7686081     75.00455 
1 1 1 1   21  8  o 98.71842 44.40618 -1.673061      6.655843  0.1409634      5.060518  4.989662       73.93839 
1 1 1 1   21  9  o 106.0039 48.59218 -9.416399      11.32978  1.002480       5.728942  4.584419       81.58646 
1 1 1 1   21  10 o 107.7948 47.70359 3.426201       7.918083  -0.7180153     5.387678  32.08733       80.42647 
1 1 1 1   21  11 o 175.7287 53.30819 4.230523       7.122702  12.33728       5.734004  -57.11314      86.01376 
1 1 1 1   21  12 o 109.8140 47.31934 -4.028850      6.293010  6.182157       5.488971  -42.61366      75.50113 
1 1 1 1   21  13 o 88.07262 40.52375 -0.9473954     5.151279  -0.8760439     5.037449  0.5811844      66.84715 
1 1 1 1   21  14 o 89.20345 42.25261 -0.8110325     5.090597  -6.152946      8.816623  -7.338623      70.56226 
1 1 1 1   21  15 o 90.00191 40.91488 -0.3361166     5.046133  0.7608936      4.935337  -3.859146      66.03243 
1 1 1 1   21  16 o 104.9526 44.47068 5.543444       5.023860  0.5766074      5.001632  23.97872       69.55084 
1 1 1 1   21  17 o 121.9907 46.84094 7.630432       4.897007  2.826671       5.061861  27.46407       72.38800 
1 1 1 1   21  18 o 78.97516 36.99861 0.6050780      4.500938  -1.425335      4.600751  6.704094       59.44556 
1 1 1 1   21  19 o 83.92308 40.04914 0.1564493      4.111357  0.000000       0.000000  ?              ?        
1 1 1 1   21  20 o 72.29694 34.55280 -1.143957      4.133288  0.3557807      4.634374  -6.567833      54.85686 
1 1 1 1   21  21 o 66.25226 32.44729 -3.912933      4.428744  0.7331479      4.558418  -11.67076      51.99420 
1 1 1 1   21  22 o 74.69288 35.41603 7.828465       4.498857  -5.179760      4.311324  40.24847       56.78513 
1 1 1 1   21  23 o 69.73334 33.76464 0.4870894      4.038353  0.7583793      5.149625  -2.454216      51.33106 
1 1 1 1   21  24 o 65.23843 32.37731 -2.993567      4.418722  4.471258       5.922541  -13.76041      49.95736 
1 1 1 1   22  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   22  1  o 81.41837 40.17733 -10.76599      8.751750  -6.259750      6.420886  6.564568       69.22852 
1 1 1 1   22  2  o 129.0113 54.09077 7.042013       8.907116  2.783746       6.322846  23.02454       86.98489 
1 1 1 1   22  3  o 160.6203 59.43694 -6.980478      10.35552  14.75818       6.574754  -86.27349      87.14114 
1 1 1 1   22  4  o 148.4007 58.29942 14.70277       12.76905  4.742304       6.161518  40.15248       98.70660 
1 1 1 1   22  5  o 88.57780 42.29057 -6.163168      8.270258  -2.553246      5.528110  9.409294       71.96767 
1 1 1 1   22  6  o 138.3646 52.83663 1.212442       7.258221  7.774731       5.656901  -31.11477      83.14173 
1 1 1 1   22  7  o 103.6162 47.52654 1.995440       7.377341  -2.648033      6.556560  20.83567       78.24455 
1 1 1 1   22  8  o 145.9462 52.89492 6.928776       6.982427  5.889758       5.583676  7.180557       85.32085 
1 1 1 1   22  9  o 126.8108 54.57108 -3.882082      11.42676  5.780674       6.256228  -14.05133      85.98757 
1 1 1 1   22  10 o 157.9790 55.25159 2.606629       7.646348  11.42803       5.995260  -50.09642      85.85697 
1 1 1 1   22  11 o 118.9410 51.09579 3.990536       7.900479  2.757830       6.033470  10.16456       81.23552 
1 1 1 1   22  12 o 113.8587 49.00020 1.749965       6.772923  3.942316       5.844587  -6.335434      77.02486 
1 1 1 1   22  13 o 120.7019 48.39411 7.995090       5.640041  1.446567       5.394793  34.48579       75.76463 
1 1 1 1   22  14 o 114.4127 50.82116 4.112545       5.102309  0.000000       0.000000  ?              ?        
1 1 1 1   22  15 o 82.04658 39.72641 -2.514333      5.154795  -2.596059      8.437526  -13.80749      65.71055 
1 1 1 1   22  16 o 87.04630 40.43755 -4.625312      5.292016  5.076597       5.215838  -33.26580      65.15653 
1 1 1 1   22  17 o 91.27641 42.05954 -4.623912      5.000160  11.19137       6.231272  -57.29665      69.54867 
1 1 1 1   22  18 o 70.19671 34.15353 -1.117854      4.585297  -3.020235      4.926803  3.191483       55.13995 
1 1 1 1   22  19 o 78.77545 37.27673 1.435533       4.583733  -0.1125697     5.120963  3.037964       57.50164 
1 1 1 1   22  20 o 60.29689 30.02596 -2.320045      4.274436  -4.820379      4.660388  3.115311       48.84426 
1 1 1 1   22  21 o 73.58401 35.37788 3.389197       4.568184  -2.456200      4.903080  13.70813       54.25912 
1 1 1 1   22  22 o 65.17218 32.15242 0.8237270      4.600441  -2.433769      4.761335  5.886185       49.57463 
1 1 1 1   22  23 o 83.61166 39.57516 4.519500       6.664056  5.742952       4.724388  -5.654869      55.15484 
1 1 1 1   23  0  o 107.1130 49.17896 6.779450       8.667459  -2.465523      6.628270  34.48438       80.26430 
1 1 1 1   23  1  o 91.87377 44.12840 1.691923       8.484381  -5.982522      6.523097  28.85216       74.43806 
1 1 1 1   23  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   23  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   23  4  o 128.1713 59.53133 -1.405833      12.13322  6.764541       10.74822  -14.77937      91.68192 
1 1 1 1   23  5  o 106.1723 48.08862 1.417553       8.262174  0.9117198      5.933734  10.57494       77.44368 
1 1 1 1   23  6  o 177.5181 60.91669 6.471016       9.483773  15.22912       7.177295  -49.46672      93.19718 
1 1 1 1   23  7  o 100.7338 47.26448 -7.630008      9.549886  2.648400       6.344830  -12.31033      75.37650 
1 1 1 1   23  8  o 110.5385 51.32603 0.000000       0.000000  1.366907       5.973537  ?              ?        
1 1 1 1   23  9  o 90.32906 43.93165 3.453524       12.25194  -5.662978      6.209737  36.47578       76.61417 
1 1 1 1   23  10 o 102.0039 46.52857 -12.71287      7.634740  9.433776       5.787478  -62.91265      73.35136 
1 1 1 1   23  11 o 93.13996 43.74601 -2.367334      7.653228  0.7773060      5.653255  -0.6067886     69.89001 
1 1 1 1   23  12 o 105.2010 49.99054 0.000000       0.000000  1.046440       6.268559  ?              ?        
1 1 1 1   23  13 o 109.0764 48.23492 5.644474       7.890773  2.375183       5.561609  13.55808       75.19147 
1 1 1 1   23  14 o 82.77251 39.87751 2.174940       5.461578  -8.308872      6.965799  18.32871       64.19370 
1 1 1 1   23  15 o 121.9576 51.44085 5.904029       5.548468  9.278584       8.892118  -4.066353      76.80747 
1 1 1 1   23  16 o 90.00119 41.25776 -0.1033229     5.304699  3.785989       5.125530  -12.50295      63.52135 
1 1 1 1   23  17 o 73.65533 35.77900 -1.257453      5.024257  -1.293914      5.293246  -0.9171753     56.64777 
1 1 1 1   23  18 o 69.32973 34.04510 -6.371212      4.758570  4.330655       5.399239  -25.82234      55.66417 
1 1 1 1   23  19 o 70.21485 34.37156 -3.827614      4.787280  2.554394       5.296491  -15.14368      54.30074 
1 1 1 1   23  20 o 71.54150 34.73195 1.571381       4.710069  -1.053445      4.975941  5.275467       53.00155 
1 1 1 1   23  21 o 56.90517 28.71096 -3.014656      4.737384  -5.191959      4.810023  2.929211       45.88479 
1 1 1 1   23  22 o 58.84752 29.62782 -2.748769      4.873384  -2.570317      4.999799  -0.5694695     46.07627 
1 1 1 1   24  0  o 108.6161 49.41018 -1.909222      8.312500  4.921761       6.574240  -15.57896      76.65100 
1 1 1 1   24  1  o 83.75442 41.16916 -2.195890      9.622073  -6.131300      6.284577  21.18752       69.43971 
1 1 1 1   24  2  o 104.0268 48.44820 3.932212       11.44226  0.3103967      6.103577  19.07935       78.24107 
1 1 1 1   24  3  o 104.0130 48.48829 -5.350685      13.09653  2.250189       5.946973  2.909431       77.07040 
1 1 1 1   24  4  o 78.49731 38.85568 -1.279583      8.943110  -8.781212      5.989985  29.05694       67.85245 
1 1 1 1   24  5  f 117.1800 50.43127 3.565198       7.888557  4.391302       5.827805  -0.2292938     78.12656 
1 1 1 1   24  6  f 124.0609 58.41601 -0.5787495     11.92360  10.00333       11.29185  -18.04182      87.63172 
1 1 1 1   24  7  o 103.5387 50.87632 5.940213       12.00848  -10.06185      10.75854  24.63595       80.88736 
1 1 1 1   24  8  o 96.77741 48.52977 -13.89907      11.65867  -1.131884      13.76788  -17.28698      77.98994 
1 1 1 1   24  9  o 82.65931 40.95901 -10.88005      12.91855  -5.004897      6.192849  15.93143       69.02973 
1 1 1 1   24  10 o 123.6940 54.72213 4.791886       9.946825  7.147271       7.246305  -6.973969      81.46296 
1 1 1 1   24  11 f 98.80878 47.05123 6.919089       10.39076  -1.627880      6.667885  22.59628       74.73210 
1 1 1 1   24  12 o 116.6451 52.80573 10.12145       9.477500  3.792640       7.339334  13.55442       78.46577 
1 1 1 1   24  13 o 103.0892 48.99770 0.000000       0.000000  3.545144       6.028559  ?              ?        
1 1 1 1   24  14 o 85.87663 41.02008 3.791655       5.549410  -4.806074      6.941900  16.29079       63.54044 
1 1 1 1   24  15 o 72.05876 35.33023 -2.549018      5.402057  -1.816892      5.341036  -1.340080      56.37564 
1 1 1 1   24  16 o 82.63180 39.08990 -0.9002885     5.223340  4.146256       5.388363  -13.39858      59.65521 
1 1 1 1   24  17 o 80.40749 38.18275 1.449931       5.139715  1.738926       5.169026  -0.7614136     57.60843 
1 1 1 1   24  18 o 75.21686 36.58912 -0.5904392     5.055995  1.750748       5.929914  -6.118019      55.85911 
1 1 1 1   24  19 o 74.04183 35.93995 0.2399114      5.007561  2.825185       5.358914  -5.400337      53.59155 
1 1 1 1   24  20 o 77.10131 37.34508 1.529734       5.065656  5.189465       6.095845  -6.071518      54.19707 
1 1 1 1   24  21 o 75.70080 36.60750 -0.2210383     5.240780  7.527871       5.240199  -14.05775      52.67694 
1 1 1 1   25  0  o 83.97513 41.41161 -3.252969      9.839794  -4.888571      6.578461  13.69238       67.82973 
1 1 1 1   25  1  o 87.71380 42.93193 -3.028930      11.54945  -2.865342      6.306904  13.94923       69.79930 
1 1 1 1   25  2  o 96.77299 46.46038 -8.137540      13.40265  1.276684       6.321626  1.644005       73.26186 
1 1 1 1   25  3  o 84.67879 41.71819 -7.247524      13.73878  -3.798546      6.008196  17.48047       69.60503 
1 1 1 1   25  4  o 109.3853 50.49883 7.314320       12.03852  2.791321       6.412757  11.28988       77.62328 
1 1 1 1   25  5  f 89.29115 42.49588 -2.858693      7.599675  1.131474       5.710093  -3.429955      66.95846 
1 1 1 1   25  6  o 98.43380 45.50797 1.291695       7.667145  2.350312       5.789714  0.7531204      70.26054 
1 1 1 1   25  7  o 84.27019 40.69151 -1.729102      7.132588  -1.404438      5.879903  3.824173       64.92180 
1 1 1 1   25  8  o 88.04593 42.86963 2.446020       11.78392  -2.495449      5.955594  19.12908       69.54321 
1 1 1 1   25  9  o 84.74761 41.53577 3.284679       7.933723  -6.476135      6.964962  20.33414       66.59064 
1 1 1 1   25  10 o 103.1361 50.81354 13.36933       12.94009  -3.116750      10.53456  17.94093       75.54687 
1 1 1 1   25  11 o 110.9040 54.01731 1.654142       12.71124  14.41072       11.33199  -14.52885      76.60391 
1 1 1 1   25  12 o 113.7788 55.27082 4.652151       12.74312  19.03795       11.90029  -15.50651      76.42700 
1 1 1 1   25  13 o 81.76755 42.04207 0.000000       0.000000  -12.54229      10.64728  ?              ?        
1 1 1 1   25  14 o 74.81070 37.02197 -4.122687      5.989591  1.213804       6.847465  -10.67071      57.98086 
1 1 1 1   25  15 f 77.47231 38.14785 4.762343       6.369297  -6.026865      6.599032  17.49030       58.96911 
1 1 1 1   25  16 o 84.11382 40.84011 -1.134294      6.566692  6.406725       6.828195  -12.89643      60.56718 
1 1 1 1   25  17 o 87.74047 42.30197 5.251641       6.654603  5.702615       7.107371  -0.2133331     59.66413 
1 1 1 1   25  18 o 75.72740 37.48433 1.036716       6.172635  3.967764       7.005709  -3.860573      54.55103 
1 1 1 1   25  19 o 65.03129 32.43203 0.8434385      5.030722  -2.614061      5.570002  4.207993       49.17026 
1 1 1 1   25  20 o 68.10889 33.80612 1.637186       5.285140  1.449355       5.669021  0.1487198      49.35591 
1 1 1 1   26  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   26  1  o 92.54219 45.07263 -11.07875      13.92939  1.974614       6.497091  -3.084152      69.53680 
1 1 1 1   26  2  o 99.55312 47.77143 -1.883439      14.54884  2.745474       6.623112  1.384102       72.68755 
1 1 1 1   26  3  o 108.9539 51.37600 -5.081845      13.08468  8.432039       7.311530  -18.50697      75.08679 
1 1 1 1   26  4  f 108.7623 50.83289 6.680724       10.77137  5.013252       7.248374  1.704361       74.53181 
1 1 1 1   26  5  o 89.28472 42.80248 17.27784       8.498869  -7.539565      5.839593  62.17923       73.83351 
1 1 1 1   26  6  o 87.74487 42.09402 0.9616221      7.738089  -0.4531858     5.863439  7.378510       65.76479 
1 1 1 1   26  7  o 92.09029 44.32611 2.882048       11.99443  0.4220962      5.883103  10.66434       68.97650 
1 1 1 1   26  8  o 99.19201 47.14286 7.620675       12.09189  2.133704       6.288720  9.524055       71.21899 
1 1 1 1   26  9  o 107.6771 48.47038 4.039033       7.642849  6.666924       6.187626  -8.248154      70.78693 
1 1 1 1   26  10 o 86.91374 42.67138 0.5683334      8.755908  -0.2454139     7.283300  3.136772       64.86758 
1 1 1 1   26  11 o 66.73618 33.71132 -8.804813      7.932494  -6.334325      5.900872  4.355423       55.05074 
1 1 1 1   26  12 o 82.23679 40.20986 -1.660847      7.768894  1.632389       6.143196  -3.058220      60.98139 
1 1 1 1   26  13 o 93.82264 45.80256 0.000000       0.000000  5.616416       6.180988  ?              ?        
1 1 1 1   26  14 o 75.09254 36.92730 5.414806       6.166576  -4.514934      5.860323  17.37361       56.71913 
1 1 1 1   26  15 o 74.28345 38.09789 -2.450955      12.45021  -4.169366      10.75048  1.624771       56.25381 
1 1 1 1   26  16 o 77.78983 39.58611 6.645352       10.49534  -1.071468      10.38587  4.473351       56.78806 
1 1 1 1   26  17 o 75.16685 38.41524 7.826794       10.79144  -2.068281      10.67920  4.905846       54.94281 
1 1 1 1   26  18 o 66.31789 34.11661 -6.765708      10.37147  -0.2312008     9.815196  -2.539345      50.21082 
1 1 1 1   27  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   27  4  o 90.03371 44.08627 -2.868713      10.76088  2.597939       6.979818  -3.319336      66.28905 
1 1 1 1   27  5  o 85.25674 42.20626 0.2706722      10.58169  -1.259912      7.069126  6.258690       64.60029 
1 1 1 1   27  6  o 75.06574 37.26366 -8.799840      7.582808  0.5243184      5.994196  -9.638374      58.87915 
1 1 1 1   27  7  o 79.62916 39.58115 9.041105       12.58563  -4.472544      5.943815  21.45351       63.60714 
1 1 1 1   27  8  o 84.31816 41.61790 7.566509       12.53998  -1.337301      6.211438  13.13465       63.84298 
1 1 1 1   27  9  o 84.23788 41.17854 -1.395778      8.216040  3.072834       6.391679  -5.184776      61.47408 
1 1 1 1   27  10 o 85.41858 41.48952 2.258110       7.962078  2.554395       6.211120  0.1844406      61.22110 
1 1 1 1   27  11 o 89.16207 43.22907 9.187028       8.763000  1.728073       6.563548  9.586433       62.64095 
1 1 1 1   27  12 o 68.34677 34.43275 -2.071729      7.470307  -4.654216      6.165868  5.653221       53.65963 
1 1 1 1   27  13 o 69.28196 35.16207 -2.456017      13.33714  -4.271330      6.103727  8.453835       54.35151 
1 1 1 1   27  14 o 71.13046 35.33845 -0.4347093     5.873644  0.7362420      6.194740  -2.002182      52.95731 
1 1 1 1   27  15 o 72.50243 35.87545 -0.9901602     5.990251  4.307307       5.970741  -7.470573      52.71984 
1 1 1 1   27  16 f 72.98669 37.75961 0.000000       0.000000  4.421450       10.88104  ?              ?        
1 1 1 1   28  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   28  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 1   28  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -25 0  o 97.37808 48.53922 0.000000       0.000000  -1.787658      8.317711  ?              ?        
1 1 1 2   -25 1  o 126.1891 52.68793 7.198626       6.125856  7.956590       7.989464  1.624641       77.82333 
1 1 1 2   -25 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -24 0  o 84.10088 41.17118 -6.727898      6.245411  1.887548       8.823702  -27.06233      69.24141 
1 1 1 2   -24 1  o 84.60011 41.24641 -1.284901      6.169301  -6.227637      8.369950  0.9599609      66.54239 
1 1 1 2   -24 2  o 105.6801 48.62292 4.142652       5.673123  -4.152123      12.76536  5.027481       74.73507 
1 1 1 2   -24 3  o 82.50903 40.56073 -4.958512      5.569622  -0.3140234     12.86377  -28.27448      70.05366 
1 1 1 2   -24 4  o 92.59685 44.38733 -1.101073      6.197376  0.9371042E-01  9.399990  -11.25618      70.86024 
1 1 1 2   -23 0  o 90.59000 43.09388 -2.554692      5.782474  0.3611982      7.985001  -17.25070      70.83333 
1 1 1 2   -23 1  o 84.93808 42.01596 -5.081217      6.599866  -10.00220      12.01207  -13.43727      70.34924 
1 1 1 2   -23 2  o 108.3880 49.35357 0.7488070      5.638824  9.703167       12.79745  -30.07567      81.90161 
1 1 1 2   -23 3  o 131.1415 52.21733 5.816992       5.698400  6.563715       7.366457  -2.430008      80.83730 
1 1 1 2   -23 4  o 93.29208 43.81153 2.003434       5.733765  -4.066319      7.513659  9.498138       69.61971 
1 1 1 2   -23 5  o 99.06105 47.27526 0.3316036E-01  7.021605  -1.757587      9.914752  -4.366875      74.86569 
1 1 1 2   -23 6  o 106.2069 49.78136 1.610792       7.067158  1.496504       10.35354  -5.925346      77.55208 
1 1 1 2   -22 0  o 128.8734 60.18499 0.9683018      11.04805  5.260028       12.94203  -11.30159      93.26174 
1 1 1 2   -22 1  o 167.2324 70.80784 18.72275       11.39726  5.002412       14.56183  36.82649       103.4588 
1 1 1 2   -22 2  o 137.0322 55.74926 5.234537       5.806474  11.10990       12.39656  -18.33499      90.22022 
1 1 1 2   -22 3  o 77.76699 38.03337 -3.577766      5.498875  -7.183930      6.976931  -1.383049      64.14156 
1 1 1 2   -22 4  o 107.3324 47.56026 5.409573       5.551146  -3.813149      7.404665  26.33171       74.46635 
1 1 1 2   -22 5  o 98.61821 46.59038 -2.856871      6.297433  3.375849       9.779870  -27.89013      77.48741 
1 1 1 2   -22 6  o 93.31950 45.23194 2.676630       7.034121  -14.63399      9.935040  21.21608       72.97876 
1 1 1 2   -22 7  o 111.5688 50.93604 2.240507       6.594937  2.791026       10.22937  -8.586899      80.04636 
1 1 1 2   -22 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -21 0  o 146.3500 58.24038 3.748482       6.622327  13.81373       10.51713  -43.26712      95.35474 
1 1 1 2   -21 1  o 122.0274 55.05352 1.897564       6.244177  0.000000       0.000000  ?              ?        
1 1 1 2   -21 2  f 104.6051 47.17908 1.061705       6.016177  -0.7333178     7.069476  0.8490829      76.56641 
1 1 1 2   -21 3  o 132.8759 61.43919 -2.831049      11.36281  10.00270       12.55764  -29.90327      96.45084 
1 1 1 2   -21 4  o 132.1565 60.92863 5.599549       10.86489  0.9571839      12.49607  7.459534       93.89128 
1 1 1 2   -21 5  o 140.9062 64.08801 11.30737       11.62758  1.087823       13.01244  20.68207       96.62146 
1 1 1 2   -21 6  o 123.2927 54.14827 6.457817       6.842864  -1.861417      9.945145  18.58270       83.78241 
1 1 1 2   -21 7  o 106.5146 49.94590 2.810657       7.025307  -7.171287      10.78032  9.736465       79.29446 
1 1 1 2   -21 8  o 117.6264 53.52090 2.906293       6.979161  2.462054       12.17068  -8.293587      84.35368 
1 1 1 2   -21 9  o 125.4949 56.93349 4.620988       6.789051  0.000000       0.000000  ?              ?        
1 1 1 2   -20 0  o 144.2473 56.71285 4.982169       5.792479  5.688995       12.49098  -21.69241      96.25835 
1 1 1 2   -20 1  o 92.90607 44.00260 -4.306549      5.175693  0.7260129      12.45181  -57.03359      84.51596 
1 1 1 2   -20 2  o 161.7215 54.48349 7.133105       5.803357  8.490506       7.438429  -8.502289      89.60095 
1 1 1 2   -20 3  o 108.2823 49.33225 -0.7887192     6.201577  1.282662       9.328946  -22.43094      82.25551 
1 1 1 2   -20 4  o 94.79519 44.95493 -5.501676      6.053605  1.762996       8.978271  -39.50458      78.71352 
1 1 1 2   -20 5  o 107.8473 49.42271 -4.384211      6.289199  9.584791       9.740508  -61.59584      86.29354 
1 1 1 2   -20 6  o 105.5728 49.90878 -1.626346      7.600825  -2.757990      10.19868  -8.614250      81.67589 
1 1 1 2   -20 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -20 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -20 9  o 148.7566 62.01302 8.589521       6.718861  0.000000       0.000000  ?              ?        
1 1 1 2   -20 10 o 139.3463 57.36341 4.758509       6.324600  14.44853       12.56934  -27.92854      92.81019 
1 1 1 2   -19 0  f 154.9105 59.18375 9.114398       6.223789  -9.239679      12.83299  40.27837       93.61952 
1 1 1 2   -19 1  o 108.9534 48.42128 0.2597111      4.994347  -3.531466      12.50002  -36.12061      87.73230 
1 1 1 2   -19 2  o 123.3720 49.94395 2.133005       5.205356  3.793466       7.090332  -20.39585      82.59216 
1 1 1 2   -19 3  o 133.5673 52.22488 10.16935       5.773954  -5.002001      6.927627  77.12968       80.47672 
1 1 1 2   -19 4  o 96.49638 44.33710 -1.780598      5.269401  -0.9025451     7.389230  -19.63513      75.34379 
1 1 1 2   -19 5  o 138.4161 52.31160 4.611289       5.262292  6.039258       7.707468  -14.34132      85.64340 
1 1 1 2   -19 6  o 88.04826 43.02264 -9.075436      6.302813  -1.341362      11.17197  -47.65688      79.95889 
1 1 1 2   -19 7  o 165.4563 60.45260 10.57248       6.413120  1.828942       12.56495  30.64407       94.77748 
1 1 1 2   -19 8  o 128.5384 62.55215 0.000000       0.000000  -3.210972      11.27522  ?              ?        
1 1 1 2   -19 9  o 102.2171 47.84017 2.092108       6.098081  -12.68622      11.21255  9.668793       77.68181 
1 1 1 2   -19 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -19 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -19 12 o 115.1638 53.33469 1.305794       6.387029  0.000000       0.000000  ?              ?        
1 1 1 2   -18 0  o 130.4729 53.40939 6.968051       5.490571  -14.56680      10.47005  47.75787       84.32496 
1 1 1 2   -18 1  o 144.9542 52.36502 3.825616       5.419812  6.174659       6.930932  -23.69669      86.99066 
1 1 1 2   -18 2  o 117.1974 49.14627 -0.5294938     5.139737  5.563815       7.599850  -51.05592      84.34534 
1 1 1 2   -18 3  o 207.0165 50.35832 12.64331       5.617536  8.061933       7.652298  38.56395       90.03689 
1 1 1 2   -18 4  o 235.9807 46.38215 16.66222       5.917401  10.13529       7.433819  60.78241       88.50455 
1 1 1 2   -18 5  o 138.7480 52.75963 6.012559       5.344527  0.9630395      7.958857  15.22394       85.36349 
1 1 1 2   -18 6  o 156.7935 53.12748 3.000143       4.921215  20.08901       9.309771  -110.8862      94.09229 
1 1 1 2   -18 7  o 117.8858 51.62881 2.627134       5.790977  -2.964191      10.69854  -5.883636      85.32484 
1 1 1 2   -18 8  o 200.8740 78.71700 0.000000       0.000000  15.83723       10.09530  ?              ?        
1 1 1 2   -18 9  o 176.5105 60.14264 12.95690       6.928846  4.566613       9.395549  45.76247       94.48773 
1 1 1 2   -18 10 o 131.9353 54.69326 5.180652       6.380987  3.264158       8.894314  1.768723       86.54858 
1 1 1 2   -18 11 o 139.6574 55.68922 4.015156       6.441091  8.603799       8.501097  -23.69583      89.06767 
1 1 1 2   -18 12 o 147.9913 56.59377 3.284319       6.341450  14.64301       8.695772  -53.76328      91.44694 
1 1 1 2   -18 13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -17 0  o 384.7712 32.67069 39.18502       6.377153  18.60322       10.58105  151.5594       89.79438 
1 1 1 2   -17 1  o 61.31223 31.15094 -7.656458      5.596724  -31.03620      7.289245  ?              ?        
1 1 1 2   -17 2  o 236.4789 56.03052 14.02556       5.722229  0.000000       0.000000  ?              ?        
1 1 1 2   -17 3  o 221.1586 47.77437 13.87374       5.667595  8.888525       7.396915  43.59364       88.78930 
1 1 1 2   -17 4  f 288.6961 48.80695 20.53662       5.960442  0.000000       0.000000  ?              ?        
1 1 1 2   -17 5  o 255.4542 44.64153 13.89439       5.817448  20.79986       8.609001  -40.95888      92.02576 
1 1 1 2   -17 6  o 192.2332 50.99603 9.193244       5.136889  10.86606       8.314728  -10.17662      92.56468 
1 1 1 2   -17 7  o 97.64762 45.40165 -2.353046      5.415092  -3.546949      9.451241  -27.30016      79.87894 
1 1 1 2   -17 8  o 111.5409 50.21697 -0.9546321     6.274969  1.453428       9.090316  -25.26505      84.40623 
1 1 1 2   -17 9  o 153.1614 56.59389 8.380128       6.502737  3.442594       7.932651  23.79689       90.34097 
1 1 1 2   -17 10 f 90.78889 43.13861 -6.222615      6.026503  0.4399203      7.372956  -31.14692      74.42198 
1 1 1 2   -17 11 o 105.4364 47.86523 -0.6440687     6.274168  0.7500767      7.484943  -11.83276      78.37133 
1 1 1 2   -17 12 o 140.0869 54.60841 4.979960       6.532743  6.322815       7.198287  -8.011353      86.73061 
1 1 1 2   -17 13 o 93.12628 44.63379 -6.510931      6.672306  1.238568       8.409521  -29.92410      75.80607 
1 1 1 2   -17 14 o 126.0728 54.08123 5.720457       6.715076  0.9779049      8.885506  11.97446       84.48107 
1 1 1 2   -16 0  o 221.8907 43.57590 13.58715       4.694610  5.998833       8.329524  58.73131       85.04035 
1 1 1 2   -16 1  o 133.7731 49.59586 4.378336       4.912793  2.042826       6.273684  5.581711       81.80206 
1 1 1 2   -16 2  o 96.63591 45.27662 -4.286046      4.820001  0.000000       0.000000  ?              ?        
1 1 1 2   -16 3  o 338.1634 42.44819 26.64048       6.157956  0.000000       0.000000  ?              ?        
1 1 1 2   -16 4  o 186.7870 53.92059 13.49544       5.720794  -1.180386      8.048097  90.47429       85.03196 
1 1 1 2   -16 5  o 142.6849 52.30354 4.004194       4.994760  5.095668       8.312013  -26.65430      89.46233 
1 1 1 2   -16 6  f 305.0647 62.27053 0.000000       0.000000  24.24619       8.050231  ?              ?        
1 1 1 2   -16 7  o 103.4130 47.45765 1.359771       6.011637  -9.435239      8.432801  17.26894       79.58505 
1 1 1 2   -16 8  o 112.3230 49.22261 -3.110849      5.889379  5.704145       7.514720  -53.15891      83.65542 
1 1 1 2   -16 9  f 266.0592 47.77107 14.75503       6.799253  24.42787       8.755383  -59.96098      96.51113 
1 1 1 2   -16 10 o 339.2620 39.53241 31.26427       7.795277  25.36036       8.590414  52.33774       87.97764 
1 1 1 2   -16 11 o 120.5212 51.62104 2.166331       6.468089  1.964253       7.390348  -3.886002      83.50738 
1 1 1 2   -16 12 o 107.1664 48.68948 -0.9682436     7.433676  0.4089725      6.726356  -0.8349609     79.42850 
1 1 1 2   -16 13 o 112.8686 50.15586 -1.224911      6.103724  5.886878       8.585768  -37.96893      83.61388 
1 1 1 2   -16 14 o 77.60651 38.63599 -9.987707      6.732701  -8.827019      8.195740  -12.25198      67.35786 
1 1 1 2   -16 15 o 149.0977 55.75368 6.297582       6.512009  8.387219       7.468895  -10.56206      88.21493 
1 1 1 2   -15 0  o 208.4014 45.15014 8.600942       4.601909  15.87366       8.154268  -60.87108      88.85105 
1 1 1 2   -15 1  o 192.7909 41.49072 8.122946       4.351657  9.918095       5.466464  -17.67511      78.16173 
1 1 1 2   -15 2  o 168.5071 52.98775 6.743394       4.366547  0.000000       0.000000  ?              ?        
1 1 1 2   -15 3  o 255.3901 37.84641 22.82907       5.271557  3.189950       6.569560  161.1998       73.53456 
1 1 1 2   -15 4  o 221.6574 48.37979 11.15576       5.462645  13.25061       8.350655  -16.45096      93.06598 
1 1 1 2   -15 5  o 79.30470 38.53454 -4.923575      4.991446  -12.08658      8.003381  -12.83121      69.90379 
1 1 1 2   -15 6  o 321.0781 32.63494 21.12587       5.658445  27.89103       7.570627  -40.89850      68.82046 
1 1 1 2   -15 7  o 139.6519 49.48942 4.967420       4.945338  3.283422       5.916121  6.102966       81.62817 
1 1 1 2   -15 8  o 461.5142 33.00935 48.99588       8.779094  49.35984       10.14351  5.564575       69.39324 
1 1 1 2   -15 9  o 333.0191 35.44537 22.46380       6.876834  30.68639       7.596528  -54.25327      75.39317 
1 1 1 2   -15 10 o 129.8962 58.14355 0.2697630      6.813264  0.000000       0.000000  ?              ?        
1 1 1 2   -15 11 o 145.5651 55.47020 11.01645       6.841904  -0.7910633     7.053691  65.08712       87.64929 
1 1 1 2   -15 12 f 140.5842 54.22831 10.40795       7.018107  0.3076029      6.408739  59.01736       87.05120 
1 1 1 2   -15 13 o 160.9764 56.06919 3.911955       6.309942  13.10753       7.603848  -56.18610      91.22745 
1 1 1 2   -15 14 o 182.3749 57.68329 10.88835       7.314542  9.949184       7.301915  5.869781       94.93008 
1 1 1 2   -15 15 o 91.36069 42.83178 -1.379257      5.930069  -2.580279      6.321488  1.330704       70.91390 
1 1 1 2   -15 16 o 154.9341 54.73198 7.808794       6.319912  7.540980       6.826920  2.096069       87.43746 
1 1 1 2   -14 0  o 227.6506 39.61702 13.80860       4.447446  7.116097       7.402848  57.34473       81.17149 
1 1 1 2   -14 1  o 204.4858 36.84978 9.358277       4.096896  10.20090       5.058319  -7.480118      72.80868 
1 1 1 2   -14 2  o 302.3553 29.38226 27.84743       5.063851  10.72224       5.918437  140.7889       69.33498 
1 1 1 2   -14 3  o 276.1752 33.49414 22.42656       5.127038  9.840308       6.292178  110.7377       74.23496 
1 1 1 2   -14 4  o 142.7275 50.16939 2.464936       4.626895  8.922051       7.204244  -63.22614      86.32107 
1 1 1 2   -14 5  o 76.02943 36.99459 -2.978575      4.702470  -15.25668      7.220826  6.088875       65.95786 
1 1 1 2   -14 6  o 352.6198 27.65729 27.27108       5.783346  28.65536       6.245920  -7.841522      56.65513 
1 1 1 2   -14 7  o 114.4153 53.12897 0.000000       0.000000  -4.557299      6.401888  ?              ?        
1 1 1 2   -14 8  o 210.4718 52.83833 13.85982       6.433467  7.089645       7.453438  52.32487       92.29281 
1 1 1 2   -14 9  o 151.0912 54.56835 4.900005       6.646314  5.276267       6.469640  -1.512680      89.56152 
1 1 1 2   -14 10 o 254.2618 62.16595 17.37775       6.874292  0.000000       0.000000  ?              ?        
1 1 1 2   -14 11 o 165.2295 54.82636 3.986299       6.754305  9.894613       6.374187  -39.40656      89.45252 
1 1 1 2   -14 12 o 344.3690 33.58098 24.42961       6.864282  32.89734       7.322978  -55.65247      72.35279 
1 1 1 2   -14 13 o 145.8218 53.87137 -0.8824699E-01 5.897931  13.75556       7.175803  -89.66127      86.63720 
1 1 1 2   -14 14 f 346.7069 35.82885 34.87263       7.352829  23.89025       7.862370  85.99634       81.41667 
1 1 1 2   -14 15 o 220.2287 47.22017 19.08468       6.434511  8.265848       6.093777  87.61296       85.85994 
1 1 1 2   -14 16 o 102.2611 46.17341 -0.1382619     6.020740  0.5802467      6.454493  -5.307465      75.07833 
1 1 1 2   -14 17 o 101.4262 45.69913 2.350945       5.986138  -1.715984      6.140264  15.16467       74.08470 
1 1 1 2   -13 0  o 270.6843 26.01893 14.83016       4.024786  18.63045       4.678958  -30.81421      53.54535 
1 1 1 2   -13 1  o 351.4429 22.96661 32.16700       4.810259  22.07194       5.167866  68.25198       48.53623 
1 1 1 2   -13 2  o 643.0549 25.21364 91.90024       7.098104  0.000000       0.000000  ?              ?        
1 1 1 2   -13 3  o 591.6784 26.15179 77.91456       6.770396  0.000000       0.000000  ?              ?        
1 1 1 2   -13 4  o 273.2924 33.37996 15.12868       4.677620  21.34729       7.175159  -43.48489      71.62735 
1 1 1 2   -13 5  o 479.3631 22.10271 46.66515       5.796970  58.86808       7.716949  -54.02087      45.31361 
1 1 1 2   -13 6  o 212.9757 37.62336 8.628581       4.553006  12.96310       5.065537  -42.78891      73.59418 
1 1 1 2   -13 7  o 282.3306 33.46004 22.52873       5.534615  13.02584       5.984184  81.53424       72.05045 
1 1 1 2   -13 8  o 88.24472 42.37724 -2.924046      6.291020  -11.22124      7.294079  15.57374       74.55306 
1 1 1 2   -13 9  o 118.1222 54.32347 0.000000       0.000000  -3.593341      6.461116  ?              ?        
1 1 1 2   -13 10 o 255.7568 64.53004 17.07209       7.237828  0.000000       0.000000  ?              ?        
1 1 1 2   -13 11 o 144.2471 51.63749 4.161691       5.699704  5.394450       6.025865  -10.28311      84.83647 
1 1 1 2   -13 12 o 309.4459 34.24262 20.76651       6.213170  24.76033       6.746109  -27.12613      72.74039 
1 1 1 2   -13 13 o 144.2747 53.69380 5.357949       5.989463  4.889013       6.966458  -0.7281647     87.12892 
1 1 1 2   -13 14 o 302.2258 35.95108 25.16861       6.640258  19.39591       6.576321  46.04068       77.90234 
1 1 1 2   -13 15 o 120.6217 48.99297 1.233144       5.619182  4.838098       5.852059  -21.21318      79.04698 
1 1 1 2   -13 16 o 152.0762 52.74799 4.472586       5.843869  9.295929       6.334817  -31.92509      85.53387 
1 1 1 2   -13 17 o 123.3796 50.87079 0.3994855      6.624971  6.207952       6.012843  -25.91111      80.52486 
1 1 1 2   -13 18 o 179.9599 55.03659 18.65486       7.573880  4.940602       6.094137  85.36992       90.65625 
1 1 1 2   -12 0  o 131.2619 40.01728 4.571796       3.324474  3.263149       3.837624  10.28464       67.65872 
1 1 1 2   -12 1  o 458.6345 21.64240 44.92798       5.100399  51.72529       8.272695  -26.31070      47.87181 
1 1 1 2   -12 2  o 94.35819 40.53041 0.6451349      3.747038  -1.297748      5.084503  -4.633720      68.51664 
1 1 1 2   -12 3  o 515.7704 25.56644 59.19690       5.765967  0.000000       0.000000  ?              ?        
1 1 1 2   -12 4  o 248.3020 32.03114 13.03362       4.038504  16.31171       6.348169  -23.39935      69.81563 
1 1 1 2   -12 5  o 571.8182 19.67480 72.53695       6.570280  71.99548       7.449091  3.376831       39.92228 
1 1 1 2   -12 6  o 355.8054 24.22264 30.13879       5.146212  26.03664       5.500198  27.70374       49.79343 
1 1 1 2   -12 7  o 295.9727 27.52586 23.31861       4.815870  15.50805       5.197456  64.33217       59.45835 
1 1 1 2   -12 8  o 320.3690 37.38720 22.53283       6.813737  24.77600       7.883767  -12.49661      78.33126 
1 1 1 2   -12 9  f 300.9656 50.15095 0.000000       0.000000  21.41389       6.387745  ?              ?        
1 1 1 2   -12 10 o 105.3260 46.74974 -3.789266      6.164707  1.590119       6.026487  -24.37068      78.71701 
1 1 1 2   -12 11 o 102.7598 45.07552 -0.5604240     5.280793  -0.2842065     5.770458  -6.457451      75.63803 
1 1 1 2   -12 12 o 122.4341 49.21355 4.151731       5.715223  0.4299618      5.718590  22.46178       80.55845 
1 1 1 2   -12 13 o 109.3495 46.98897 1.001245       5.397373  0.2288775      6.152835  -2.396446      77.68143 
1 1 1 2   -12 14 o 291.2415 35.41242 22.03630       6.151587  18.80696       6.387860  29.22501       76.30619 
1 1 1 2   -12 15 o 133.2082 50.51575 0.4485460      5.623063  8.272102       5.870752  -50.73846      81.16674 
1 1 1 2   -12 16 o 294.9120 36.80066 20.88268       6.546691  22.51801       6.626456  -12.62234      80.19266 
1 1 1 2   -12 17 o 125.6196 51.13272 3.917369       6.389962  3.177957       6.136796  4.827682       81.90646 
1 1 1 2   -12 18 o 92.10573 43.39306 -2.784903      6.707123  -1.992659      6.155526  1.223724       72.04338 
1 1 1 2   -12 19 o 91.35588 45.37025 -10.32193      10.45740  -10.20694      9.424294  4.860062       76.54488 
1 1 1 2   -11 0  o 296.1700 30.17829 20.18816       5.362233  20.06172       5.578139  2.167786       63.08482 
1 1 1 2   -11 1  o 123.4347 46.33600 -4.344653      4.534847  12.26291       5.127916  -129.2343      68.78219 
1 1 1 2   -11 2  o 254.8647 46.23946 13.10031       6.454244  19.34302       7.824337  -47.18272      91.15911 
1 1 1 2   -11 3  f 500.8901 27.48786 55.81197       8.087922  56.82051       9.001357  -2.182495      56.16445 
1 1 1 2   -11 4  o 106.3533 43.70612 -0.2206021     3.839745  4.204960       6.255177  -54.12952      76.90790 
1 1 1 2   -11 5  o 472.3159 19.51743 45.39702       5.291950  54.78941       6.235529  -44.08206      39.38495 
1 1 1 2   -11 6  o 196.8909 36.54547 8.046703       4.101128  10.06239       4.529078  -21.32228      70.81406 
1 1 1 2   -11 7  o 313.4678 26.04251 26.11019       5.060384  17.96340       4.977228  60.83224       54.31624 
1 1 1 2   -11 8  o 320.7220 32.78907 22.93404       6.179951  23.76594       6.716959  -4.256653      68.12828 
1 1 1 2   -11 9  o 438.8297 31.23035 37.52586       12.62190  45.03751       6.778921  -62.11298      85.15192 
1 1 1 2   -11 10 o 435.5688 25.27179 39.26854       6.616670  45.69197       6.997111  -33.27744      51.24180 
1 1 1 2   -11 11 o 129.5224 49.18073 4.468838       5.390469  1.476610       5.506526  19.65742       80.73406 
1 1 1 2   -11 12 o 293.4338 35.12355 12.14900       5.896283  29.98500       6.716381  -137.6012      74.18580 
1 1 1 2   -11 13 o 167.2584 51.56054 9.669137       5.876420  4.290915       5.880988  42.10880       85.79388 
1 1 1 2   -11 14 o 315.8742 32.22266 23.62779       5.980116  22.99391       6.503767  8.637085       68.53168 
1 1 1 2   -11 15 o 87.78667 41.45230 -10.48779      5.968846  3.345237       5.859791  -50.48564      71.97799 
1 1 1 2   -11 16 o 272.7510 51.56755 17.18324       13.18280  20.81043       6.658581  -64.56367      104.0602 
1 1 1 2   -11 17 o 153.0599 60.62623 0.000000       0.000000  6.704480       6.045463  ?              ?        
1 1 1 2   -11 18 o 115.9658 51.61915 11.61524       10.66032  -2.276232      6.096004  66.76713       90.89652 
1 1 1 2   -11 19 o 101.3703 47.68057 -4.715401      10.21755  -0.9470990     6.420429  9.583031       79.19222 
1 1 1 2   -10 0  o 160.0758 43.85855 9.332438       4.073449  1.406452       5.048018  67.78832       71.79874 
1 1 1 2   -10 1  o 394.7501 35.56741 36.02445       6.092535  0.000000       0.000000  ?              ?        
1 1 1 2   -10 2  o 136.9668 48.39444 4.335982       4.414801  3.730509       6.356540  -7.982132      81.12052 
1 1 1 2   -10 3  f 229.4952 40.26727 12.95679       4.656805  11.51329       7.172009  19.88875       83.14732 
1 1 1 2   -10 4  o 558.4702 19.13906 74.50246       6.332086  62.92229       6.952426  49.26453       39.24184 
1 1 1 2   -10 5  o 353.3009 38.81477 26.05808       7.446480  32.97798       9.742093  -37.02628      82.08189 
1 1 1 2   -10 6  o 404.0103 33.24682 47.83654       8.888508  28.29321       7.745929  109.4638       69.05786 
1 1 1 2   -10 7  o 499.9424 27.77774 62.73098       9.642941  51.04044       7.806502  50.17502       56.58799 
1 1 1 2   -10 8  o 235.6342 39.55876 18.44037       5.622393  7.383781       5.533762  100.4625       76.31171 
1 1 1 2   -10 9  o 211.1918 39.83936 11.58502       4.971919  9.177021       5.085805  24.02631       76.88093 
1 1 1 2   -10 10 o 265.9632 33.57468 16.96633       5.410911  15.29044       5.421176  14.91429       69.59776 
1 1 1 2   -10 11 o 1053.524 21.19685 232.5791       13.32975  261.0408       14.44228  -60.19397      42.66391 
1 1 1 2   -10 12 o 263.7563 37.96569 16.48265       5.792991  15.67795       6.305533  9.014816       78.33533 
1 1 1 2   -10 13 o 292.8453 43.51188 14.38988       10.61103  22.46566       6.303773  -73.16280      95.99901 
1 1 1 2   -10 14 o 341.4401 30.25172 27.32320       6.454574  26.31000       6.233499  5.850342       63.00240 
1 1 1 2   -10 15 o 252.7728 40.28757 14.88780       6.081609  16.30086       6.129109  -12.37558      82.74063 
1 1 1 2   -10 16 o 307.4589 37.75169 26.91871       7.781170  20.33830       6.491226  38.95584       81.40785 
1 1 1 2   -10 17 o 185.4791 54.18928 5.649236       7.304837  12.61244       6.103939  -50.48480      89.62780 
1 1 1 2   -10 18 o 234.6414 43.87496 15.77874       6.156185  13.49724       6.146644  20.19290       87.38583 
1 1 1 2   -10 19 o 138.5729 52.00541 9.693213       5.955834  0.7404818      6.150566  52.58528       82.03677 
1 1 1 2   -10 20 o 94.75920 44.39470 -1.994841      7.329873  -1.708990      5.978526  7.525169       73.50465 
1 1 1 2   -9  0  o 61.55145 28.74655 -2.974548      2.624063  -0.4268006     2.808499  -19.01610      50.42004 
1 1 1 2   -9  1  o 115.9273 38.67801 2.143988       3.670417  3.452720       2.964995  -6.906601      64.51273 
1 1 1 2   -9  2  o 171.6699 30.62756 6.627813       2.935574  7.110985       3.398870  -5.175491      60.37495 
1 1 1 2   -9  3  o 73.23641 33.81982 -1.787912      3.140496  -1.943306      4.324506  -16.09151      59.33570 
1 1 1 2   -9  4  o 156.4216 42.25096 6.333879       3.638469  5.085683       5.124156  7.352783       74.53635 
1 1 1 2   -9  5  f 462.6430 23.94677 49.56787       6.707505  46.22158       6.999894  17.67282       48.78983 
1 1 1 2   -9  6  o 259.8945 31.70595 16.05487       4.588888  14.40460       5.562090  18.68471       67.55251 
1 1 1 2   -9  7  o 409.5397 24.97395 40.61150       6.536832  34.46802       6.113175  33.83136       50.61756 
1 1 1 2   -9  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -9  9  o 436.0540 39.27046 39.44239       10.69574  46.55255       10.33116  -39.78741      81.92447 
1 1 1 2   -9  10 o 115.2436 53.58638 -6.951228      9.674012  -3.399587      8.892666  -4.703537      92.07429 
1 1 1 2   -9  11 o 138.5578 48.61325 2.353876       5.065774  5.833176       5.276298  -28.65912      80.18040 
1 1 1 2   -9  12 o 183.3612 48.99167 3.258620       5.531338  13.29436       5.838171  -87.12280      81.59117 
1 1 1 2   -9  13 o 575.8844 22.01730 70.79659       7.549521  77.30224       8.191334  -24.60553      44.47908 
1 1 1 2   -9  14 o 435.6203 25.53154 44.10416       7.034589  41.43885       6.714572  13.14218       52.03165 
1 1 1 2   -9  15 f 216.4746 47.22452 10.51586       6.247807  12.80575       6.080901  -20.55684      88.06200 
1 1 1 2   -9  16 o 155.1061 64.19673 4.905503       7.127390  0.000000       0.000000  ?              ?        
1 1 1 2   -9  17 o 153.3843 51.10242 5.603486       5.728823  6.728959       5.660491  -8.100952      84.27832 
1 1 1 2   -9  18 o 113.9855 47.59271 0.1436788      5.690115  3.846788       5.532415  -18.85668      77.06484 
1 1 1 2   -9  19 o 88.47544 41.49058 -1.537359      5.791730  -3.073022      5.701555  6.260101       69.52785 
1 1 1 2   -9  20 o 112.7576 46.72961 4.604438       5.088542  0.6844476E-01  5.657187  21.33636       74.60688 
1 1 1 2   -9  21 o 95.34723 42.69324 2.046777       5.164873  -1.573449      5.235250  15.68266       69.60062 
1 1 1 2   -8  0  o 400.3094 14.92652 32.25836       3.723202  38.31664       3.677352  -34.79587      30.14018 
1 1 1 2   -8  1  o 286.6909 17.15015 16.33015       2.886284  20.48577       3.211837  -32.74023      34.63639 
1 1 1 2   -8  2  o 176.0722 27.13599 5.025255       2.623404  10.07923       3.198923  -62.24448      53.83670 
1 1 1 2   -8  3  o 423.5201 15.84097 38.60130       3.862978  41.07819       4.523540  -12.32626      32.13323 
1 1 1 2   -8  4  o 543.2046 15.99210 62.62728       4.933414  69.19519       5.982788  -25.71832      32.50603 
1 1 1 2   -8  5  o 369.6582 18.98310 32.01089       4.095236  28.39832       4.630685  24.12643       39.12915 
1 1 1 2   -8  6  o 150.4090 40.41933 6.109117       3.666342  4.570285       4.067959  14.86885       70.40929 
1 1 1 2   -8  7  o 274.2703 23.03937 15.75726       3.945870  17.85376       3.824217  -18.31659      47.41400 
1 1 1 2   -8  8  o 464.8580 22.61811 47.80036       6.578038  48.08855       6.429708  -1.681824      45.67255 
1 1 1 2   -8  9  o 144.4089 45.65545 6.196191       4.697000  3.307210       4.468843  27.62498       76.48126 
1 1 1 2   -8  10 o 249.2781 36.97216 11.44963       5.497385  17.09391       5.592008  -51.47354      75.04955 
1 1 1 2   -8  11 o 224.8131 78.55152 0.000000       0.000000  11.93670       9.534796  ?              ?        
1 1 1 2   -8  12 o 275.3968 60.24721 23.20873       9.784943  13.33497       10.24137  67.89464       110.2273 
1 1 1 2   -8  13 o 525.7620 33.85923 56.83704       10.32993  69.45605       11.78089  -51.71399      69.17986 
1 1 1 2   -8  14 o 301.8494 33.77353 13.83336       6.107096  28.40237       6.330086  -113.6351      72.71170 
1 1 1 2   -8  15 o 200.1681 48.00682 9.303889       6.219088  10.35842       5.597881  -9.485138      86.92272 
1 1 1 2   -8  16 o 176.8378 52.30069 9.531519       6.779196  6.957853       5.650789  21.62468       89.56310 
1 1 1 2   -8  17 o 234.1568 41.76414 8.911232       5.775052  18.77583       5.915075  -87.71109      80.69239 
1 1 1 2   -8  18 o 187.3653 47.85376 3.627003       5.222473  16.91462       6.025146  -110.9232      79.40989 
1 1 1 2   -8  19 o 129.5920 48.80052 2.144749       5.053299  6.743025       5.676683  -32.46634      79.11956 
1 1 1 2   -8  20 o 97.03140 42.70693 0.6351233      4.810948  0.1803169      5.177018  -0.5597076     69.95061 
1 1 1 2   -8  21 o 136.5678 47.93882 4.945854       4.910158  5.730584       5.150110  -5.859772      77.68406 
1 1 1 2   -7  0  o 312.6146 14.59611 22.71246       3.045558  20.65525       2.642519  14.61517       29.48497 
1 1 1 2   -7  1  o 720.2613 14.31147 115.2277       6.489887  113.0248       6.302749  6.854919       28.70873 
1 1 1 2   -7  2  o 451.2737 26.37239 0.000000       0.000000  45.27763       5.197494  ?              ?        
1 1 1 2   -7  3  o 760.4296 14.75144 127.8607       6.860950  126.7085       7.060137  3.647400       29.61510 
1 1 1 2   -7  4  o 294.1628 19.85350 19.29568       3.174692  19.10216       4.265236  4.049438       42.32944 
1 1 1 2   -7  5  o 208.8329 26.15024 10.23233       3.109402  9.439477       3.563974  10.69818       54.75767 
1 1 1 2   -7  6  o 445.4756 24.42423 44.52121       4.754241  0.000000       0.000000  ?              ?        
1 1 1 2   -7  7  o 240.5924 26.16676 11.85523       3.637999  14.74433       4.085661  -26.37662      54.27216 
1 1 1 2   -7  8  o 501.9873 21.42538 53.94165       6.502607  58.32476       6.821585  -19.43436      43.26157 
1 1 1 2   -7  9  o 467.5638 18.27936 49.72539       5.404123  47.00238       5.185677  13.06934       36.77638 
1 1 1 2   -7  10 o 287.0714 25.78942 19.22967       4.817702  17.73957       4.311508  10.90756       52.93366 
1 1 1 2   -7  11 f 316.0209 37.88588 22.73975       5.147076  0.000000       0.000000  ?              ?        
1 1 1 2   -7  12 o 238.4276 41.49408 13.63887       6.042027  12.90228       5.794247  6.216980       82.09633 
1 1 1 2   -7  13 o 640.7692 25.46187 89.37858       9.905540  93.55506       10.30744  -14.24872      51.42700 
1 1 1 2   -7  14 o 328.2988 64.40270 0.000000       0.000000  26.50485       8.942712  ?              ?        
1 1 1 2   -7  15 o 417.0097 44.49205 57.43623       12.64613  29.66289       10.35690  145.0532       94.58689 
1 1 1 2   -7  16 o 166.5917 63.40182 13.14524       9.296430  -0.2382072     8.852506  70.33821       102.0441 
1 1 1 2   -7  17 o 128.9538 50.53584 1.269796       6.090994  4.820364       5.697773  -18.99911      82.14043 
1 1 1 2   -7  18 f 270.0846 75.34652 23.51683       9.262494  0.000000       0.000000  ?              ?        
1 1 1 2   -7  19 o 191.7846 45.67888 10.56394       5.165287  8.802074       5.570119  17.60582       82.95331 
1 1 1 2   -7  20 o 219.4506 39.65321 13.54006       5.316534  11.49051       5.089608  17.74846       79.62705 
1 1 1 2   -7  21 o 91.24060 40.06524 -1.238403      4.417879  1.906415       4.310419  -16.03234      65.66840 
1 1 1 2   -7  22 o 60.52204 29.87218 -2.829890      4.094944  -7.477279      4.016119  15.45560       53.04165 
1 1 1 2   -6  0  o 1314.206 20.62449 384.8977       16.96235  376.3800       16.66886  14.59399       41.34680 
1 1 1 2   -6  1  o 118.8318 29.32056 2.616571       2.297396  3.742047       2.024168  -14.87370      52.14939 
1 1 1 2   -6  2  o 619.8693 12.92410 84.26115       4.940498  84.61961       4.999115  -1.285706      25.91518 
1 1 1 2   -6  3  o 395.3296 13.49533 32.24278       3.095968  37.25102       3.562087  -28.47528      27.14295 
1 1 1 2   -6  4  o 630.9504 14.41433 84.09408       5.215722  92.51884       6.192483  -29.59979      29.15483 
1 1 1 2   -6  5  o 269.1627 18.65756 15.58578       2.958457  16.66226       3.254516  -8.637299      37.88716 
1 1 1 2   -6  6  o 307.4594 19.08086 22.97259       3.572274  18.93409       3.672261  30.72821       38.99994 
1 1 1 2   -6  7  o 227.3753 26.10132 11.92883       3.708709  11.55589       3.527680  3.093643       54.18245 
1 1 1 2   -6  8  o 371.8408 21.66584 29.90923       5.387962  31.64338       4.645743  -13.05640      44.76670 
1 1 1 2   -6  9  o 256.5301 28.13713 13.67831       4.421696  16.07120       4.386706  -22.25763      58.51768 
1 1 1 2   -6  10 o 277.3507 33.37899 0.000000       0.000000  17.42749       3.979199  ?              ?        
1 1 1 2   -6  11 o 607.5934 19.29780 85.07221       6.367382  74.89349       8.691770  41.65521       41.67119 
1 1 1 2   -6  12 o 446.3948 19.90309 46.48837       5.489862  41.70138       5.505101  24.69852       40.17135 
1 1 1 2   -6  13 o 516.6101 19.80352 59.86631       6.310750  58.36189       6.358644  6.772949       39.89610 
1 1 1 2   -6  14 o 527.3371 26.02971 60.31570       9.922042  62.91990       7.537976  -16.48224      55.25198 
1 1 1 2   -6  15 f 160.7228 61.82406 0.2478106      8.634233  9.357365       8.730025  -48.84340      100.6797 
1 1 1 2   -6  16 o 171.6398 66.76942 0.000000       0.000000  5.931510       7.220184  ?              ?        
1 1 1 2   -6  17 o 275.6812 65.16798 0.000000       0.000000  20.51217       7.755078  ?              ?        
1 1 1 2   -6  18 o 215.5487 53.97996 7.414259       6.344837  21.50460       8.534665  -99.59395      95.36922 
1 1 1 2   -6  19 o 368.2716 32.27169 33.24720       7.146554  31.08388       7.459335  17.14365       68.93999 
1 1 1 2   -6  20 o 119.5061 45.25428 4.402512       5.174994  2.599650       4.189484  17.67174       74.12598 
1 1 1 2   -6  21 o 125.0668 44.80470 4.958465       4.799900  3.458190       4.101313  13.65367       73.20452 
1 1 1 2   -6  22 o 126.6064 44.57062 6.053302       4.368182  2.822344       4.325371  25.09777       72.06565 
1 1 1 2   -6  23 o 111.1811 45.50617 -1.435846      5.137438  6.640865       4.856872  -44.47553      72.02617 
1 1 1 2   -5  0  o 855.8455 14.33832 156.4108       7.458274  165.9636       7.776059  -25.30774      28.70959 
1 1 1 2   -5  1  o 333.8742 11.56417 23.11623       2.424768  25.83109       2.359428  -18.67740      23.27757 
1 1 1 2   -5  2  o 197.9068 17.82169 8.485753       2.156143  8.892097       2.172916  -4.759308      36.34886 
1 1 1 2   -5  3  o 809.8528 16.29138 144.9908       7.125155  142.8538       9.920423  8.225647       34.59095 
1 1 1 2   -5  4  o 788.2689 14.12591 137.9648       6.855402  135.2122       6.960350  8.292908       28.31264 
1 1 1 2   -5  5  o 417.7529 13.75093 37.14965       3.389571  39.98253       3.755665  -15.16531      27.65456 
1 1 1 2   -5  6  o 398.9786 14.98560 36.70454       3.641225  33.40117       3.766480  19.16064       30.21735 
1 1 1 2   -5  7  o 763.1372 15.13101 128.6069       7.139280  128.3762       7.186690  0.7570801      30.39680 
1 1 1 2   -5  8  o 89.00019 37.92676 -1.087766      3.717385  1.417024       3.647310  -16.43699      63.21828 
1 1 1 2   -5  9  o 528.5851 24.10503 0.000000       0.000000  62.57468       5.574159  ?              ?        
1 1 1 2   -5  10 f 206.3609 47.02272 0.000000       0.000000  10.16993       4.161147  ?              ?        
1 1 1 2   -5  11 o 372.5967 20.48094 32.74315       4.723840  28.76704       4.707287  24.59476       41.43441 
1 1 1 2   -5  12 o 205.2886 38.48629 5.876344       4.713630  13.64551       4.728432  -77.70592      72.12212 
1 1 1 2   -5  13 o 413.0624 25.42040 38.58603       8.381795  37.79044       5.474432  -2.188538      56.71392 
1 1 1 2   -5  14 o 491.5328 24.17769 47.44836       10.36302  55.92994       6.006632  -51.66046      60.37259 
1 1 1 2   -5  15 o 697.7089 19.03116 112.5728       8.595879  103.4800       7.905517  28.85876       38.29256 
1 1 1 2   -5  16 o 185.6710 50.51187 12.06936       6.232793  5.256772       5.739715  58.33101       86.49109 
1 1 1 2   -5  17 f 328.5856 40.81545 0.000000       0.000000  25.50867       5.756244  ?              ?        
1 1 1 2   -5  18 o 169.8323 61.15932 16.58310       9.830139  2.237072       7.218635  88.24066       101.3798 
1 1 1 2   -5  19 f 130.7857 56.46113 2.566029       9.861069  1.930289       7.384040  14.16653       92.33694 
1 1 1 2   -5  20 o 130.0035 43.74034 3.951584       4.142813  4.583786       4.198935  -5.661606      72.21545 
1 1 1 2   -5  21 o 103.6835 42.89974 0.4877654      4.425958  3.133049       4.576269  -17.34343      69.67255 
1 1 1 2   -5  22 o 143.6793 47.20240 5.549045       4.893515  6.136341       4.833876  -4.570206      77.65794 
1 1 1 2   -5  23 o 64.24878 31.61214 -6.563410      4.866291  -4.194289      4.081335  1.251381       55.21595 
1 1 1 2   -4  0  o 384.0139 9.906150 35.38314       2.457677  29.84980       2.269172  32.73694       19.84620 
1 1 1 2   -4  1  o 319.7645 10.19826 23.31884       2.053021  21.67633       1.989103  11.69986       20.44504 
1 1 1 2   -4  2  o 573.5771 11.20265 69.64027       3.993772  74.82987       3.978123  -20.67664      22.46803 
1 1 1 2   -4  3  o 555.8514 11.43140 67.60065       3.977838  68.09452       3.906370  -2.064941      22.91769 
1 1 1 2   -4  4  o 467.2204 11.36438 47.66040       3.190887  48.26175       3.407130  -2.819702      22.83274 
1 1 1 2   -4  5  o 798.0079 14.10458 139.1602       6.880264  140.8829       7.088511  -4.557678      28.26695 
1 1 1 2   -4  6  o 509.4169 13.22007 56.74566       4.021892  57.50527       4.344865  -3.154572      26.57295 
1 1 1 2   -4  7  o 581.6413 13.63371 72.01071       4.841331  77.08293       5.000738  -19.78461      27.37042 
1 1 1 2   -4  8  o 197.9503 38.65265 1.133400       6.919785  11.48420       3.660480  -77.20108      73.01103 
1 1 1 2   -4  9  o 191.1188 35.42183 5.980276       4.266931  10.71433       3.854154  -51.99895      67.98186 
1 1 1 2   -4  10 o 365.4994 21.23300 26.20797       4.775910  33.46524       4.811011  -45.99423      43.40876 
1 1 1 2   -4  11 o 243.4385 31.30282 13.56240       4.462264  13.34347       4.790733  3.201706       64.79267 
1 1 1 2   -4  12 o 311.5644 33.77502 0.000000       0.000000  21.91022       4.542037  ?              ?        
1 1 1 2   -4  13 o 296.7522 28.64271 23.11158       5.687238  17.33721       4.831167  43.05081       58.90266 
1 1 1 2   -4  14 o 468.0399 20.34801 50.24780       6.203836  47.17356       5.625724  14.09174       41.11837 
1 1 1 2   -4  15 o 331.6385 28.87383 26.86220       6.075518  22.83438       5.703742  27.39865       59.29946 
1 1 1 2   -4  16 o 582.3171 27.34640 75.84037       6.965402  0.000000       0.000000  ?              ?        
1 1 1 2   -4  17 o 305.4389 26.20566 20.08078       4.955510  22.01963       4.879860  -15.26218      54.06601 
1 1 1 2   -4  18 o 220.5872 30.67090 14.10825       4.087666  8.522616       4.079306  58.74094       63.51670 
1 1 1 2   -4  19 o 111.1096 41.33818 4.373166       3.837883  0.7860116      3.775784  30.34056       67.33654 
1 1 1 2   -4  20 o 297.9037 31.90776 21.93382       9.426391  20.97619       4.559454  -39.27936      85.55376 
1 1 1 2   -4  21 f 120.0273 53.83113 -2.719522      9.130351  3.421951       7.666335  -13.56498      86.73177 
1 1 1 2   -4  22 o 123.7143 54.79716 -2.357272      9.275013  5.682298       7.625415  -20.72765      86.62377 
1 1 1 2   -4  23 o 136.1315 43.63041 8.563389       4.191107  2.047635       4.148854  55.80750       70.20472 
1 1 1 2   -4  24 o 76.14336 35.18994 0.2524530      4.069672  -2.156795      3.753361  14.41987       58.90038 
1 1 1 2   -3  0  o 978.4008 15.29952 202.4923       9.023113  219.4051       9.572461  -39.13904      30.64148 
1 1 1 2   -3  1  o 354.0640 9.134321 27.30805       1.956370  27.78675       2.056420  -3.034332      18.31377 
1 1 1 2   -3  2  o 742.8349 12.33001 120.3572       5.652852  122.0725       5.710827  -5.244812      24.67916 
1 1 1 2   -3  3  f 518.3568 10.41794 57.68049       3.377944  60.26352       3.322467  -11.40930      20.89273 
1 1 1 2   -3  4  o 113.0051 23.27761 4.216305       1.544689  1.505057       1.612294  46.14492       41.94992 
1 1 1 2   -3  5  f 348.2395 13.69041 27.57530       2.462504  24.43265       3.932813  22.38593       31.59708 
1 1 1 2   -3  6  o 356.4282 12.73964 28.86493       2.765948  26.97596       2.860854  12.22144       25.62431 
1 1 1 2   -3  7  o 863.4612 14.97390 162.7196       7.988978  165.4466       8.052123  -7.165955      29.99900 
1 1 1 2   -3  8  o 915.1387 16.06825 189.6207       9.285810  180.1047       8.965835  23.69153       32.24561 
1 1 1 2   -3  9  o 315.7032 20.13914 25.78825       4.157096  19.34587       3.725197  45.91663       40.90438 
1 1 1 2   -3  10 o 309.1870 35.48169 0.000000       0.000000  22.12858       4.724919  ?              ?        
1 1 1 2   -3  11 o 721.7003 22.52531 115.9359       7.121916  0.000000       0.000000  ?              ?        
1 1 1 2   -3  12 o 800.4804 16.30655 146.7663       8.375015  136.3257       7.845116  29.26526       32.75338 
1 1 1 2   -3  13 o 322.2213 23.54556 21.34282       4.809860  24.65742       4.548697  -24.52182      48.31848 
1 1 1 2   -3  14 o 1038.262 18.58818 236.0138       11.92955  239.9649       12.01456  -8.610596      37.34190 
1 1 1 2   -3  15 o 675.9814 16.39249 102.2295       6.979223  99.51879       6.772986  8.910278       32.96027 
1 1 1 2   -3  16 o 468.8823 18.39845 49.76664       5.472780  47.60775       5.218187  10.17917       37.04757 
1 1 1 2   -3  17 o 449.2169 17.80095 43.09732       4.949427  46.35130       4.951706  -16.65533      35.89375 
1 1 1 2   -3  18 o 141.1828 39.28385 4.316970       3.567563  5.244185       3.564036  -10.06461      67.93372 
1 1 1 2   -3  19 o 383.6404 19.58850 34.86864       4.729350  31.29789       4.567366  20.95044       39.80074 
1 1 1 2   -3  20 o 172.8485 37.83524 7.501032       3.820164  7.465475       4.080559  1.301407       70.75108 
1 1 1 2   -3  21 o 212.9219 30.81991 12.95653       4.104843  9.143758       3.815836  39.13383       64.07062 
1 1 1 2   -3  22 o 90.88974 37.27411 0.4034058      3.509588  1.993639       3.222821  -9.059402      60.70052 
1 1 1 2   -3  23 o 200.1681 40.02967 19.47038       9.701180  9.456712       3.620196  22.90718       90.28799 
1 1 1 2   -3  24 o 131.5083 56.08125 9.664824       9.161454  2.106780       7.279874  29.57433       88.48476 
1 1 1 2   -2  0  o 92.59190 15.70823 2.720639       0.9115883 1.281651       0.8336591 33.47921       30.30244 
1 1 1 2   -2  1  o 377.9696 9.229400 31.15462       1.875267  31.76601       2.646804  -3.277679      19.56667 
1 1 1 2   -2  2  o 904.3711 14.12243 179.0021       7.897677  180.4843       7.947932  -3.716919      28.27350 
1 1 1 2   -2  3  o 431.3596 8.768757 41.17677       2.375504  40.51938       2.318254  3.454712       17.57229 
1 1 1 2   -2  4  o 576.7928 10.44283 78.33218       3.967888  68.83225       3.541226  37.30090       20.94651 
1 1 1 2   -2  5  o 772.2774 12.68410 132.0531       6.067219  129.9684       6.085706  6.166870       25.39022 
1 1 1 2   -2  6  o 626.9934 16.40397 86.52802       4.507545  0.000000       0.000000  ?              ?        
1 1 1 2   -2  7  o 409.9590 12.00754 37.23010       3.077347  36.69810       3.023952  2.928436       24.07563 
1 1 1 2   -2  8  o 133.5412 34.22380 5.370677       3.030633  3.164776       2.694483  29.41845       60.21358 
1 1 1 2   -2  9  o 167.3254 33.42771 5.949350       3.407210  7.049612       3.292087  -13.38847      63.49901 
1 1 1 2   -2  10 o 155.5688 40.19698 4.084721       3.990172  7.373222       3.828249  -34.38789      70.02554 
1 1 1 2   -2  11 o 155.8094 43.53767 5.653491       4.237666  6.048738       4.515234  -4.802505      75.35593 
1 1 1 2   -2  12 o 227.0612 32.76118 12.21223       4.098074  11.18650       4.996598  13.05898       68.15305 
1 1 1 2   -2  13 o 458.5233 16.97342 46.27321       4.936719  46.49935       4.710143  -1.397369      34.15686 
1 1 1 2   -2  14 o 1107.505 18.71839 272.7395       12.95671  268.5963       12.76480  8.353394       37.55177 
1 1 1 2   -2  15 o 1002.477 17.62194 220.2429       10.89200  223.6054       11.02590  -7.818970      35.38424 
1 1 1 2   -2  16 o 467.4193 16.09391 53.27698       4.802214  43.77478       4.528737  46.16153       32.37895 
1 1 1 2   -2  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -2  18 o 349.4282 20.06833 26.84242       4.290178  27.64344       4.374380  -5.071716      40.68382 
1 1 1 2   -2  19 o 143.1978 38.68002 1.127678       3.465416  9.078128       3.569333  -84.74629      62.23885 
1 1 1 2   -2  20 o 341.5683 27.03326 0.000000       0.000000  26.94460       4.017203  ?              ?        
1 1 1 2   -2  21 o 252.3135 23.20155 13.22099       3.626583  16.08045       3.555994  -27.71387      48.95892 
1 1 1 2   -2  22 o 92.34863 36.74469 -1.167402      3.287809  3.798555       3.035576  -37.64473      58.88543 
1 1 1 2   -2  23 o 128.4457 39.23545 6.585618       3.618676  2.715362       3.240307  39.39651       65.48782 
1 1 1 2   -2  24 o 152.5045 36.01324 5.704492       3.418269  6.711292       3.289604  -12.34354      65.68376 
1 1 1 2   -2  25 o 92.05258 40.09576 -5.894241      9.072859  1.902785       3.221133  6.978752       67.76250 
1 1 1 2   -1  0  o 187.9755 7.371013 7.580082       0.8610837 7.948525       0.8546161 -4.494186      14.79499 
1 1 1 2   -1  1  o 319.6911 6.843694 22.42269       1.355402  22.42801       1.358964  -0.3640747E-01 13.71287 
1 1 1 2   -1  2  o 658.9330 10.51220 95.13183       4.294992  95.53308       4.298731  -1.387756      21.03621 
1 1 1 2   -1  3  o 497.3585 8.565103 53.66561       2.624098  54.93528       2.661337  -5.811401      17.13660 
1 1 1 2   -1  4  o 293.4263 7.809222 18.44090       1.461917  19.32504       1.381786  -6.933075      15.69363 
1 1 1 2   -1  5  o 631.5836 10.54791 87.29690       4.109091  87.87481       4.156327  -2.071106      21.10831 
1 1 1 2   -1  6  o 290.1263 11.09002 17.36921       1.851355  20.07975       2.171040  -21.02988      22.33669 
1 1 1 2   -1  7  o 707.1469 12.42843 111.5123       5.508885  108.2877       5.396512  10.57166       24.89318 
1 1 1 2   -1  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -1  9  o 226.0024 22.48575 11.64614       3.287424  11.24578       2.959531  3.160370       46.40984 
1 1 1 2   -1  10 o 268.8820 22.41600 16.60717       3.638132  15.75926       3.775380  7.851563       45.99507 
1 1 1 2   -1  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   -1  12 o 367.2929 18.36259 31.83865       3.470119  25.03247       5.594866  49.63110       44.86320 
1 1 1 2   -1  13 o 364.7217 15.32106 30.54603       3.436329  28.12894       3.481278  15.27826       30.85896 
1 1 1 2   -1  14 o 629.7924 15.49981 91.00529       5.546237  81.92805       6.736581  34.34943       32.11155 
1 1 1 2   -1  15 o 496.0748 15.80010 54.53877       4.367685  53.90041       5.555667  4.451599       32.74350 
1 1 1 2   -1  16 o 644.4694 16.49852 88.22758       5.721411  98.67459       8.032215  -33.47150      34.53100 
1 1 1 2   -1  17 o 501.3586 16.73837 55.32833       4.735218  55.84683       5.830931  -0.7729797     34.38052 
1 1 1 2   -1  18 f 329.2346 18.91212 26.23534       3.681226  21.55669       4.035525  33.97824       39.08547 
1 1 1 2   -1  19 o 285.0961 20.34028 19.12411       3.430308  17.16508       3.736421  17.24606       41.99816 
1 1 1 2   -1  20 o 76.34716 33.46007 0.1492401      2.930270  -0.6987773     3.140213  2.979248       56.07278 
1 1 1 2   -1  21 o 236.5824 23.91698 12.41755       3.215778  13.72835       3.774661  -8.657043      50.61922 
1 1 1 2   -1  22 o 188.7136 43.19406 10.41141       8.460938  9.252880       3.841686  -8.494812      85.27332 
1 1 1 2   -1  23 o 165.5079 34.23541 5.853213       3.538208  8.027780       3.274719  -27.38139      64.86230 
1 1 1 2   -1  24 o 148.0998 36.82677 4.365365       3.577668  7.073052       3.193018  -31.51142      64.98531 
1 1 1 2   -1  25 o 86.69693 39.56819 -0.2700324     3.341361  0.000000       0.000000  ?              ?        
1 1 1 2   0   0  o 686.5834 10.79811 105.9502       4.677311  101.2221       4.524372  15.65015       21.61020 
1 1 1 2   0   1  o 299.9092 6.141778 18.44373       1.100286  21.24409       1.190240  -21.23459      12.30447 
1 1 1 2   0   2  o 416.2462 7.121781 37.39278       1.822741  38.66695       1.855470  -6.972107      14.24724 
1 1 1 2   0   3  o 519.4521 8.362068 57.99585       2.656234  60.51768       2.734434  -11.04773      16.73056 
1 1 1 2   0   4  o 611.2121 13.61892 82.08586       3.651201  0.000000       0.000000  ?              ?        
1 1 1 2   0   5  o 1229.421 21.29766 342.4055       20.30817  328.5898       13.92600  20.38110       45.54233 
1 1 1 2   0   6  o 752.0478 13.77749 124.1398       7.716455  124.3518       5.623744  -1.988037      29.02517 
1 1 1 2   0   7  o 789.2288 14.57819 135.9953       8.532312  137.4236       6.258942  -5.733643      30.70092 
1 1 1 2   0   8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   0   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   0   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   0   11 o 97.99538 35.47189 2.500154       2.806859  1.290753       2.739066  13.25637       58.53828 
1 1 1 2   0   12 o 80.06277 34.66834 -0.1480380     2.241874  0.000000       0.000000  ?              ?        
1 1 1 2   0   13 o 732.9727 13.79467 118.0253       6.069314  118.6768       6.496753  -1.569580      27.74340 
1 1 1 2   0   14 o 88.36292 33.09620 2.179171       2.553869  0.5907455      2.354409  19.79722       54.74412 
1 1 1 2   0   15 o 398.7131 13.29228 35.10817       3.277412  34.92797       3.288582  1.047058       26.68263 
1 1 1 2   0   16 o 632.2424 13.49778 89.00286       5.347291  87.12990       5.241760  6.655823       27.09942 
1 1 1 2   0   17 o 262.0383 19.54531 14.54345       3.194552  15.96705       3.115265  -12.84457      39.85352 
1 1 1 2   0   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   0   19 o 295.8285 23.21571 21.37122       7.138810  19.35165       3.290533  -2.077026      63.64997 
1 1 1 2   0   20 o 252.3931 27.96437 0.000000       0.000000  14.71651       3.043998  ?              ?        
1 1 1 2   0   21 o 151.2545 32.70496 6.126688       3.072209  5.126101       2.893941  12.28554       61.15925 
1 1 1 2   0   22 o 142.5875 34.35268 5.006939       2.997494  5.191275       3.007156  -2.258057      62.16401 
1 1 1 2   0   23 o 74.72625 32.80602 -0.9342420     2.865469  1.000942       2.985838  -14.77303      54.52946 
1 1 1 2   0   24 f 131.9600 36.59156 3.625381       3.010433  5.816319       3.197220  -24.38918      63.03965 
1 1 1 2   0   25 o 142.1795 36.46116 8.808291       3.248097  2.327067       3.213897  70.89310       60.65752 
1 1 1 2   1   0  o 598.7939 9.736003 80.70259       3.681153  76.85631       3.554914  14.60583       19.48244 
1 1 1 2   1   1  o 257.9799 6.142025 14.45391       0.9775115 14.75321       0.9883989 -2.644440      12.31107 
1 1 1 2   1   2  o 873.5352 13.22321 169.7492       7.231937  165.6265       7.100449  10.71094       26.47045 
1 1 1 2   1   3  o 246.8352 5.590723 13.66869       0.8651124 13.07702       0.8472371 5.464645       11.20353 
1 1 1 2   1   4  o 1058.626 22.33962 258.2453       15.15514  237.1481       14.22891  44.81934       44.87360 
1 1 1 2   1   5  o 1079.392 32.47427 258.4867       15.35768  0.000000       0.000000  ?              ?        
1 1 1 2   1   6  o 327.7541 14.95073 23.66199       2.143713  0.000000       0.000000  ?              ?        
1 1 1 2   1   7  o 1339.462 40.59868 400.6511       23.82549  0.000000       0.000000  ?              ?        
1 1 1 2   1   8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   1   9  o 332.1755 9.724215 25.05480       2.007469  23.46696       1.995721  10.92093       19.50016 
1 1 1 2   1   10 o 201.6948 14.39638 9.407331       1.817266  8.635820       1.762714  8.734039       29.16750 
1 1 1 2   1   11 o 364.7697 11.17756 26.04387       2.552933  32.48322       2.500306  -40.61792      22.64345 
1 1 1 2   1   12 o 399.1508 16.60374 35.35391       2.900647  0.000000       0.000000  ?              ?        
1 1 1 2   1   13 o 335.2161 12.27944 27.37553       2.599369  22.36990       2.501622  34.06882       24.72173 
1 1 1 2   1   14 o 153.3657 30.23915 0.9518176      4.925854  6.262898       2.138861  -39.02177      61.11175 
1 1 1 2   1   15 o 262.6454 15.52801 14.02028       2.571598  16.37703       2.468752  -20.91992      31.58642 
1 1 1 2   1   16 o 633.7609 18.90250 88.87564       5.248804  0.000000       0.000000  ?              ?        
1 1 1 2   1   17 o 299.7080 22.06124 0.000000       0.000000  20.04258       2.879885  ?              ?        
1 1 1 2   1   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   1   19 o 194.3811 23.07119 8.414920       2.828795  8.678086       2.636719  -4.065475      47.93169 
1 1 1 2   1   20 o 217.7739 20.45603 12.91534       2.905502  8.959507       2.584652  41.03586       42.34489 
1 1 1 2   1   21 o 81.26105 33.34139 1.043462       2.716291  0.4307484      2.659948  6.024910       55.06000 
1 1 1 2   1   22 o 148.6130 31.13299 5.678076       2.897483  5.212931       2.672213  5.293152       58.97046 
1 1 1 2   1   23 o 108.0646 41.06332 0.000000       0.000000  2.684855       2.686593  ?              ?        
1 1 1 2   1   24 o 169.2388 29.78633 8.919132       3.205853  5.806966       2.851044  36.05278       59.44142 
1 1 1 2   1   25 o 50.53547 24.92335 -3.566115      2.913294  -3.713696      2.705355  3.546791       44.08667 
1 1 1 2   1   26 o 138.4585 36.26845 6.215679       3.166762  4.539504       3.136671  18.65798       63.62314 
1 1 1 2   2   0  o 454.7755 8.525673 45.90712       2.422471  44.89236       2.388193  5.079834       17.07885 
1 1 1 2   2   1  o 302.9252 7.208096 19.76281       1.341919  20.52331       1.367399  -5.721527      14.44892 
1 1 1 2   2   2  o 111.4772 10.33211 2.950040       0.7095081 2.557029       0.7032383 8.219406       21.12280 
1 1 1 2   2   3  o 586.4944 9.344556 76.48656       3.427716  74.55850       3.372332  7.480408       18.69757 
1 1 1 2   2   4  o 211.5727 6.370571 9.893444       0.8211942 9.762536       0.8498207 1.433655       12.77535 
1 1 1 2   2   5  o 204.4547 7.560358 9.229043       0.9205002 9.134683       0.9986939 1.122681       15.22103 
1 1 1 2   2   6  o 338.1517 10.79561 25.13366       1.599201  0.000000       0.000000  ?              ?        
1 1 1 2   2   7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   2   8  o 389.1569 12.47593 33.30985       2.126854  0.000000       0.000000  ?              ?        
1 1 1 2   2   9  o 731.9398 15.80529 125.3559       7.517294  111.7224       6.877672  41.96301       31.73798 
1 1 1 2   2   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   2   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   2   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   2   13 o 131.3879 29.04344 4.030445       1.629237  0.000000       0.000000  ?              ?        
1 1 1 2   2   14 o 283.7754 12.01839 18.54291       2.187983  17.04965       2.041300  11.86652       24.16073 
1 1 1 2   2   15 o 137.7829 23.93340 5.726621       2.032700  3.078801       1.915320  41.24664       46.27637 
1 1 1 2   2   16 o 340.5092 12.76386 22.91428       2.665465  28.29777       2.717845  -36.18729      25.74065 
1 1 1 2   2   17 o 385.6204 12.82372 34.54910       3.128036  31.16789       3.002376  19.90302       25.75629 
1 1 1 2   2   18 o 494.9143 14.59656 52.74330       4.163212  55.83241       4.872715  -13.30170      29.56738 
1 1 1 2   2   19 o 250.7056 18.11853 15.13521       2.932127  13.06291       2.682053  18.42374       36.84137 
1 1 1 2   2   20 o 428.0976 14.22090 39.17356       3.782025  42.04870       3.760528  -15.48514      28.66255 
1 1 1 2   2   21 o 100.7376 34.36381 2.643461       2.632248  1.950529       2.520827  8.726830       56.97477 
1 1 1 2   2   22 f 163.0546 27.58000 7.498721       2.812365  5.429608       2.582766  26.38930       55.18909 
1 1 1 2   2   23 o 177.3270 26.29458 8.442818       2.820729  6.626103       2.789337  23.44377       54.42703 
1 1 1 2   2   24 o 91.47062 35.50691 2.503035       2.909648  1.070475       2.856672  12.89334       57.62736 
1 1 1 2   2   25 o 149.8206 31.00171 4.679149       2.940311  6.681018       2.653934  -28.07359      58.60386 
1 1 1 2   2   26 o 80.78610 33.32101 0.5361391      2.884469  1.600573       2.551705  -5.451302      53.90014 
1 1 1 2   3   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   3   1  o 298.1870 14.06741 0.000000       0.000000  19.58299       1.834755  ?              ?        
1 1 1 2   3   2  o 1638.984 24.60516 587.9145       24.85173  597.7874       25.18349  -13.50549      49.36379 
1 1 1 2   3   3  o 237.1314 11.40431 12.69979       1.691208  12.06869       1.654647  6.068359       22.92236 
1 1 1 2   3   4  o 737.8223 11.89566 121.1370       5.498677  118.0554       5.391856  9.485596       23.80923 
1 1 1 2   3   5  o 513.8035 13.81558 0.000000       0.000000  58.05429       3.110808  ?              ?        
1 1 1 2   3   6  o 647.0988 14.97314 0.000000       0.000000  92.05031       4.249960  ?              ?        
1 1 1 2   3   7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   3   8  o 337.2513 10.07035 35.12059       2.502508  19.46025       1.850766  102.2478       20.18538 
1 1 1 2   3   9  o 694.1614 15.07316 112.3015       6.763588  100.6855       6.248104  37.77740       30.25679 
1 1 1 2   3   10 o 465.9740 7.869303 45.10976       2.193933  50.66749       2.364982  -27.07275      15.75078 
1 1 1 2   3   11 o 359.9058 10.43637 0.000000       0.000000  28.52526       1.645814  ?              ?        
1 1 1 2   3   12 o 124.4815 14.40837 3.227319       1.075516  3.728338       1.109419  -9.315918      29.67382 
1 1 1 2   3   13 o 541.1921 9.580892 66.47075       3.258373  62.51293       3.176059  16.78021       19.20392 
1 1 1 2   3   14 o 395.3760 12.75118 34.44489       2.208481  0.000000       0.000000  ?              ?        
1 1 1 2   3   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   3   16 o 286.9237 11.93671 17.89624       2.123466  18.38293       2.116374  -3.899628      23.98914 
1 1 1 2   3   17 o 503.8137 11.17693 57.60351       3.539263  54.19314       3.448663  15.37659       22.43064 
1 1 1 2   3   18 f 293.8163 14.12721 18.15699       2.577824  19.97171       2.556875  -14.24515      28.49817 
1 1 1 2   3   19 o 297.9885 14.53242 19.93991       2.722637  19.37999       2.635859  4.146454       29.29931 
1 1 1 2   3   20 o 156.3951 25.13040 3.827433       2.444031  7.214497       2.275867  -48.20316      50.08799 
1 1 1 2   3   21 o 282.8524 16.62074 17.44146       2.827178  18.43128       2.986158  -7.460846      33.78146 
1 1 1 2   3   22 o 161.1482 28.35434 6.352319       2.710904  6.133966       2.751445  3.201157       56.42331 
1 1 1 2   3   23 o 70.69521 30.91495 -0.3732691     2.603081  0.2759362      2.545588  -4.062202      51.44501 
1 1 1 2   3   24 o 97.16814 34.01342 1.363757       2.565345  3.203601       2.494040  -19.10571      55.44941 
1 1 1 2   3   25 o 88.91784 34.13731 2.441345       2.819909  1.205490       2.496422  13.82131       55.64553 
1 1 1 2   3   26 o 89.59690 34.27307 3.103940       2.694659  0.7846933      2.622779  21.55112       55.23686 
1 1 1 2   4   0  o 674.8948 12.67257 102.3463       5.367898  97.87069       5.245008  15.08234       25.39731 
1 1 1 2   4   1  o 222.7641 17.46801 10.76857       2.367994  11.20826       2.421972  -4.485367      35.44444 
1 1 1 2   4   2  o 1260.591 19.33894 342.8975       14.90153  357.2284       15.35357  -25.67188      38.75395 
1 1 1 2   4   3  o 1036.753 16.22174 235.8141       10.40566  236.9395       10.45958  -2.448975      32.48776 
1 1 1 2   4   4  o 396.8411 11.65531 35.81480       2.912233  33.49232       2.822024  13.31882       23.36322 
1 1 1 2   4   5  o 143.6402 24.95503 3.001760       2.124056  6.426614       2.162301  -50.87123      47.93102 
1 1 1 2   4   6  o 182.3552 15.58500 8.337232       1.712523  6.311928       1.781672  26.19162       32.36334 
1 1 1 2   4   7  o 638.8729 22.51076 90.11743       6.298350  0.000000       0.000000  ?              ?        
1 1 1 2   4   8  o 822.2929 18.17510 0.000000       0.000000  148.8990       6.555483  ?              ?        
1 1 1 2   4   9  o 1046.684 22.52976 242.1104       10.34364  0.000000       0.000000  ?              ?        
1 1 1 2   4   10 o 316.2515 7.709533 22.65909       1.492755  21.22609       1.532916  10.39178       15.48867 
1 1 1 2   4   11 o 410.1349 8.163536 32.92696       1.977677  41.92955       2.192797  -49.72800      16.36907 
1 1 1 2   4   12 o 220.7845 10.63836 10.05563       1.683028  11.18166       1.296772  -12.65390      22.55582 
1 1 1 2   4   13 o 203.1415 10.00844 9.500597       1.234504  8.680436       1.281427  9.386078       20.22022 
1 1 1 2   4   14 o 691.0364 11.27139 106.8747       4.885860  103.3158       4.779192  11.66290       22.57820 
1 1 1 2   4   15 o 546.5586 9.932058 64.25741       3.333536  67.07622       3.402278  -11.72949      19.90593 
1 1 1 2   4   16 o 336.5039 9.442112 24.12452       1.927107  25.74698       2.013752  -10.93906      18.92974 
1 1 1 2   4   17 o 386.5504 9.750314 31.26470       2.295638  34.60399       2.378811  -19.65201      19.55020 
1 1 1 2   4   18 o 265.4130 12.48990 16.18787       2.084397  14.94669       2.018364  10.63043       25.13642 
1 1 1 2   4   19 o 427.2607 11.91712 38.30871       3.130929  42.23789       3.180480  -20.98215      23.93390 
1 1 1 2   4   20 f 652.1174 12.73843 94.30304       5.170851  93.55566       5.135284  2.557556       25.60262 
1 1 1 2   4   21 o 87.79311 30.72937 1.143087       2.101903  2.098098       2.028347  -10.88334      50.69549 
1 1 1 2   4   22 o 439.7160 12.94239 44.66266       3.608928  41.55780       3.449265  15.63596       26.11298 
1 1 1 2   4   23 o 344.4850 14.58640 30.11723       3.112075  23.19393       3.107792  46.64822       29.89866 
1 1 1 2   4   24 o 181.2030 24.42587 7.653547       2.490576  8.174151       2.909390  -1.900253      51.96866 
1 1 1 2   4   25 o 97.85146 33.88264 2.452643       2.493192  2.466532       2.518909  -0.2678528     55.53463 
1 1 1 2   4   26 o 53.19324 25.64231 -2.384113      2.804762  -1.911083      2.310800  4.779106       44.39762 
1 1 1 2   4   27 o 115.0368 53.59871 0.000000       0.000000  4.192036       6.602335  ?              ?        
1 1 1 2   5   0  o 825.7504 14.87052 150.9946       7.630552  148.7704       7.603777  6.138855       29.80878 
1 1 1 2   5   1  o 769.8070 14.05325 134.0374       6.794131  126.6028       6.630483  21.96832       28.16829 
1 1 1 2   5   2  o 431.0853 13.58094 43.33981       3.677212  38.53851       3.579104  25.40332       27.25086 
1 1 1 2   5   3  o 420.6585 14.15583 37.04726       3.652474  40.89607       3.725831  -20.88327      28.41253 
1 1 1 2   5   4  o 427.8412 12.97697 42.28046       3.508770  38.37725       3.375293  20.76273       26.02123 
1 1 1 2   5   5  o 1458.907 22.35993 487.0792       20.81147  453.3046       19.70488  52.02808       44.84688 
1 1 1 2   5   6  o 131.1961 25.69989 3.902158       1.952158  3.964676       2.088096  -1.171326      49.01430 
1 1 1 2   5   7  o 284.5703 15.46448 0.000000       0.000000  17.86094       1.923053  ?              ?        
1 1 1 2   5   8  o 115.6609 28.38022 0.000000       0.000000  3.081568       1.428828  ?              ?        
1 1 1 2   5   9  o 435.7312 10.65292 40.66580       2.468919  43.94623       3.599746  -16.23517      22.62447 
1 1 1 2   5   10 o 98.25925 23.00831 1.851808       1.197545  2.959022       1.674567  -22.52789      42.40134 
1 1 1 2   5   11 o 517.9647 13.80240 59.22969       3.133061  0.000000       0.000000  ?              ?        
1 1 1 2   5   12 o 387.3547 8.790050 34.64251       2.187885  31.58212       2.043699  17.85397       17.64365 
1 1 1 2   5   13 o 105.8272 19.43668 2.494245       1.231560  2.639526       1.226357  -2.925865      37.71660 
1 1 1 2   5   14 o 741.8365 12.17805 116.4426       5.413556  126.5995       5.816182  -30.82440      24.41401 
1 1 1 2   5   15 o 88.78724 23.58602 0.9638680      1.314716  2.671139       1.327179  -31.07828      40.09746 
1 1 1 2   5   16 o 251.8160 10.21105 12.87875       1.598643  15.02398       1.584898  -19.56477      20.58689 
1 1 1 2   5   17 o 435.9411 9.563416 40.70213       2.551514  42.92468       2.622278  -11.58057      19.18326 
1 1 1 2   5   18 o 253.2910 12.53723 15.04818       2.033221  13.39618       1.900944  14.73735       25.24688 
1 1 1 2   5   19 o 180.7714 18.10317 11.31981       2.089139  3.898138       1.926238  95.87578       39.96635 
1 1 1 2   5   20 o 482.7235 11.04029 51.53221       3.300665  51.21752       3.311246  1.510559       22.18094 
1 1 1 2   5   21 o 332.0072 11.51851 26.54200       2.393404  22.34166       2.344660  28.92432       23.23627 
1 1 1 2   5   22 o 194.3864 17.35604 8.046035       2.050173  9.084141       2.092130  -12.34801      35.85912 
1 1 1 2   5   23 o 306.5595 14.01281 20.75388       2.634910  21.44569       2.681094  -4.974945      28.44762 
1 1 1 2   5   24 o 175.9877 21.49873 8.802579       2.318518  5.841827       2.278650  39.83847       45.75172 
1 1 1 2   5   25 o 192.4148 20.68153 9.184581       2.476640  8.402234       2.385556  8.644562       44.09593 
1 1 1 2   5   26 o 109.8976 33.60424 2.349736       2.435567  4.471237       2.577263  -24.64783      56.09163 
1 1 1 2   5   27 o 173.9473 25.39941 8.909749       2.657449  6.416088       2.662277  33.69943       53.82195 
1 1 1 2   6   0  o 833.0108 15.60165 157.3873       8.129827  147.9123       7.995646  25.90814       31.28508 
1 1 1 2   6   1  o 399.9273 16.88143 36.38122       4.187665  34.11448       4.169553  12.98462       33.93800 
1 1 1 2   6   2  o 291.0415 22.49282 17.77352       4.011873  19.81314       4.047040  -16.23117      45.73866 
1 1 1 2   6   3  o 217.4435 27.32451 12.04389       3.595469  9.163813       3.613549  31.09430       56.43465 
1 1 1 2   6   4  f 154.2006 33.26074 4.283148       3.143334  6.586202       3.035321  -28.57689      61.18335 
1 1 1 2   6   5  o 389.8455 13.98955 31.54823       3.282138  35.57896       3.481901  -23.48514      28.07427 
1 1 1 2   6   6  o 1341.523 20.88796 371.7389       16.52503  427.4773       18.38882  -93.24280      41.90825 
1 1 1 2   6   7  o 364.5806 11.92397 31.29790       2.863559  27.59709       2.549790  22.91074       23.94867 
1 1 1 2   6   8  o 1201.588 21.76644 383.7757       22.80750  296.7732       13.27352  149.9591       47.62602 
1 1 1 2   6   9  o 368.1402 14.78251 29.88513       2.382203  0.000000       0.000000  ?              ?        
1 1 1 2   6   10 o 360.5823 10.57069 29.81606       2.246337  27.13374       2.497271  17.34360       21.45884 
1 1 1 2   6   11 o 425.2174 11.80314 40.73912       2.772968  38.39534       3.611069  13.96906       24.75941 
1 1 1 2   6   12 o 279.6273 10.99029 16.18013       1.824906  18.54725       1.991252  -19.05545      22.10230 
1 1 1 2   6   13 f 142.1015 18.02502 4.825061       1.538091  4.271090       1.568724  9.294159       37.17949 
1 1 1 2   6   14 o 77.21149 25.79591 1.520039       1.472485  1.012370       1.430064  8.496925       43.00384 
1 1 1 2   6   15 o 359.7393 9.997693 27.85976       2.196720  29.10093       2.262451  -7.827271      20.04412 
1 1 1 2   6   16 o 369.0441 9.834874 30.73463       2.267751  29.19726       2.231583  9.489716       19.71651 
1 1 1 2   6   17 o 502.9265 11.87558 54.20028       3.166730  58.91867       4.663161  -19.41187      25.31571 
1 1 1 2   6   18 o 499.0484 10.48218 56.59682       3.285982  53.08664       3.205453  15.98718       21.03201 
1 1 1 2   6   19 o 445.9832 11.08090 44.18303       3.107119  43.41209       3.025626  3.850586       22.25636 
1 1 1 2   6   20 f 425.7872 10.63686 38.19166       2.780174  41.80029       2.839682  -19.30142      21.38067 
1 1 1 2   6   21 o 172.8470 17.04804 6.239707       1.836221  7.186139       1.773664  -13.30887      35.41998 
1 1 1 2   6   22 o 206.4924 15.34661 11.04302       1.952302  8.124101       1.951131  33.18141       31.88290 
1 1 1 2   6   23 o 145.4873 20.80607 4.250948       1.800887  5.695346       1.848689  -22.66402      42.94737 
1 1 1 2   6   24 o 173.6118 19.25515 7.391901       2.008987  6.610697       2.070095  11.49626       40.72367 
1 1 1 2   6   25 o 176.9039 26.19390 7.886843       3.873363  7.740794       2.289913  -19.03098      59.15401 
1 1 1 2   6   26 o 64.99524 29.49955 4.047937       4.302993  -1.336897      2.015392  52.95630       56.71779 
1 1 1 2   6   27 o 65.48188 28.47635 0.8193576      2.369024  -0.4232584E-01 1.994842  11.01357       46.94625 
1 1 1 2   7   0  o 718.0208 15.94701 121.4116       7.316178  106.2903       6.907151  47.79663       32.00051 
1 1 1 2   7   1  o 726.3343 16.46126 116.8977       7.456041  115.2406       7.378151  5.162231       33.03395 
1 1 1 2   7   2  o 1830.926 40.35503 0.000000       0.000000  748.5040       32.40931  ?              ?        
1 1 1 2   7   3  o 230.7450 28.04984 10.72542       3.987293  13.10386       3.880030  -24.51814      58.06112 
1 1 1 2   7   4  o 262.0033 23.31859 13.01459       3.708516  17.61934       3.793575  -40.98494      48.15107 
1 1 1 2   7   5  o 1518.993 33.58849 512.7404       22.37934  0.000000       0.000000  ?              ?        
1 1 1 2   7   6  o 197.8916 24.39834 8.959561       2.773077  8.553978       3.121086  5.730591       50.60550 
1 1 1 2   7   7  f 355.4252 14.42517 31.32783       3.347779  24.97693       3.024432  40.46750       28.98246 
1 1 1 2   7   8  o 172.3198 23.52520 3.266369       2.771893  8.879980       2.217905  -73.91134      49.79629 
1 1 1 2   7   9  o 510.3322 12.02809 55.78870       3.909998  58.63834       3.713083  -12.96649      24.21192 
1 1 1 2   7   10 o 311.3124 16.61158 21.47895       2.260130  0.000000       0.000000  ?              ?        
1 1 1 2   7   11 o 361.1529 13.80256 26.90084       3.424691  30.18465       2.832076  -22.24893      28.68947 
1 1 1 2   7   12 o 187.1984 22.81254 8.155094       2.777644  7.819262       2.443246  2.562759       47.55163 
1 1 1 2   7   13 o 101.5875 28.27437 2.352690       1.688176  2.478440       2.060953  -4.583031      49.27266 
1 1 1 2   7   14 o 363.9385 15.61844 29.28735       2.487453  0.000000       0.000000  ?              ?        
1 1 1 2   7   15 o 447.8980 10.69978 44.88991       3.076972  43.41476       2.878598  7.348175       21.49592 
1 1 1 2   7   16 o 396.1681 10.47861 34.72630       2.643205  34.35619       2.507869  2.002136       21.03361 
1 1 1 2   7   17 o 363.7807 10.74800 28.86948       2.524143  29.38094       2.332655  -3.462646      21.65111 
1 1 1 2   7   18 o 527.5958 10.99626 61.03905       3.636073  61.50379       3.562726  -2.104736      22.07430 
1 1 1 2   7   19 o 61.82536 27.11844 -1.335482      2.039103  0.6463733      1.951597  -15.88123      45.70623 
1 1 1 2   7   20 o 118.3730 25.18744 2.262758       1.785660  4.299751       1.799680  -33.29514      46.10931 
1 1 1 2   7   21 o 328.0524 11.26027 24.53591       2.309656  23.12420       2.267025  9.766052       22.66106 
1 1 1 2   7   22 o 155.0256 19.13487 6.044336       1.853704  5.027685       1.752741  14.77948       39.78519 
1 1 1 2   7   23 o 143.6714 21.21055 5.033670       1.874981  4.690375       1.794771  4.820724       43.70713 
1 1 1 2   7   24 o 108.6008 27.54674 3.575491       1.839527  2.319276       1.877598  19.26626       48.58680 
1 1 1 2   7   25 o 97.92102 29.36611 2.948939       1.896506  2.011323       1.954332  12.78331       49.52628 
1 1 1 2   7   26 o 54.03926 24.87233 -0.2252497     2.001130  -1.001576      1.849617  7.968983       42.04914 
1 1 1 2   7   27 o 152.1530 23.39234 6.271223       2.249274  5.423515       2.040483  9.340729       49.06325 
1 1 1 2   8   0  o 868.3455 17.91485 175.3909       9.858102  157.7086       9.454318  46.17487       35.97476 
1 1 1 2   8   1  o 731.4329 17.64182 123.0018       8.055066  112.8037       7.954874  31.82086       35.45092 
1 1 1 2   8   2  o 1299.032 21.30618 392.8253       17.81976  354.5258       16.58447  66.19641       42.74933 
1 1 1 2   8   3  o 487.5832 17.66184 60.10616       5.642516  46.21084       5.069641  64.44055       35.49274 
1 1 1 2   8   4  o 410.1309 26.19463 0.000000       0.000000  37.36873       4.687702  ?              ?        
1 1 1 2   8   5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   8   6  o 1052.651 25.50061 245.3405       11.77434  0.000000       0.000000  ?              ?        
1 1 1 2   8   7  f 390.7761 20.13046 0.000000       0.000000  33.80247       3.438879  ?              ?        
1 1 1 2   8   8  o 537.1071 14.21375 65.83913       5.094138  61.83717       4.436791  16.31659       28.68619 
1 1 1 2   8   9  o 571.8690 15.41282 75.90958       7.119343  70.65676       4.598265  17.14227       33.58099 
1 1 1 2   8   10 o 85.33698 30.23534 1.404486       2.014621  1.494240       1.991146  -0.8106308     50.10051 
1 1 1 2   8   11 o 326.6548 15.52573 23.48442       2.622885  24.18801       4.156614  -0.7163086     34.79230 
1 1 1 2   8   12 o 134.6943 27.14384 2.812733       2.005067  6.354673       2.436483  -51.98380      50.29283 
1 1 1 2   8   13 o 127.6520 35.28912 3.852714       2.041955  0.000000       0.000000  ?              ?        
1 1 1 2   8   14 o 96.86543 30.62427 2.234413       1.879396  1.855511       2.305451  0.5647507      51.76289 
1 1 1 2   8   15 o 476.3850 11.57036 51.77522       3.462918  48.14663       3.377050  17.33301       23.22430 
1 1 1 2   8   16 o 500.6709 11.55143 55.72528       3.625050  54.60464       3.551294  5.041290       23.18527 
1 1 1 2   8   17 o 180.7758 18.21575 5.978704       2.108770  8.429195       1.932493  -32.90956      38.87094 
1 1 1 2   8   18 o 242.2808 14.99793 14.35674       2.437356  12.02896       2.088798  21.23364       30.39635 
1 1 1 2   8   19 o 312.2021 14.08556 20.70057       2.863045  22.27005       2.597951  -12.12216      28.64601 
1 1 1 2   8   20 o 241.5078 15.16044 13.83608       2.437208  12.33356       2.116171  13.32498       30.84112 
1 1 1 2   8   21 o 218.1005 15.30650 11.68291       2.207485  9.840631       1.934783  18.38055       31.20016 
1 1 1 2   8   22 o 187.7236 17.31241 7.629306       2.031623  8.332235       1.957092  -9.393097      35.96426 
1 1 1 2   8   23 o 103.4547 29.00001 2.349733       1.993255  2.972833       1.882551  -8.707191      49.97856 
1 1 1 2   8   24 o 87.10926 30.04161 2.110516       1.955876  1.517016       1.982821  7.143600       49.45688 
1 1 1 2   8   25 o 151.8356 22.25985 5.524324       2.063910  5.664105       2.006008  -2.935760      46.57817 
1 1 1 2   8   26 o 59.02353 26.34038 -1.401358      1.956887  1.127247       1.966586  -20.15788      43.83738 
1 1 1 2   8   27 o 62.30161 27.29299 -0.1247237     1.937858  0.5938745      2.099850  -7.705353      44.83104 
1 1 1 2   9   0  o 454.7955 21.75708 47.80723       6.117496  44.05681       6.123082  19.02805       43.97617 
1 1 1 2   9   1  o 695.0468 17.28969 114.2321       7.666052  99.65420       7.259518  47.50470       34.75769 
1 1 1 2   9   2  o 226.4650 36.22577 9.448543       5.001590  13.93714       4.837690  -44.57460      72.53117 
1 1 1 2   9   3  o 408.8215 29.65618 0.000000       0.000000  37.37399       5.281866  ?              ?        
1 1 1 2   9   4  o 483.6699 25.88568 0.000000       0.000000  52.01709       5.471736  ?              ?        
1 1 1 2   9   5  o 472.3531 16.68502 45.09002       4.658556  54.26301       5.139171  -43.80307      33.52683 
1 1 1 2   9   6  o 351.8672 17.83555 26.81517       3.743743  28.04225       4.032930  -7.570099      36.00257 
1 1 1 2   9   7  o 217.6908 21.82844 10.34487       2.956397  10.83836       2.861794  -5.639130      44.95021 
1 1 1 2   9   8  o 344.1301 16.98651 29.96507       4.171838  23.97956       3.234360  37.78076       34.61769 
1 1 1 2   9   9  o 75.42907 33.60566 5.092632       4.794698  -2.389598      2.545261  83.27475       64.52117 
1 1 1 2   9   10 o 152.8702 29.79985 4.513345       3.057204  6.102048       2.480819  -21.31416      57.33584 
1 1 1 2   9   11 o 79.19244 31.15034 2.364717       2.289130  -0.4591607     2.199500  30.68465       51.02782 
1 1 1 2   9   12 o 347.7225 14.59742 25.70804       3.025410  28.09424       3.272410  -15.16034      29.44477 
1 1 1 2   9   13 o 404.8779 18.37935 36.41725       3.255528  0.000000       0.000000  ?              ?        
1 1 1 2   9   14 o 249.4052 20.55202 10.70207       3.166259  16.98396       3.136819  -59.48378      43.57640 
1 1 1 2   9   15 o 161.1232 24.39256 7.575307       2.229633  3.745538       2.520648  53.48819       49.53092 
1 1 1 2   9   16 f 487.2982 12.64107 50.19310       3.690624  54.78978       3.959392  -21.22632      25.37450 
1 1 1 2   9   17 o 78.35140 30.84306 -0.1236158     2.075696  2.068919       2.350701  -27.39726      51.13161 
1 1 1 2   9   18 o 288.8540 14.92041 16.60202       2.643359  20.41913       2.685971  -30.37628      30.23637 
1 1 1 2   9   19 o 530.2717 13.03058 65.71007       4.459520  58.89726       4.131744  28.83862       26.20347 
1 1 1 2   9   20 o 123.9177 28.17478 3.472927       2.207915  3.765280       2.035724  -4.133949      51.69488 
1 1 1 2   9   21 o 199.7061 18.06929 8.080195       2.333117  9.775146       2.111895  -21.48563      38.19865 
1 1 1 2   9   22 o 203.5007 21.40051 8.967031       2.341568  10.63563       3.161668  -12.43884      46.13802 
1 1 1 2   9   23 o 134.5932 26.01793 3.536009       2.297648  5.079354       1.935861  -25.22745      50.19688 
1 1 1 2   9   24 o 94.18167 30.40356 2.572618       2.199577  1.987748       1.882010  9.079636       50.91418 
1 1 1 2   9   25 o 74.26580 33.08324 0.1439101      2.178072  0.000000       0.000000  ?              ?        
1 1 1 2   9   26 o 240.5291 15.67146 13.99480       2.474536  12.94696       2.200562  6.928619       32.65970 
1 1 1 2   9   27 o 109.9906 32.03111 2.931026       2.212372  4.177455       2.439737  -14.31098      54.47186 
1 1 1 2   10  0  o 242.4315 40.62667 17.65172       5.923880  10.16873       5.863960  67.37878       80.31499 
1 1 1 2   10  1  o 235.7314 38.24577 9.156823       5.421715  16.71977       5.380820  -70.95723      75.99316 
1 1 1 2   10  2  o 418.7104 31.99791 0.000000       0.000000  39.67609       5.832224  ?              ?        
1 1 1 2   10  3  o 211.3627 38.34568 9.123682       4.576563  12.07338       5.160946  -28.73288      74.91026 
1 1 1 2   10  4  o 107.1055 42.57105 2.304821       4.072047  0.5868149      4.406468  9.008698       70.27728 
1 1 1 2   10  5  o 162.3487 39.31709 4.369722       3.750556  8.447345       4.107850  -45.07452      69.72297 
1 1 1 2   10  6  o 92.86627 37.27844 0.1562411      3.144670  2.036745       3.424368  -19.25151      61.87386 
1 1 1 2   10  7  o 110.4307 37.16822 5.067136       3.201307  0.7161319      2.851797  49.47903       60.71943 
1 1 1 2   10  8  o 232.5134 25.37384 16.25189       4.463259  10.31736       3.099586  52.54045       53.04193 
1 1 1 2   10  9  o 110.0923 38.52306 3.174371       3.776638  2.238399       2.887205  16.85607       64.65207 
1 1 1 2   10  10 o 85.22591 35.16375 0.5971890      3.400855  0.6999602      2.730927  7.958374       58.72834 
1 1 1 2   10  11 o 101.7769 34.29880 4.165939       2.675433  0.6810452      2.466132  41.85026       55.99176 
1 1 1 2   10  12 o 85.12371 35.34866 -0.9123667     4.082573  1.129519       2.563469  5.231094       59.84484 
1 1 1 2   10  13 o 175.2066 34.83378 7.189432       2.582729  0.000000       0.000000  ?              ?        
1 1 1 2   10  14 o 269.7772 17.73621 18.56955       2.821433  13.22069       3.101766  47.16524       37.44978 
1 1 1 2   10  15 o 487.2519 16.02139 50.55415       5.269091  53.81993       4.494573  -16.56570      32.81771 
1 1 1 2   10  16 o 387.1223 14.22388 33.95502       3.244796  32.04951       3.603108  11.90311       28.87044 
1 1 1 2   10  17 o 177.7881 23.97816 6.604757       2.412306  7.969074       2.781034  -16.30911      49.37339 
1 1 1 2   10  18 o 181.2575 24.84370 8.125571       2.617381  6.726213       2.835597  18.84225       51.40567 
1 1 1 2   10  19 o 295.7702 24.99266 19.78464       3.212094  0.000000       0.000000  ?              ?        
1 1 1 2   10  20 o 244.5459 17.16587 13.16833       2.545428  13.62260       2.631665  -3.975983      34.97581 
1 1 1 2   10  21 o 365.2743 13.25322 28.95008       3.100443  30.32766       2.905142  -9.388580      26.86134 
1 1 1 2   10  22 o 147.9527 25.65795 5.972373       2.380915  4.615079       2.172425  18.67433       51.06628 
1 1 1 2   10  23 o 120.1560 29.85471 5.354331       2.465735  2.553020       2.028486  38.28187       53.08010 
1 1 1 2   10  24 o 109.4587 30.75376 3.931006       2.338472  2.521281       2.040094  18.92953       53.12929 
1 1 1 2   10  25 o 79.46752 30.61386 2.638415       2.368763  0.5941882      1.952940  24.05307       50.14870 
1 1 1 2   10  26 o 136.3596 27.13090 4.481181       2.307101  5.191156       2.131601  -12.55557      52.63148 
1 1 1 2   10  27 o 92.59814 31.45541 2.421712       2.394845  2.483938       1.978387  -0.3151474     51.43604 
1 1 1 2   11  0  f 153.8823 53.96904 -0.4403768     6.332073  11.45845       6.406241  -81.20676      85.54231 
1 1 1 2   11  1  o 317.7442 41.15965 20.62438       7.360806  28.29018       8.635546  -49.56726      86.51688 
1 1 1 2   11  2  o 166.0421 55.14281 2.259640       5.959074  13.69954       7.599068  -87.13454      90.90060 
1 1 1 2   11  3  o 179.8349 48.43933 9.138319       5.057735  6.158469       6.148179  23.32472       84.18738 
1 1 1 2   11  4  o 196.0443 54.16640 0.000000       0.000000  9.577016       4.812345  ?              ?        
1 1 1 2   11  5  o 78.77244 36.45310 -1.197489      4.025315  -3.395127      4.416849  5.681061       62.65821 
1 1 1 2   11  6  o 152.3566 37.68086 3.785411       3.497438  7.412508       3.586556  -41.17079      66.24693 
1 1 1 2   11  7  o 124.4093 38.92286 2.217039       3.414259  4.878918       3.263422  -26.89675      64.79792 
1 1 1 2   11  8  o 96.78416 38.78209 0.2352691      4.302505  1.776286       3.075779  2.225830       64.58156 
1 1 1 2   11  9  o 233.8468 28.51916 6.651431       4.391154  17.01042       3.780177  -106.7472      62.45424 
1 1 1 2   11  10 o 97.82611 40.99680 1.498981       5.605521  0.4485776      3.485106  28.32758       70.78685 
1 1 1 2   11  11 o 228.9506 25.86368 8.971320       3.977326  14.03218       3.327102  -56.19815      57.24367 
1 1 1 2   11  12 o 542.8824 20.90306 0.000000       0.000000  65.63087       4.968264  ?              ?        
1 1 1 2   11  13 o 142.3314 33.46176 4.365433       2.844361  5.159811       2.968160  -10.48401      60.65805 
1 1 1 2   11  14 o 523.5389 20.35984 60.79077       4.666550  0.000000       0.000000  ?              ?        
1 1 1 2   11  15 o 229.6000 22.88642 11.29599       3.003054  12.55124       3.482403  -11.15962      47.36084 
1 1 1 2   11  16 o 433.3153 15.08560 42.38352       3.950848  40.58624       4.154291  9.901825       30.43289 
1 1 1 2   11  17 o 367.3994 15.60731 28.03151       3.280883  32.58771       3.895522  -26.98248      31.61355 
1 1 1 2   11  18 o 180.3428 26.68840 7.555089       2.802259  7.339736       2.998981  3.482071       54.47470 
1 1 1 2   11  19 o 344.0250 24.27880 26.74970       3.640157  0.000000       0.000000  ?              ?        
1 1 1 2   11  20 o 131.1042 34.22882 3.190547       2.673474  5.406261       2.977388  -28.34903      60.02156 
1 1 1 2   11  21 o 206.4319 21.76075 10.78736       2.740868  8.812884       2.748504  22.97084       45.81093 
1 1 1 2   11  22 f 170.3016 24.25815 8.330385       2.447825  5.310217       2.535067  41.94705       50.48558 
1 1 1 2   11  23 o 247.4560 17.60669 16.10987       2.718531  12.20552       2.652698  36.79523       36.86148 
1 1 1 2   11  24 o 145.3935 27.71642 3.204855       2.435263  7.432313       2.382676  -58.78454      51.93046 
1 1 1 2   11  25 o 65.78473 28.74127 -0.7763386     2.409158  1.016051       2.069687  -9.482018      46.90069 
1 1 1 2   11  26 o 170.8469 32.70966 0.000000       0.000000  8.177194       2.361990  ?              ?        
1 1 1 2   11  27 o 133.6675 29.96170 2.701985       2.597401  6.864356       2.279166  -56.48402      52.36673 
1 1 1 2   12  0  o 180.4496 52.51736 6.034602       5.900032  10.40769       6.627766  -36.81219      89.69823 
1 1 1 2   12  1  o 204.6823 66.05748 15.11721       9.424863  6.289375       9.673937  51.10605       108.5253 
1 1 1 2   12  2  o 177.1646 65.31409 11.59747       9.327446  2.926219       9.605375  43.62672       105.5290 
1 1 1 2   12  3  o 118.9344 49.13016 3.062329       5.585202  -0.1820053     6.246011  12.71024       80.67446 
1 1 1 2   12  4  o 252.9427 43.01563 15.68789       6.033453  15.09976       7.115574  10.20013       87.11188 
1 1 1 2   12  5  o 105.3397 46.01063 0.6465624      5.317839  -1.149634      6.144287  1.167671       76.73180 
1 1 1 2   12  6  o 99.81375 41.71841 1.568921       4.390769  0.1150102      4.246615  11.07074       69.09152 
1 1 1 2   12  7  o 254.7555 26.54121 19.04300       4.257359  11.07462       4.018713  73.12125       56.54545 
1 1 1 2   12  8  o 110.3193 41.90788 -1.754602      4.586822  4.637124       3.530550  -37.87911      66.87186 
1 1 1 2   12  9  o 123.4495 43.18661 6.470839       4.675237  1.461281       3.661302  50.55392       71.86652 
1 1 1 2   12  10 o 123.1473 43.58089 6.076352       6.403852  2.505055       3.311569  48.57585       77.99496 
1 1 1 2   12  11 o 324.1931 21.58045 23.76223       4.834572  23.31748       3.933786  0.4465942      44.86868 
1 1 1 2   12  12 o 132.3126 45.56537 0.000000       0.000000  3.781859       3.202922  ?              ?        
1 1 1 2   12  13 o 381.3813 16.62357 32.58318       3.867601  31.73770       3.981554  5.289520       33.50931 
1 1 1 2   12  14 o 109.7037 37.06707 1.381878       2.925242  3.890646       3.070112  -28.07912      61.25634 
1 1 1 2   12  15 o 677.1536 21.96494 0.000000       0.000000  102.1136       6.515438  ?              ?        
1 1 1 2   12  16 o 280.8324 20.11252 15.00785       3.417298  20.47089       3.547400  -44.91946      41.36309 
1 1 1 2   12  17 o 183.7096 28.28197 6.077784       2.942226  9.970211       3.333827  -46.24055      56.81343 
1 1 1 2   12  18 f 103.8308 37.54877 2.853015       2.993889  1.336588       3.230722  12.23586       61.77781 
1 1 1 2   12  19 o 137.6524 35.48096 4.902088       2.874869  4.167239       3.258721  7.879669       62.75543 
1 1 1 2   12  20 o 102.7969 36.61496 3.237649       2.840268  1.229995       3.052429  18.05214       59.90569 
1 1 1 2   12  21 f 417.4206 23.70235 0.000000       0.000000  40.29374       4.321934  ?              ?        
1 1 1 2   12  22 o 200.4706 23.96525 9.713951       2.785956  9.307734       3.078393  8.219269       51.31001 
1 1 1 2   12  23 o 150.8414 30.47843 5.205516       2.556673  6.744449       3.004434  -16.23376      58.99611 
1 1 1 2   12  24 o 84.45303 33.30382 -1.001548      2.551762  4.205438       2.587730  -46.78761      52.81861 
1 1 1 2   12  25 o 130.8513 31.92083 5.256862       2.533560  4.319064       2.603024  12.59730       57.53142 
1 1 1 2   12  26 o 64.24799 29.02016 -0.5951865     2.492757  0.4608177      2.432606  -6.034889      47.46852 
1 1 1 2   12  27 o 66.12712 30.62912 0.2363328E-01  2.380762  -1.191034      4.530998  -9.694305      51.04665 
1 1 1 2   13  0  o 103.2962 46.15421 -2.747482      5.538827  0.4477216      6.714252  -27.79064      79.25898 
1 1 1 2   13  1  o 446.2881 26.42340 45.65984       6.886352  43.22356       7.755615  14.99164       54.35876 
1 1 1 2   13  2  o 168.5555 61.67956 6.157247       5.949775  0.000000       0.000000  ?              ?        
1 1 1 2   13  3  f 175.4836 58.06343 3.270117       6.731623  13.64526       8.189860  -74.79387      95.98544 
1 1 1 2   13  4  o 135.4832 55.75587 6.522999       7.607010  -1.633247      7.485027  41.90294       91.25596 
1 1 1 2   13  5  o 229.7457 60.02138 12.53482       8.379764  15.00516       8.940483  -16.79022      105.9447 
1 1 1 2   13  6  o 95.43265 46.12665 -9.558137      8.312243  -6.391938      8.277205  -8.180183      80.63659 
1 1 1 2   13  7  o 96.45177 41.36666 0.3416080      4.168885  0.3244217E-01  4.749907  -4.594566      69.08408 
1 1 1 2   13  8  o 105.4802 44.73262 1.330175       6.311965  0.2304902      4.367577  25.19523       76.25066 
1 1 1 2   13  9  o 119.8453 49.22009 6.904155       8.130094  -0.2461560     4.821133  66.78902       86.88892 
1 1 1 2   13  10 o 210.6703 54.39880 0.000000       0.000000  10.96397       5.061499  ?              ?        
1 1 1 2   13  11 o 289.3439 25.77318 19.76183       5.145060  18.20302       4.164113  9.313354       53.86028 
1 1 1 2   13  12 o 288.3546 33.45255 0.000000       0.000000  18.96277       4.152717  ?              ?        
1 1 1 2   13  13 o 233.5936 25.38289 11.71064       3.670367  12.85599       3.569715  -11.98331      52.62947 
1 1 1 2   13  14 o 90.26162 36.02650 2.781517       2.971053  -0.9209250     3.116993  30.11883       58.92253 
1 1 1 2   13  15 o 376.9299 24.79225 31.95413       4.076241  0.000000       0.000000  ?              ?        
1 1 1 2   13  16 o 222.8041 25.65721 11.60577       3.403489  10.97244       3.564945  7.550934       53.47655 
1 1 1 2   13  17 o 81.00349 35.55608 1.918557       3.491577  -2.582828      3.377800  31.93916       59.94112 
1 1 1 2   13  18 o 320.6655 20.17620 21.37093       3.919818  24.83195       4.070469  -24.54572      41.08659 
1 1 1 2   13  19 o 59.32023 28.67743 -4.015489      3.114893  -2.622098      3.314096  -9.314186      50.87058 
1 1 1 2   13  20 o 72.64078 32.55479 0.1156799      2.811441  -1.607159      3.310576  4.062592       54.74151 
1 1 1 2   13  21 o 335.1088 28.93913 0.000000       0.000000  26.90705       4.212116  ?              ?        
1 1 1 2   13  22 o 183.9635 28.46019 9.159581       3.048858  7.512946       3.246471  22.90332       59.23957 
1 1 1 2   13  23 f 73.21532 32.75222 -0.7829071     3.007802  0.6446658      3.098921  -9.615715      54.03146 
1 1 1 2   13  24 o 103.7037 36.21406 3.945528       2.749089  2.004424       2.998597  17.85948       58.30698 
1 1 1 2   13  25 o 88.08257 33.98323 1.677286       2.572908  2.592556       2.688278  -8.277252      54.24529 
1 1 1 2   13  26 f 112.4449 35.11694 3.958227       2.576336  3.989682       2.883534  1.239990       58.02938 
1 1 1 2   13  27 o 67.98277 30.67337 0.1433557E-01  2.610070  0.8674849      2.895846  -6.715485      49.24817 
1 1 1 2   14  0  o 528.6716 28.32012 59.49439       7.677067  70.02637       12.51027  -34.84833      62.74453 
1 1 1 2   14  1  o 325.2645 35.76060 20.72504       6.646698  28.40859       7.651953  -52.27716      74.18148 
1 1 1 2   14  2  o 237.3813 45.30009 10.39594       6.137338  16.74128       6.762587  -54.55577      86.64760 
1 1 1 2   14  3  o 179.2043 58.46544 3.964176       6.840790  12.68172       8.304327  -65.65010      97.45238 
1 1 1 2   14  4  o 132.7890 48.86971 -0.7422487     5.041852  8.554832       5.588554  -72.71027      78.83172 
1 1 1 2   14  5  f 245.3532 32.13120 14.73964       4.784159  12.81913       4.761708  18.32933       66.51614 
1 1 1 2   14  6  o 195.4381 37.90969 14.03382       4.586196  4.547920       4.288904  96.41217       68.95885 
1 1 1 2   14  7  o 109.8459 50.72040 -0.7850258     8.779819  -5.814296      7.524240  29.31967       87.67490 
1 1 1 2   14  8  o 266.4012 49.81034 18.90646       8.883491  15.79280       7.227810  20.00243       98.06693 
1 1 1 2   14  9  o 247.8725 54.18230 20.04401       9.060195  11.58248       7.389074  62.56552       100.6296 
1 1 1 2   14  10 f 316.2700 40.50038 14.76590       7.863845  31.11205       7.667115  -121.7302      85.78591 
1 1 1 2   14  11 o 225.2942 39.09473 11.12890       5.059315  12.68516       5.499465  -14.04413      77.44141 
1 1 1 2   14  12 o 199.4428 48.85849 3.132641       7.461515  12.69659       5.152694  -69.03680      84.19320 
1 1 1 2   14  13 o 173.3296 44.47846 5.708717       4.867436  8.668317       4.746370  -28.20052      78.17044 
1 1 1 2   14  14 o 393.4364 26.05021 36.72844       6.510548  33.23837       6.148807  19.40930       53.21439 
1 1 1 2   14  15 o 157.6133 44.13929 9.359895       4.743316  3.380829       4.266756  58.47662       74.65041 
1 1 1 2   14  16 o 239.1386 26.30499 17.88656       3.866784  8.301269       3.809432  94.98100       57.10524 
1 1 1 2   14  17 o 405.1006 21.42886 40.75102       4.824240  30.27681       6.143218  66.02191       47.49841 
1 1 1 2   14  18 o 219.7773 29.70745 8.373063       3.984964  14.01717       3.909084  -60.45885      62.10268 
1 1 1 2   14  19 o 140.2896 37.21326 7.082337       3.315943  2.767295       3.267031  48.71031       63.43293 
1 1 1 2   14  20 o 113.6239 39.10521 1.589168       3.257802  4.846510       3.420324  -31.89891      63.93310 
1 1 1 2   14  21 o 89.34751 36.34697 -1.592753      3.091836  4.507352       3.234289  -49.49760      58.64533 
1 1 1 2   14  22 o 310.5837 21.91245 19.82397       3.712413  28.34782       4.931847  -48.84351      46.57430 
1 1 1 2   14  23 o 109.8145 38.38842 3.173576       2.967369  3.755355       3.552377  -6.048615      62.58625 
1 1 1 2   14  24 o 69.43336 31.84937 -1.700019      3.073896  1.068649       3.153827  -15.28418      52.43330 
1 1 1 2   14  25 o 61.62607 29.12127 -3.154901      2.826371  1.393323       3.043114  -23.56157      49.08455 
1 1 1 2   14  26 o 177.4832 40.61400 10.77586       3.093201  0.000000       0.000000  ?              ?        
1 1 1 2   14  27 o 75.79636 33.09335 2.205058       2.955960  0.5481535      2.922792  9.640923       51.82438 
1 1 1 2   15  0  o 616.1408 25.13140 74.92983       8.993876  97.20047       10.31091  -80.11572      50.77748 
1 1 1 2   15  1  o 117.2018 50.96035 -4.574667      6.665041  4.548734       7.181557  -49.43146      85.81210 
1 1 1 2   15  2  o 316.2261 36.79335 26.04127       6.838591  19.06899       7.355217  54.36401       78.16976 
1 1 1 2   15  3  o 481.2349 33.21513 48.44362       9.316998  56.88722       10.49736  -37.60519      67.92802 
1 1 1 2   15  4  o 288.9197 34.49293 20.41403       6.070287  17.60174       6.049668  23.00162       71.72428 
1 1 1 2   15  5  o 237.3889 35.70886 12.17634       5.105463  13.72624       5.085931  -15.01128      72.61303 
1 1 1 2   15  6  o 125.9686 46.18147 0.3722328      4.692609  5.773725       4.748711  -42.56129      75.25728 
1 1 1 2   15  7  o 216.0499 41.39689 11.39599       5.222186  10.46836       5.479331  9.264709       79.86070 
1 1 1 2   15  8  o 129.8450 45.83182 -0.2703715     5.631093  5.366816       3.982577  -28.47206      74.61692 
1 1 1 2   15  9  o 121.6879 46.92192 0.3696823      6.445671  3.322455       4.239771  0.8734436      78.39433 
1 1 1 2   15  10 o 293.1497 39.13452 0.000000       0.000000  19.88304       4.906527  ?              ?        
1 1 1 2   15  11 o 141.0378 62.79712 -1.250926      7.837588  0.000000       0.000000  ?              ?        
1 1 1 2   15  12 o 246.3107 50.56772 9.580480       7.621930  19.58090       7.321787  -79.64874      93.35358 
1 1 1 2   15  13 o 199.4669 54.92116 6.805808       7.161140  12.92663       6.868605  -46.18677      93.92095 
1 1 1 2   15  14 o 112.2266 49.10258 2.303572       6.763390  -2.238303      6.266419  25.90464       82.12553 
1 1 1 2   15  15 o 109.6951 47.70180 1.526249       5.959479  -1.551213      6.155274  13.52886       79.31939 
1 1 1 2   15  16 o 187.6962 39.59222 12.72162       3.919589  0.6382964      5.326220  106.4721       67.01035 
1 1 1 2   15  17 o 287.1414 41.55433 27.54241       7.979498  14.67730       6.591271  93.28920       85.61706 
1 1 1 2   15  18 o 170.2854 47.66191 6.230490       5.423315  8.659701       5.060170  -20.94341      81.90141 
1 1 1 2   15  19 o 106.5340 44.64658 2.968766       5.271153  0.3082048      4.705270  19.63679       73.23592 
1 1 1 2   15  20 o 170.6545 42.23846 6.618183       4.333619  9.229893       4.569941  -24.54752      75.67452 
1 1 1 2   15  21 o 96.83297 39.68965 -0.7141237     4.474972  3.212990       3.365175  -17.14983      63.49654 
1 1 1 2   15  22 o 67.36726 31.98107 -0.3964067E-01 4.547581  -2.686457      3.085365  24.75529       55.95474 
1 1 1 2   15  23 o 77.27944 34.24097 0.1621585      3.202294  0.7054840      3.310857  -4.022919      55.55150 
1 1 1 2   15  24 o 80.77784 34.72551 0.6681032      3.081264  1.862481       3.194304  -8.041977      55.34776 
1 1 1 2   15  25 o 82.79942 35.73023 0.5725932      3.101174  3.105106       3.656564  -16.29848      56.67113 
1 1 1 2   15  26 o 79.12619 36.59410 1.190645       2.991340  0.000000       0.000000  ?              ?        
1 1 1 2   15  27 o 91.82602 37.00839 3.746894       2.966758  2.490711       3.611943  8.505234       56.20087 
1 1 1 2   16  0  o 135.8810 60.84082 0.000000       0.000000  -1.706653      7.466138  ?              ?        
1 1 1 2   16  1  o 414.9385 31.88537 42.92347       8.049015  34.88694       8.242936  46.38693       66.28721 
1 1 1 2   16  2  o 353.2835 36.37868 30.90550       7.702723  26.01232       8.024172  34.45367       76.59554 
1 1 1 2   16  3  o 231.7152 58.34916 9.621890       7.990088  17.61344       8.834758  -58.58899      102.9755 
1 1 1 2   16  4  o 365.0320 31.42155 26.38941       7.664105  32.85152       6.556491  -46.10880      67.75082 
1 1 1 2   16  5  o 146.4809 48.56588 3.764252       5.113433  5.893133       5.176192  -17.78535      80.78928 
1 1 1 2   16  6  o 195.0225 44.75327 6.444480       5.335124  11.62769       5.263785  -48.58643      80.51730 
1 1 1 2   16  7  o 146.0392 46.60287 3.801537       5.184571  5.693910       4.427171  -11.73412      78.05289 
1 1 1 2   16  8  f 300.0457 29.85324 18.41107       6.655465  21.41619       4.769710  -31.41098      67.81047 
1 1 1 2   16  9  o 291.5597 33.57697 10.63731       7.289988  23.90206       5.167460  -114.6183      78.20838 
1 1 1 2   16  10 o 196.5065 44.77526 11.43258       6.373598  8.164751       4.681438  29.91756       83.61431 
1 1 1 2   16  11 o 123.8692 48.36121 -6.475089      7.882797  5.284313       4.335403  -31.23514      77.95059 
1 1 1 2   16  12 o 107.5223 44.69629 3.074096       5.733872  -0.1158971     4.370897  32.83469       75.44476 
1 1 1 2   16  13 o 149.3439 46.81401 1.600376       5.278074  8.086661       4.469739  -50.04231      76.07890 
1 1 1 2   16  14 f 203.5959 38.56991 11.45008       4.744895  8.420202       4.642588  30.80197       74.54837 
1 1 1 2   16  15 o 141.9219 45.62366 5.364898       4.593484  4.201808       4.521503  10.59456       76.29002 
1 1 1 2   16  16 o 518.3828 24.57478 59.26292       9.424297  61.58261       6.908695  -21.54861      53.37920 
1 1 1 2   16  17 o 128.3629 50.42385 5.309286       5.509544  0.5356523      6.312848  23.32082       81.46236 
1 1 1 2   16  18 o 128.2272 50.92070 5.570643       5.836150  1.012691       6.280122  23.49536       81.94434 
1 1 1 2   16  19 o 142.9681 51.16380 5.053686       5.601277  6.352707       5.908127  -9.074203      82.80201 
1 1 1 2   16  20 o 127.5967 55.37523 3.776133       5.745872  0.000000       0.000000  ?              ?        
1 1 1 2   16  21 o 78.24359 37.78712 -2.172886      5.254000  -4.708999      5.873988  2.890488       62.94959 
1 1 1 2   16  22 o 78.46609 36.02464 -2.966397      3.615114  3.753647       4.526515  -38.18169      61.05756 
1 1 1 2   16  23 o 91.87480 38.85470 3.378637       3.641838  0.4656303      4.014071  15.06318       61.06515 
1 1 1 2   16  24 o 88.57252 39.52836 1.818274       4.891750  2.024332       4.059974  1.164307       61.30438 
1 1 1 2   16  25 o 72.59393 34.30405 -2.064222      4.374449  1.007998       3.811378  -7.699493      54.60072 
1 1 1 2   16  26 f 94.62254 40.64318 3.383476       4.915905  4.130496       3.854201  -4.400131      60.48831 
1 1 1 2   16  27 o 78.43554 38.95138 0.000000       0.000000  0.7309548      5.157154  ?              ?        
1 1 1 2   17  0  o 305.5946 47.13412 24.83875       8.529138  19.14895       8.772149  43.39819       96.34706 
1 1 1 2   17  1  o 415.7852 52.48657 0.000000       0.000000  41.27308       9.359464  ?              ?        
1 1 1 2   17  2  o 161.3927 57.94765 10.01967       7.291109  1.182675       7.473486  53.73592       93.75851 
1 1 1 2   17  3  o 228.4701 57.74205 14.57126       8.135490  11.53891       8.237243  22.29633       102.6055 
1 1 1 2   17  4  o 129.5274 52.40619 -2.378239      6.490491  6.993268       6.568954  -53.98722      85.46981 
1 1 1 2   17  5  o 115.2446 47.32462 2.272532       5.556060  0.6310493      5.294678  12.44418       78.28308 
1 1 1 2   17  6  o 347.0338 29.31490 19.57500       6.264218  34.97769       6.239288  -106.2603      64.08318 
1 1 1 2   17  7  o 78.80499 37.13599 -2.555515      5.252200  -3.865060      4.295805  17.78053       65.36503 
1 1 1 2   17  8  o 120.8600 47.97075 6.241705       7.165911  0.6371865      4.469487  56.79865       83.20461 
1 1 1 2   17  9  o 88.72684 41.45581 -5.219254      7.456556  -2.534244      4.730443  18.89651       73.33780 
1 1 1 2   17  10 o 110.4866 46.42803 -2.137473      6.485588  2.548727       4.711365  -8.774567      76.79910 
1 1 1 2   17  11 o 120.5498 49.31548 8.618063       9.926172  0.4200183      4.558189  79.20964       92.00377 
1 1 1 2   17  12 o 202.9942 47.55512 6.075994       6.453835  13.13962       5.440484  -60.46196      84.16866 
1 1 1 2   17  13 o 284.9704 34.88266 14.80642       6.662406  21.76678       5.561426  -64.32782      76.41511 
1 1 1 2   17  14 o 93.02962 41.20664 -0.8746480     4.748459  -0.4335290     4.673889  -1.556267      69.21699 
1 1 1 2   17  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   17  16 o 275.6389 30.98591 20.62983       5.425643  15.44932       5.011855  42.01563       65.64600 
1 1 1 2   17  17 o 134.9883 44.84945 4.404477       4.329518  4.835574       4.446252  -4.079147      74.24932 
1 1 1 2   17  18 f 133.8864 44.35590 5.904209       4.110894  3.348518       4.498195  20.47513       72.74093 
1 1 1 2   17  19 o 174.7001 39.21795 6.277794       3.967248  10.41605       4.350384  -40.53328      72.30344 
1 1 1 2   17  20 o 94.72988 40.36439 -0.4127830     4.034665  3.604750       4.319049  -24.97438      65.28220 
1 1 1 2   17  21 o 106.6270 41.88643 6.961322       4.258793  0.2162001      3.870702  45.88118       66.48060 
1 1 1 2   17  22 o 99.75217 43.49471 3.846352       5.660898  1.538976       4.621257  12.52456       68.43890 
1 1 1 2   17  23 o 98.42406 44.09342 1.260457       5.362731  4.968916       5.767353  -13.39108      67.53312 
1 1 1 2   17  24 o 87.91995 41.12950 1.253670       5.520004  2.629354       5.660193  -3.955048      62.51167 
1 1 1 2   17  25 f 82.58939 39.31997 4.049031       5.564313  -1.140237      5.509748  12.66045       59.90234 
1 1 1 2   17  26 o 86.37721 40.53743 8.823947       5.433950  -2.612504      5.574821  28.75841       60.89989 
1 1 1 2   18  0  o 150.7396 60.19946 3.306294       8.372805  4.360467       8.626708  -6.731201      98.47941 
1 1 1 2   18  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   18  2  o 184.0343 62.28217 9.292512       8.283162  6.721613       8.639976  14.35150       102.9192 
1 1 1 2   18  3  o 165.7520 59.62930 7.667018       8.113906  4.641459       7.555038  21.06989       98.10687 
1 1 1 2   18  4  o 100.3303 47.32399 -2.805183      7.780859  -7.408497      7.562424  17.35133       82.02059 
1 1 1 2   18  5  o 372.9020 31.29736 22.06301       7.085320  41.75442       7.263877  -125.5109      68.64501 
1 1 1 2   18  6  o 235.7945 46.90810 15.27721       6.746660  11.81694       6.499578  29.20273       89.74611 
1 1 1 2   18  7  o 125.8853 48.56963 -3.586751      6.132476  6.784128       4.835248  -54.52187      76.74688 
1 1 1 2   18  8  o 259.5722 43.75047 10.62940       8.286604  18.94720       5.896537  -73.69290      88.63519 
1 1 1 2   18  9  o 250.2208 43.03466 17.34304       8.602467  14.09773       5.366231  14.47694       90.43631 
1 1 1 2   18  10 o 312.5699 36.62901 12.54780       8.047354  28.90001       6.231095  -132.7223      83.26601 
1 1 1 2   18  11 o 274.2947 47.07929 3.598733       11.45187  22.61485       6.212041  -125.8249      91.56918 
1 1 1 2   18  12 o 116.2724 48.85121 -4.118793      6.819577  4.435792       5.369902  -31.70091      79.50480 
1 1 1 2   18  13 o 391.6549 29.26607 34.83115       7.911954  35.35090       6.433017  -11.02271      62.37794 
1 1 1 2   18  14 o 151.9725 53.89712 5.083243       5.348605  6.909821       8.331992  -22.69926      90.99815 
1 1 1 2   18  15 f 192.6628 43.51302 7.529705       5.086285  11.33393       5.067893  -36.34132      79.73061 
1 1 1 2   18  16 o 101.7472 42.69112 3.089081       4.739610  -0.3782616     4.376342  24.28506       70.16234 
1 1 1 2   18  17 o 97.98782 42.63627 -0.5363341     4.627798  2.088670       5.092153  -17.48042      70.12307 
1 1 1 2   18  18 o 84.77586 38.59517 3.003885       4.463364  -4.315069      4.457203  35.06963       64.39301 
1 1 1 2   18  19 o 138.6532 45.03471 8.489997       4.375798  2.829747       4.492556  45.59431       72.51160 
1 1 1 2   18  20 o 88.12306 38.77956 1.085089       3.949801  1.000831       4.286480  -1.492867      62.12749 
1 1 1 2   18  21 o 87.91028 38.71575 2.238071       4.103083  0.1279982      4.100228  10.57102       61.73765 
1 1 1 2   18  22 o 70.20371 32.97847 -0.1744552     3.602687  -1.427530      3.714101  4.308037       53.75791 
1 1 1 2   18  23 o 75.28762 34.84027 -2.457493      3.860572  3.142433       3.826317  -22.63077      55.69836 
1 1 1 2   18  24 o 92.70575 40.01889 3.516851       3.936749  2.748211       4.521106  3.392410       60.51778 
1 1 1 2   18  25 o 84.33483 37.66932 2.625408       3.787294  2.913094       4.305106  -1.096748      56.44566 
1 1 1 2   18  26 o 61.59185 30.17610 -1.765100      3.731648  -0.7259574     4.084985  -4.056885      47.85842 
1 1 1 2   19  0  o 112.3477 51.81511 2.308399       8.239101  -8.422514      8.564207  33.77357       87.42166 
1 1 1 2   19  1  o 157.4366 68.01033 2.409309       9.984931  3.146634       16.82629  -30.42622      114.4852 
1 1 1 2   19  2  o 197.0092 61.44631 10.10240       8.986672  10.04262       7.784943  2.257599       103.3318 
1 1 1 2   19  3  o 261.3943 57.31319 20.68056       9.405898  14.54944       8.707646  42.17711       106.7416 
1 1 1 2   19  4  o 114.2181 53.11897 -10.90551      9.224101  2.172555       8.988852  -40.03417      90.73461 
1 1 1 2   19  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   19  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   19  7  o 79.35183 38.15735 -8.255664      6.306649  -3.394646      4.946008  -0.8282547     67.12222 
1 1 1 2   19  8  o 95.76950 44.13170 -11.63404      7.991300  1.042590       5.091796  -16.62673      74.74143 
1 1 1 2   19  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   19  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   19  11 x ?        ?        -56.37476      12.46938  -21.40112      6.071870  ?              ?        
1 1 1 2   19  12 o 82.05335 39.50464 -6.742032      7.043594  -4.601439      5.234573  11.60158       69.58978 
1 1 1 2   19  13 o 274.3728 40.87725 10.42469       7.447846  24.13423       6.210054  -118.4241      83.79353 
1 1 1 2   19  14 o 150.4335 56.75055 9.934514       6.300173  -2.342067      8.733854  52.88324       88.50970 
1 1 1 2   19  15 o 264.2683 50.09820 0.000000       0.000000  18.89841       5.594755  ?              ?        
1 1 1 2   19  16 o 86.01253 40.71795 -5.698109      4.795391  4.320020       7.785131  -57.32228      75.06274 
1 1 1 2   19  17 o 100.2009 43.11432 3.166324       4.929284  -0.3788774     4.760910  19.71877       69.85754 
1 1 1 2   19  18 o 119.6991 45.68447 1.852011       4.663219  6.344725       4.769958  -29.44114      72.63702 
1 1 1 2   19  19 o 84.03951 38.52675 3.700997       4.415079  -4.226925      4.689945  31.51411       62.67355 
1 1 1 2   19  20 o 71.65653 34.26651 -1.670114      4.211061  -2.277995      4.402739  0.6435165      56.69348 
1 1 1 2   19  21 o 89.65493 40.16214 0.4531461      4.729573  2.581711       4.493373  -8.037338      62.86769 
1 1 1 2   19  22 o 70.81268 33.91438 -3.450198      4.251639  1.228593       4.249478  -14.90361      54.98820 
1 1 1 2   19  23 f 86.89615 37.90605 2.598764       3.771610  2.416922       3.931242  0.6963348      57.81905 
1 1 1 2   19  24 o 58.97914 29.10563 -2.717607      3.939651  -2.495623      3.754580  0.5462646      47.52593 
1 1 1 2   19  25 o 72.03785 33.65063 -0.1247684     3.878982  2.131725       3.576698  -7.097389      51.52695 
1 1 1 2   19  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   20  0  o 129.5183 56.77386 4.452569       8.177176  -2.671940      9.403997  19.67699       91.97765 
1 1 1 2   20  1  o 146.4967 60.21057 3.618371       8.585080  4.828151       8.998212  -6.978790      97.05770 
1 1 1 2   20  2  o 159.7792 61.56794 12.44565       8.685708  -0.6609124E-01 8.556759  62.88986       98.35811 
1 1 1 2   20  3  o 219.4093 61.60473 11.68052       8.826757  14.72487       8.630267  -20.34169      105.8662 
1 1 1 2   20  4  o 232.5214 60.13774 11.90557       8.864548  17.18440       8.617725  -36.75409      105.6607 
1 1 1 2   20  5  o 152.1605 57.10672 5.022951       8.504069  5.457733       6.490074  6.401260       93.64688 
1 1 1 2   20  6  o 139.0343 51.38424 4.730011       6.562497  4.014632       5.348829  11.24934       84.57862 
1 1 1 2   20  7  o 252.1630 42.70013 6.107952       7.242736  21.77914       5.857715  -130.3900      80.91946 
1 1 1 2   20  8  o 119.2013 49.44725 -4.810152      8.209070  4.238174       4.954393  -17.75649      80.58662 
1 1 1 2   20  9  o 175.9492 57.31171 2.967327       8.161544  11.53032       6.479537  -50.39381      92.38734 
1 1 1 2   20  10 o 146.8526 53.20174 -1.190067      8.077316  7.978642       5.265400  -38.84793      84.61778 
1 1 1 2   20  11 o 120.7766 51.85893 0.2345116      11.36757  1.734088       5.477967  27.38972       89.73135 
1 1 1 2   20  12 o 120.9088 50.04542 4.573734       7.181601  1.125803       5.430919  28.08965       82.78360 
1 1 1 2   20  13 o 100.2255 46.03136 -8.493700      9.882298  0.5511791      5.223096  4.697487       77.76960 
1 1 1 2   20  14 f 173.8167 64.92952 9.901820       6.653421  0.000000       0.000000  ?              ?        
1 1 1 2   20  15 o 118.3174 46.81258 0.8799136      5.190640  5.604056       4.999005  -27.82131      74.76059 
1 1 1 2   20  16 o 119.7160 45.85739 6.902209       5.062163  1.381827       4.510956  37.97021       73.69502 
1 1 1 2   20  17 o 98.88664 42.91281 0.5345149      4.878381  2.641970       4.880250  -10.30902      68.63455 
1 1 1 2   20  18 o 78.77344 37.44271 -3.309184      4.447077  1.214834       5.766205  -22.73018      62.78100 
1 1 1 2   20  19 o 115.3084 45.88293 3.538962       4.836709  5.553744       5.004310  -10.89960      71.17434 
1 1 1 2   20  20 o 98.46503 44.40836 11.56615       8.779069  0.1700788      4.577615  35.79089       73.12467 
1 1 1 2   20  21 o 94.53790 41.44482 2.078101       4.645421  3.775110       4.657597  -7.055519      63.27623 
1 1 1 2   20  22 o 104.1260 43.69373 6.673940       4.907082  3.623405       4.632705  12.12803       64.69769 
1 1 1 2   20  23 o 64.58578 31.72068 -4.771964      4.555069  0.2693531      4.238893  -10.53236      51.10698 
1 1 1 2   20  24 o 74.68658 34.88932 0.3986257      3.958786  2.811777       4.038654  -7.859230      52.83417 
1 1 1 2   20  25 o 66.47024 32.08351 -0.3281060     4.099834  0.9493189      3.868201  -2.786407      49.07685 
1 1 1 2   21  0  o 106.9731 50.41045 -2.675963      8.794132  -2.672831      8.542890  1.328667       82.99037 
1 1 1 2   21  1  o 102.3474 48.33696 2.358245       8.366472  -8.384952      7.763437  35.34546       81.93070 
1 1 1 2   21  2  o 134.6642 56.88478 0.6472235      8.064624  6.129457       8.259434  -23.63762      91.37178 
1 1 1 2   21  3  f 144.1340 59.29029 5.736560       8.550292  3.445292       8.504657  9.980591       94.77914 
1 1 1 2   21  4  o 112.5797 51.58676 -3.596994      8.148993  0.9668061      8.127680  -15.04757      85.23759 
1 1 1 2   21  5  o 159.0530 58.11361 3.836077       8.273986  8.834764       6.854971  -24.08170      93.12877 
1 1 1 2   21  6  o 111.7822 47.74561 5.059237       6.639279  -1.160712      5.301885  41.10899       79.68526 
1 1 1 2   21  7  o 98.65140 46.24355 0.000000       0.000000  -3.099108      5.038500  ?              ?        
1 1 1 2   21  8  o 98.66704 44.87703 10.97769       8.449431  -5.227757      4.919734  97.06195       84.15321 
1 1 1 2   21  9  o 118.2278 49.29616 1.530283       7.299564  2.555248       5.221819  7.266251       80.82261 
1 1 1 2   21  10 o 124.8154 52.99245 3.895333       8.363381  1.711604       6.335543  19.02473       86.59534 
1 1 1 2   21  11 o 145.6928 56.29171 7.693866       11.52655  5.249523       5.694674  21.62723       94.61436 
1 1 1 2   21  12 o 82.19723 39.52555 1.358593       7.063991  -7.275988      5.177581  42.97526       71.00586 
1 1 1 2   21  13 f 123.4687 51.87664 6.137686       10.56023  2.651318       5.329591  27.80624       87.11849 
1 1 1 2   21  14 o 104.3560 48.04005 0.3043380      7.065905  -0.6683140     7.280179  2.093681       77.55690 
1 1 1 2   21  15 o 92.75018 41.72759 3.372964       5.243592  -2.272381      4.845018  27.51905       68.32001 
1 1 1 2   21  16 o 106.8428 45.00898 4.177330       5.235918  1.744893       4.948556  12.91953       70.96820 
1 1 1 2   21  17 o 103.1691 44.39174 8.220243       5.329402  -1.781615      4.958957  47.48800       70.30166 
1 1 1 2   21  18 o 110.1476 45.34533 2.383794       5.009277  5.570113       4.976825  -15.90019      70.11177 
1 1 1 2   21  19 o 80.10117 37.64381 0.5009947      4.601074  -1.074670      4.967664  3.519325       59.97116 
1 1 1 2   21  20 o 92.25712 41.08496 3.188443       4.523452  1.960588       5.006499  4.112450       62.68279 
1 1 1 2   21  21 o 71.67564 34.65451 -0.3135378     4.633183  -1.236610      4.750539  1.946213       54.56928 
1 1 1 2   21  22 o 105.2228 45.60234 4.002672       5.359963  8.805176       5.641454  -14.83882      65.69677 
1 1 1 2   21  23 o 61.25873 30.58884 -4.114486      4.911209  -1.740981      4.623316  -3.107468      48.57223 
1 1 1 2   21  24 o 79.30449 36.72774 2.187455       4.258824  3.630600       4.308479  -4.258759      53.85431 
1 1 1 2   21  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   22  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   22  1  o 100.5623 48.17614 -8.755194      8.391914  1.608191       8.804122  -27.25060      80.37558 
1 1 1 2   22  2  o 113.7687 52.48263 2.055607       8.874023  -1.661625      8.390035  12.48857       84.42874 
1 1 1 2   22  3  o 126.1824 55.74530 2.038660       8.378569  3.474684       8.768224  -6.034393      88.36059 
1 1 1 2   22  4  o 124.5265 55.57159 6.495802       8.772966  -2.546341      8.690384  30.03513       89.02849 
1 1 1 2   22  5  o 124.9274 52.69822 6.472245       8.042037  1.031423       6.262174  30.79695       85.77578 
1 1 1 2   22  6  o 168.1788 53.54942 5.251491       7.042364  10.42269       5.735448  -35.63126      87.01269 
1 1 1 2   22  7  o 105.7450 46.39325 3.474916       7.948259  -0.4916952E-01 4.831345  32.60746       78.93163 
1 1 1 2   22  8  o 93.89192 43.57401 4.212839       8.186706  -3.824318      5.048061  49.12887       77.51644 
1 1 1 2   22  9  o 144.7434 52.35406 12.33076       7.216657  2.711191       5.295376  60.83530       86.23173 
1 1 1 2   22  10 o 119.6580 50.03226 -0.6927001     7.566302  4.983970       5.395470  -16.25482      79.32906 
1 1 1 2   22  11 o 89.94218 42.97818 -8.098302      11.91174  -2.400734      5.202765  23.36774       75.31783 
1 1 1 2   22  12 f 120.3166 50.49672 -4.337513      7.312887  8.393663       5.709910  -49.32817      78.19464 
1 1 1 2   22  13 o 182.2509 62.77296 0.000000       0.000000  13.13660       6.078936  ?              ?        
1 1 1 2   22  14 o 91.30946 43.77256 1.299783       7.366446  -4.918852      6.893236  17.29528       71.16328 
1 1 1 2   22  15 o 102.1580 45.26458 1.299214       5.872876  3.349871       5.520875  -6.974861      70.56550 
1 1 1 2   22  16 o 104.4255 44.97999 6.802343       5.280221  -0.6511999     5.283552  32.96672       70.18026 
1 1 1 2   22  17 o 100.7284 46.21390 -0.8097327     5.313543  12.80473       9.503704  -38.97421      75.88287 
1 1 1 2   22  18 o 88.22870 40.30445 -0.5754834     4.912232  3.540412       4.922939  -14.86395      62.86241 
1 1 1 2   22  19 o 88.26044 40.88774 3.086150       4.874365  0.3278379      5.900965  6.432808       62.27908 
1 1 1 2   22  20 o 86.43961 39.81665 4.482428       4.786058  0.3674047      5.102019  12.42471       59.89750 
1 1 1 2   22  21 o 96.99141 44.88299 3.706420       8.915756  6.352723       5.227943  -9.235504      63.90424 
1 1 1 2   22  22 o 66.23949 32.69645 -4.605281      4.724362  2.804693       5.009959  -15.18143      51.43391 
1 1 1 2   22  23 o 66.72646 33.04881 -0.9232393     5.246656  -0.2183020     5.001447  -0.7426834     50.34482 
1 1 1 2   22  24 o 59.41025 29.86736 -0.6391061     5.180783  -3.688455      4.694326  5.465359       46.40894 
1 1 1 2   23  0  o 128.5043 56.72404 3.797109       8.813132  5.653695       8.892797  -5.699539      87.34332 
1 1 1 2   23  1  o 115.5421 53.08033 3.129163       8.860248  0.1451460      8.532776  9.015495       83.59258 
1 1 1 2   23  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   23  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   23  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   23  5  o 136.4906 55.78691 4.252890       8.636721  6.964143       6.702252  -9.308533      86.47666 
1 1 1 2   23  6  o 128.3221 55.28547 0.2817417      11.11284  6.277960       6.553063  -10.53150      85.62027 
1 1 1 2   23  7  o 125.1570 54.13347 3.030601       13.54070  4.585648       5.958348  6.674088       86.37106 
1 1 1 2   23  8  o 83.82499 41.00567 3.125237       12.07110  -7.065315      5.531669  47.53864       76.25533 
1 1 1 2   23  9  o 93.57863 43.53257 0.2813201      7.514224  -0.9865066     5.295283  14.82988       71.51054 
1 1 1 2   23  10 o 132.2540 52.22042 -0.1939935     6.961214  10.28561       5.836133  -49.18758      79.64933 
1 1 1 2   23  11 o 98.87474 46.57229 3.635860       11.19555  -1.264172      5.899275  24.98786       77.09669 
1 1 1 2   23  12 f 89.92921 42.68033 3.141262       7.605318  -3.489557      5.661380  25.97128       70.47773 
1 1 1 2   23  13 o 100.8731 47.79675 0.000000       0.000000  0.4943319      5.650749  ?              ?        
1 1 1 2   23  14 o 116.8821 50.33216 -0.4554544     7.660342  7.957017       5.899756  -28.16222      76.04063 
1 1 1 2   23  15 o 82.72712 39.57542 -4.046939      6.364474  0.6017947      5.288295  -7.436653      63.45794 
1 1 1 2   23  16 o 115.5265 47.78852 5.452424       5.619299  5.502629       5.544043  -0.3278046     71.89046 
1 1 1 2   23  17 o 77.22027 38.00138 -3.747722      5.147934  1.638482       9.495810  -19.62305      62.43231 
1 1 1 2   23  18 o 67.21317 33.34678 -6.276212      5.188909  -0.5083802     5.411930  -12.27898      54.33806 
1 1 1 2   23  19 o 88.07256 41.03293 3.526961       5.181155  2.655838       5.815659  2.225029       60.67408 
1 1 1 2   23  20 o 66.96993 33.03475 -3.748279      4.669657  0.5167495      5.247157  -10.60442      52.54754 
1 1 1 2   23  21 o 59.04164 29.70899 -3.113004      4.788474  -4.814391      5.075488  1.543388       47.43436 
1 1 1 2   23  22 o 64.07921 31.86152 0.7489637      4.912512  -3.153311      4.968338  6.413895       49.11393 
1 1 1 2   23  23 o 67.27039 33.23996 1.297129       5.036553  0.5546177      5.104072  1.143532       49.22156 
1 1 1 2   24  0  o 81.87639 40.87238 -1.837710      8.754233  -15.04811      8.217855  23.27383       69.44537 
1 1 1 2   24  1  o 130.0299 57.28382 5.217629       8.944675  7.968938       9.028296  -7.634590      85.98237 
1 1 1 2   24  2  o 125.9942 56.04940 9.917469       9.571027  2.263451       8.205823  21.70778       85.66442 
1 1 1 2   24  3  o 104.3574 48.52282 1.332499       8.749023  0.5378092      6.796624  7.741272       76.79191 
1 1 1 2   24  4  o 87.83369 42.52215 0.1489413      8.214593  -5.464432      6.372302  21.51717       70.90104 
1 1 1 2   24  5  f 149.4549 58.65349 5.232030       8.747651  11.65866       7.315828  -28.07997      88.45737 
1 1 1 2   24  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   24  7  o 104.7506 51.55291 -5.236574      12.41794  -2.838721      11.24033  -0.6215973     81.15515 
1 1 1 2   24  8  o 95.35794 46.57175 -2.150856      7.984561  -6.659831      10.74996  -1.468719      74.89016 
1 1 1 2   24  9  o 79.70618 39.23172 -6.774689      7.520568  -4.346605      6.302493  1.650482       65.21906 
1 1 1 2   24  10 o 81.27550 39.99986 5.677251       8.872167  -10.11194      6.083131  44.56434       71.02349 
1 1 1 2   24  11 o 100.0610 48.52809 0.000000       0.000000  -0.8831009     6.633319  ?              ?        
1 1 1 2   24  12 o 109.2721 50.33628 6.162336       9.777106  2.360354       6.794720  10.98648       77.00961 
1 1 1 2   24  13 o 89.46481 43.85326 0.000000       0.000000  -2.071815      5.840184  ?              ?        
1 1 1 2   24  14 o 88.71590 42.44236 -0.2365757     7.815035  0.4938401      5.842249  3.013184       66.06070 
1 1 1 2   24  15 o 93.59458 46.18327 0.8740782      6.837106  0.000000       0.000000  ?              ?        
1 1 1 2   24  16 o 73.03015 35.81836 -0.5684919     5.547326  -3.462518      5.522559  6.141937       56.94482 
1 1 1 2   24  17 o 72.34512 35.40170 0.7980921E-01  5.430435  -2.341500      5.204625  5.759598       55.51062 
1 1 1 2   24  18 f 100.9441 44.93495 12.98610       5.882332  -0.2318480     5.482547  39.15275       66.41067 
1 1 1 2   24  19 o 73.38542 35.81085 -3.743427      5.174023  4.471620       5.496261  -17.30441      55.48128 
1 1 1 2   24  20 o 61.54578 30.98858 -3.636044      5.116827  -2.864437      5.746852  -2.709183      48.56548 
1 1 1 2   24  21 o 60.33356 30.32571 -0.4081401     4.887396  -5.327670      5.250568  6.062305       47.37360 
1 1 1 2   24  22 o 69.06065 34.19795 2.534817       5.583642  1.029894       5.366026  2.201233       49.86428 
1 1 1 2   25  0  o 101.1220 48.72743 0.7541310      9.248264  -0.4223965     8.932409  2.712257       75.32175 
1 1 1 2   25  1  o 123.0475 55.88527 -1.734805      9.552050  14.27226       9.034476  -37.33964      83.47282 
1 1 1 2   25  2  o 105.4600 49.78498 3.396479       9.467319  0.3290593      7.810067  9.378448       77.04786 
1 1 1 2   25  3  o 126.5580 55.06239 11.19444       9.566689  4.280648       7.118184  17.88990       83.23805 
1 1 1 2   25  4  o 96.58134 45.98088 -5.599117      9.246013  3.176327       6.566391  -11.36160      71.57295 
1 1 1 2   25  5  o 108.5014 49.84140 17.12091       11.56682  -0.3787756     6.131272  39.74447       80.98329 
1 1 1 2   25  6  o 92.73097 45.10009 -12.90621      13.60638  0.9364910      6.462763  -1.420753      71.10017 
1 1 1 2   25  7  o 113.6522 52.65292 7.271609       12.72866  3.974526       7.148563  6.700462       79.39649 
1 1 1 2   25  8  o 90.93190 43.17076 1.624087       7.866476  -0.8958737     5.772566  12.00053       68.54810 
1 1 1 2   25  9  o 102.9667 48.11610 5.162363       12.00710  2.148738       6.023862  10.18901       74.41399 
1 1 1 2   25  10 o 109.7923 53.34425 0.2811149      11.88230  9.249784       11.10120  -11.11910      78.04070 
1 1 1 2   25  11 o 120.1520 56.88024 14.15450       11.52512  6.527393       11.02857  10.14774       80.24964 
1 1 1 2   25  12 o 108.4420 52.92114 5.849503       11.86176  8.421358       11.43119  -3.017906      75.57342 
1 1 1 2   25  13 o 81.63494 40.81279 -11.29087      15.48167  -1.995348      6.603330  5.765083       63.88175 
1 1 1 2   25  14 o 77.94428 39.16916 -8.594627      10.23117  -1.637885      7.317518  -1.720673      60.71991 
1 1 1 2   25  15 o 79.66682 39.57792 -1.013912      8.614959  -0.9308784     6.813896  2.411301       60.27741 
1 1 1 2   25  16 f 80.40016 39.32841 1.010780       6.376676  0.2673227      6.715612  0.8377991      59.31633 
1 1 1 2   25  17 o 82.38807 39.84085 5.802136       6.657709  -0.6379256     5.836337  12.29060       59.51184 
1 1 1 2   25  18 o 59.41275 30.13394 -2.496973      5.705305  -8.709579      5.699793  7.423733       48.32442 
1 1 1 2   25  19 o 70.49564 34.88760 4.394941       5.755623  -3.045336      5.575188  11.63761       52.50537 
1 1 1 2   25  20 o 79.34084 38.56662 3.408804       5.435849  6.792571       6.829369  -3.436317      54.33066 
1 1 1 2   25  21 o 62.23270 32.07441 0.000000       0.000000  -6.321322      6.706408  ?              ?        
1 1 1 2   26  1  f 92.11953 45.03108 0.2724643      9.709722  -2.019596      7.698975  7.556198       70.13899 
1 1 1 2   26  2  o 107.9549 50.27776 5.284981       9.349881  3.375642       7.394271  4.759720       75.30581 
1 1 1 2   26  3  o 94.43227 45.59215 -11.50857      9.218348  7.763088       7.233730  -30.74364      70.87276 
1 1 1 2   26  4  o 108.7606 50.70619 5.388724       11.61599  4.846676       6.886496  0.5668182      75.06061 
1 1 1 2   26  5  o 116.9393 53.48743 -4.428087      13.92995  9.739236       6.853253  -23.88892      77.14648 
1 1 1 2   26  6  o 94.59177 45.59344 1.299389       14.25237  0.4824513      6.134072  10.63768       71.39666 
1 1 1 2   26  7  o 87.73550 43.17619 -16.48394      11.36403  3.182283       6.811277  -15.03675      67.24007 
1 1 1 2   26  8  o 81.20393 39.61117 -0.1684124     7.945075  -2.629108      5.636192  11.62281       63.40277 
1 1 1 2   26  9  o 86.93839 41.59839 -2.251807      7.298278  2.166577       5.713282  -6.141373      64.16333 
1 1 1 2   26  10 o 97.93540 46.20089 -7.445468      12.09777  6.021204       5.721203  -15.52045      68.18400 
1 1 1 2   26  11 o 83.46799 40.92671 -1.532238      11.72289  -0.3646637     5.662884  7.293640       63.65664 
1 1 1 2   26  12 f 76.32625 37.87492 -6.294992      7.852425  -0.3459944     6.146532  -4.459198      59.26746 
1 1 1 2   26  13 o 74.54971 37.26581 -6.604026      8.365300  -1.454904      6.347819  -1.863182      58.21814 
1 1 1 2   26  14 o 80.88596 41.46288 -21.06442      14.17317  6.802139       12.82345  -11.73339      62.25484 
1 1 1 2   26  15 o 85.97723 43.54041 -5.512259      12.43060  12.98145       10.93281  -11.36523      62.22100 
1 1 1 2   26  16 o 77.30573 39.52564 -14.13342      12.37798  11.32599       10.74921  -12.10619      57.81168 
1 1 1 2   26  17 o 80.16971 40.89117 21.77356       12.78646  -5.896672      10.78232  12.83472       58.31494 
1 1 1 2   26  18 o 71.40571 35.77986 1.385276       6.135672  0.5771114      7.675482  0.1975632      52.43167 
1 1 1 2   26  19 o 72.71579 36.45766 4.291956       6.772689  2.380975       7.448491  2.015007       51.85918 
1 1 1 2   27  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   27  4  o 91.66545 44.82370 11.82181       14.27900  -1.364158      6.600844  18.14098       69.66290 
1 1 1 2   27  5  o 106.7168 50.50841 15.41195       14.84898  4.494360       6.925048  6.956123       73.49756 
1 1 1 2   27  6  o 79.85905 40.16161 -5.823929      13.21772  -4.783819      7.193627  9.214874       63.40581 
1 1 1 2   27  7  o 93.06965 45.26891 11.51803       11.10702  -0.9654213     6.939281  17.66702       68.58051 
1 1 1 2   27  8  o 82.52676 40.99806 -2.960026      10.90869  -0.4984798     6.739954  2.754677       62.67138 
1 1 1 2   27  9  o 86.63277 41.58977 7.004078       7.612094  -0.8350314     5.734301  16.38223       63.29775 
1 1 1 2   27  10 o 78.09805 38.88721 -10.20004      12.18324  0.7234514      5.857908  -1.530251      59.35620 
1 1 1 2   27  11 o 94.29323 47.18028 5.260528       11.98469  10.69751       11.22834  -4.414116      65.94478 
1 1 1 2   27  12 o 77.95126 38.55919 4.352991       7.945202  -2.074673      6.165521  10.47986       58.38932 
1 1 1 2   27  13 o 71.10103 35.80298 -1.636051      8.442555  -3.358185      6.414543  4.907928       54.99224 
1 1 1 2   27  14 o 77.53864 38.47319 -2.751767      7.836249  4.374136       6.471798  -8.062744      56.69952 
1 1 1 2   27  15 o 73.98137 36.99667 0.8401705      7.870495  0.8799504      6.489120  0.6948547      54.51379 
1 1 1 2   27  16 o 70.48405 35.07381 3.935943       6.354203  -1.584689      5.758539  7.640656       52.02850 
1 1 1 2   27  17 o 79.58647 39.60591 7.536353       12.88154  6.496560       6.007609  -4.398399      54.62044 
1 1 1 2   28  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 2   28  9  o 83.21016 42.52242 0.6095790E-01  9.283596  0.000000       0.000000  ?              ?        
1 1 1 2   28  10 o 81.06966 40.24267 2.014772       12.60167  1.761094       6.088893  2.026337       59.25836 
1 1 1 2   28  11 o 88.46797 43.44767 0.2574762      12.35811  7.746801       6.595906  -9.691528      61.00979 
1 1 1 2   28  12 f 83.84811 43.14223 0.000000       0.000000  10.60403       11.46204  ?              ?        
1 1 1 2   28  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -25 0  o 79.41749 39.22565 -2.388136      6.251653  -5.770025      8.210629  -1.048706      62.83275 
1 1 1 3   -25 1  o 113.2215 50.86050 8.412788       6.673579  1.836847       8.565422  17.80179       74.62022 
1 1 1 3   -24 0  o 85.20232 41.40320 -2.595503      6.052654  -2.396781      8.306084  -8.826111      67.00910 
1 1 1 3   -24 1  o 76.35448 37.87009 -1.566489      5.896722  -13.00284      8.345631  7.797073       62.07848 
1 1 1 3   -24 2  f 79.81654 39.44084 0.7841057      6.218480  -15.51447      8.649559  16.89917       64.31972 
1 1 1 3   -24 3  o 94.39220 44.66080 0.8691874      6.151911  -0.3242370     8.101692  -2.266266      69.91429 
1 1 1 3   -24 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -23 0  o 102.7274 47.03941 -1.522949      5.935486  7.410257       8.032812  -32.37090      75.94894 
1 1 1 3   -23 1  o 102.5722 48.74481 0.3989089      5.962136  0.000000       0.000000  ?              ?        
1 1 1 3   -23 2  o 79.93118 39.38133 -3.518219      6.112924  -8.959546      8.231214  -0.5975037     65.40811 
1 1 1 3   -23 3  o 119.3155 51.99753 3.247293       6.293499  7.649596       8.757166  -15.37875      80.46621 
1 1 1 3   -23 4  o 96.17286 45.30071 -1.163355      6.266777  2.295503       8.021883  -14.14855      72.16711 
1 1 1 3   -23 5  o 115.2526 50.53607 6.040370       6.207447  1.225764       7.949447  13.91511       77.05701 
1 1 1 3   -23 6  o 93.43188 45.55191 -3.905108      6.883187  1.663962       12.74696  -22.43641      74.88967 
1 1 1 3   -22 0  f 118.3873 55.52008 -2.760819      9.829948  6.436963       10.82344  -21.89787      87.26170 
1 1 1 3   -22 1  o 102.1544 46.94320 3.631780       6.037657  -5.139794      7.965796  18.44637       74.70074 
1 1 1 3   -22 2  o 92.29929 43.79237 -2.430046      5.898800  -0.5068964     8.128696  -15.82438      72.27799 
1 1 1 3   -22 3  o 132.0578 53.52934 4.148624       5.924721  9.739585       8.325455  -22.63816      84.22828 
1 1 1 3   -22 4  o 101.7717 46.52728 -1.121219      5.714680  4.911928       7.977433  -27.18114      75.89915 
1 1 1 3   -22 5  o 103.8310 48.76274 -1.700343      6.353814  7.033599       12.32576  -32.28612      81.46264 
1 1 1 3   -22 6  o 97.81615 46.11903 0.3504216      5.642688  -3.686493      12.46769  -11.98869      75.28262 
1 1 1 3   -22 7  o 92.50525 44.55643 -2.696218      5.725723  0.4938426      15.20969  -29.27691      76.72535 
1 1 1 3   -21 0  o 143.7849 58.30435 7.907440       6.897425  3.477067       10.28913  13.33762       90.54269 
1 1 1 3   -21 1  o 105.2125 48.40674 -0.7522274     5.899258  1.140574       10.45536  -25.14080      81.50549 
1 1 1 3   -21 2  o 107.3912 52.54414 -13.13288      10.87435  2.534040       12.73300  -31.96571      87.58978 
1 1 1 3   -21 3  o 109.6035 53.49548 -7.283116      10.95951  -2.119397      13.15096  -14.57539      86.77816 
1 1 1 3   -21 4  o 156.7060 69.32006 8.208189       12.03118  14.99207       15.04563  -12.33745      103.1614 
1 1 1 3   -21 5  f 134.3885 56.04173 5.321794       6.130590  8.154255       12.33438  -11.29277      89.15116 
1 1 1 3   -21 6  o 119.1552 52.07607 3.510082       5.671983  2.930742       12.39567  -11.13487      84.04758 
1 1 1 3   -21 7  o 111.3837 48.07313 0.9374059      5.364632  5.989052       7.111729  -26.13120      77.34090 
1 1 1 3   -21 8  o 118.7616 52.08419 5.254095       6.492631  0.9614597      8.679570  9.903572       80.63048 
1 1 1 3   -21 9  o 98.72866 47.64909 -2.367286      6.202083  0.000000       0.000000  ?              ?        
1 1 1 3   -20 0  o 109.9065 47.37695 -0.3570165     5.151663  4.198947       7.002319  -33.45029      79.20615 
1 1 1 3   -20 1  o 168.4239 54.56124 6.681997       5.767685  11.06943       7.638047  -27.44896      91.30241 
1 1 1 3   -20 2  o 125.9142 54.78521 1.427727       6.817183  5.691188       10.12046  -25.91845      89.52747 
1 1 1 3   -20 3  o 149.5771 59.35398 7.218231       7.033790  5.821398       10.27580  2.148682       93.71360 
1 1 1 3   -20 4  o 116.6841 54.47810 -0.9146866     6.877383  0.000000       0.000000  ?              ?        
1 1 1 3   -20 5  o 144.3714 57.55653 8.954620       5.887016  -11.27277      15.05565  34.61002       88.61375 
1 1 1 3   -20 6  o 129.7104 60.10017 7.620740       10.85122  -4.053423      12.25674  22.42159       93.57260 
1 1 1 3   -20 7  o 124.7735 57.77617 -3.070370      9.554163  11.29201       12.06773  -36.99629      92.10250 
1 1 1 3   -20 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -20 9  o 77.61137 38.50412 -7.669062      5.665730  -7.881560      10.55153  -26.44625      68.68834 
1 1 1 3   -20 10 o 112.1136 50.49832 1.551115       6.255369  3.294409       9.527542  -14.02415      80.79825 
1 1 1 3   -19 0  o 102.5311 45.76687 2.368299       5.215996  -5.818042      7.036345  19.06242       75.54729 
1 1 1 3   -19 1  o 195.2907 50.03822 9.140537       5.330782  11.96277       7.300950  -18.11632      90.44216 
1 1 1 3   -19 2  o 117.5604 49.42078 -0.2735890     5.436875  5.563456       7.122992  -40.43670      82.41364 
1 1 1 3   -19 3  o 165.2949 54.72676 5.657138       5.735805  11.16927       7.793951  -37.58444      91.84444 
1 1 1 3   -19 4  o 109.0076 49.66536 0.4511760      5.748854  -5.678608      12.67388  -19.34999      85.15461 
1 1 1 3   -19 5  o 107.6899 48.70451 -1.787253      5.232748  13.31704       14.50546  -75.66204      94.73214 
1 1 1 3   -19 6  o 96.30622 44.85294 -0.7979738     5.634855  -4.320394      8.047724  -5.314598      75.06136 
1 1 1 3   -19 7  o 102.7509 47.42815 5.085021       6.159585  -12.50413      8.508868  39.91350       76.95438 
1 1 1 3   -19 8  o 116.5464 56.60944 0.000000       0.000000  -4.455408      9.117621  ?              ?        
1 1 1 3   -19 9  o 121.4498 53.26002 4.569914       6.686830  -0.7646713E-01 9.333059  7.701164       83.87145 
1 1 1 3   -19 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -19 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -19 12 o 110.0881 50.78039 -0.5017886     6.765236  4.616034       10.61937  -23.90015      82.60985 
1 1 1 3   -18 0  o 184.5835 50.64971 12.17206       5.408338  3.058791       6.764296  68.36392       83.83586 
1 1 1 3   -18 1  o 206.5630 49.57682 10.87636       5.567353  10.68807       7.335284  3.981384       90.75343 
1 1 1 3   -18 2  o 211.6569 49.62316 9.634664       5.595792  14.83429       7.698945  -37.69154      92.32999 
1 1 1 3   -18 3  o 206.4925 52.41944 11.95576       5.911680  9.816437       8.004890  19.60600       93.57839 
1 1 1 3   -18 4  o 255.4968 50.90949 21.17463       6.111768  -0.6767359     12.67240  127.3333       89.60496 
1 1 1 3   -18 5  o 240.1862 51.33619 15.03410       5.687235  17.29609       13.55646  19.58244       104.8534 
1 1 1 3   -18 6  o 141.9943 51.47522 1.385959       4.977292  13.85626       7.401104  -87.21372      86.23774 
1 1 1 3   -18 7  o 96.43155 43.79454 -1.751349      4.880313  1.256071       7.146032  -29.16759      74.93502 
1 1 1 3   -18 8  o 176.3295 52.28670 10.46973       5.830781  7.051285       6.477636  26.48856       87.64019 
1 1 1 3   -18 9  o 110.9893 49.92923 6.366420       6.250241  -10.86215      8.789664  43.26782       79.64581 
1 1 1 3   -18 10 o 124.8238 53.07491 9.105269       6.166133  -8.238666      8.955923  53.91902       81.76379 
1 1 1 3   -18 11 o 95.52138 45.57791 -2.481201      6.472628  -4.907369      9.346041  -9.816994      76.15459 
1 1 1 3   -18 12 o 103.5275 48.54113 -0.9526027     6.520712  -1.036960      10.62372  -16.02267      79.97587 
1 1 1 3   -18 13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -17 0  o 275.0036 36.52508 19.53573       5.584291  14.63437       6.728117  46.83910       78.16485 
1 1 1 3   -17 1  o 300.3150 37.22020 10.76251       5.974133  39.48832       8.053345  -202.2794      76.62340 
1 1 1 3   -17 2  o 259.4004 41.18718 15.76000       5.806526  16.32762       7.240798  1.602493       85.02733 
1 1 1 3   -17 3  o 199.6086 51.46946 9.233110       5.805564  11.27610       7.265306  -16.53362      92.00027 
1 1 1 3   -17 4  o 125.6678 52.48110 3.505588       5.214575  -8.405737      12.71714  -8.001129      90.27414 
1 1 1 3   -17 5  o 139.7923 51.39153 4.741072       5.194228  3.795124       6.846125  -2.735764      84.63380 
1 1 1 3   -17 6  o 160.4793 52.78582 10.84258       5.459758  -0.1862404     6.978689  68.72180       82.80766 
1 1 1 3   -17 7  o 124.3860 48.59545 7.981953       4.955694  -4.078520      6.065877  64.85477       75.59696 
1 1 1 3   -17 8  o 187.9938 56.92679 10.29686       5.096645  0.000000       0.000000  ?              ?        
1 1 1 3   -17 9  f 103.6464 47.00453 -1.051919      5.533534  0.1297092      8.409181  -23.50487      79.75287 
1 1 1 3   -17 10 o 122.3128 52.86926 2.785014       6.162435  1.055605       9.659874  -8.524857      86.16750 
1 1 1 3   -17 11 o 96.31742 45.92331 -8.934499      6.156454  13.87489       11.07597  -89.68581      88.71579 
1 1 1 3   -17 12 o 124.3694 53.68086 1.730500       5.943163  8.770923       12.17526  -37.90596      91.19254 
1 1 1 3   -17 13 o 99.14444 46.87004 -3.977845      5.915222  7.179218       12.87442  -51.10316      84.80253 
1 1 1 3   -17 14 o 112.7461 51.12356 0.1790829      6.077518  6.353904       12.49892  -33.04140      86.28751 
1 1 1 3   -16 0  o 183.2268 43.17735 9.607239       4.717781  6.385494       4.943140  31.38902       77.74557 
1 1 1 3   -16 1  f 377.1546 28.35295 28.27199       5.968407  37.99659       7.442565  -54.63797      58.22546 
1 1 1 3   -16 2  o 173.3958 51.08591 5.281035       5.205652  10.60868       6.864678  -48.72026      88.13580 
1 1 1 3   -16 3  o 89.80898 42.83150 -2.639346      6.080200  -9.883862      7.359212  10.32820       74.73016 
1 1 1 3   -16 4  o 390.5167 33.54561 32.53573       6.240543  46.53163       13.86262  -42.50793      87.59577 
1 1 1 3   -16 5  o 122.2557 49.00700 3.614902       4.989083  -0.3411257     6.678892  9.171722       80.52816 
1 1 1 3   -16 6  o 177.4184 51.43428 10.27533       5.256427  3.581521       7.146699  45.30995       85.85509 
1 1 1 3   -16 7  o 198.1323 46.26232 11.00626       4.975602  7.950524       6.483453  28.63396       84.32446 
1 1 1 3   -16 8  o 166.1633 48.54246 10.24060       4.832658  2.349944       5.980137  60.48222       79.16599 
1 1 1 3   -16 9  o 122.6220 49.56963 5.849195       5.119535  -2.888534      6.972832  34.20247       78.90633 
1 1 1 3   -16 10 o 110.0309 50.15778 2.802493       6.401075  -9.448485      9.736070  17.23479       82.13801 
1 1 1 3   -16 11 o 130.7369 54.54440 4.952153       5.905409  -1.902257      11.00912  4.360809       88.42142 
1 1 1 3   -16 12 o 106.8795 48.69977 -0.1088158     5.624452  -1.262568      11.29927  -24.64637      83.35698 
1 1 1 3   -16 13 o 112.8645 50.86483 2.658267       6.085996  -5.164332      10.89878  1.243492       82.58786 
1 1 1 3   -16 14 o 107.4687 48.89220 -1.614172      6.196424  4.409228       8.715785  -30.98954      81.11074 
1 1 1 3   -16 15 o 170.2598 75.05190 0.000000       0.000000  14.36916       10.92275  ?              ?        
1 1 1 3   -15 0  o 261.0833 30.96964 12.48595       4.735126  19.11006       5.124103  -58.25972      64.56799 
1 1 1 3   -15 1  f 261.5598 29.74937 14.91437       4.512786  16.36496       5.008205  -11.08018      61.92564 
1 1 1 3   -15 2  o 280.5188 31.93826 18.69098       4.950377  16.85443       6.164813  20.80692       69.01356 
1 1 1 3   -15 3  o 259.8487 36.70695 12.78702       5.151653  20.29332       6.627620  -60.10709      75.43806 
1 1 1 3   -15 4  o 286.9038 39.91869 17.65630       5.520359  24.27317       10.51497  -31.83539      91.79479 
1 1 1 3   -15 5  x ?        ?        -14.43398      5.393226  -30.03541      6.996660  ?              ?        
1 1 1 3   -15 6  o 275.5320 46.62863 18.17015       5.434602  0.000000       0.000000  ?              ?        
1 1 1 3   -15 7  o 176.8142 49.83465 12.19022       5.240084  1.262485       6.305457  82.77611       80.18690 
1 1 1 3   -15 8  o 150.6801 49.74831 5.341305       4.859569  5.683889       6.172400  -8.380325      83.41409 
1 1 1 3   -15 9  o 192.6076 48.95659 4.690508       5.165458  18.19654       6.942584  -111.3914      84.02164 
1 1 1 3   -15 10 o 150.4154 59.32930 5.151503       5.767419  0.000000       0.000000  ?              ?        
1 1 1 3   -15 11 o 125.7089 52.69429 4.004587       5.469928  -2.995085      10.92808  -1.422348      87.09512 
1 1 1 3   -15 12 o 190.1439 58.45874 14.36915       6.293357  0.8550404      10.14488  72.90016       91.77470 
1 1 1 3   -15 13 o 130.0970 54.00687 0.7863576      5.913450  11.55969       9.816257  -58.58370      91.94983 
1 1 1 3   -15 14 o 90.70656 43.16330 -1.400040      5.929557  -6.680997      7.736191  2.531677       72.28738 
1 1 1 3   -15 15 o 106.8951 47.88686 0.6700121      5.384148  1.074078       9.083858  -18.68736      79.57290 
1 1 1 3   -15 16 o 119.9756 52.11433 1.254588       6.098131  6.539906       9.293215  -28.58891      85.16658 
1 1 1 3   -14 0  o 163.8450 45.26483 3.918413       5.347004  7.919890       4.321072  -32.15857      77.46869 
1 1 1 3   -14 1  o 251.8570 30.45336 13.57588       4.362906  15.46754       5.030678  -15.32581      63.25363 
1 1 1 3   -14 2  o 347.3430 24.63140 26.24729       4.917340  27.93011       5.718358  -9.163513      50.54724 
1 1 1 3   -14 3  o 254.3948 34.22380 15.49271       4.738291  13.81096       6.014919  19.99597       72.86011 
1 1 1 3   -14 4  o 133.3340 49.29571 4.303199       4.267988  0.6101690E-01  8.526204  -8.026611      84.85590 
1 1 1 3   -14 5  o 198.0765 46.24992 12.85424       4.867819  2.781949       6.734149  78.89235       79.84640 
1 1 1 3   -14 6  o 363.7411 36.57882 30.20133       5.756955  0.000000       0.000000  ?              ?        
1 1 1 3   -14 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -14 8  o 133.0809 49.36668 6.475375       4.875317  -1.274073      6.203789  41.45547       79.11352 
1 1 1 3   -14 9  o 133.4709 53.22855 3.470631       6.191661  2.144727       7.186426  0.4835815      87.31535 
1 1 1 3   -14 10 o 181.4113 55.45062 11.08588       5.695787  2.048756       9.050025  47.88832       90.98635 
1 1 1 3   -14 11 o 131.3881 53.43193 1.040344       5.579391  8.745472       9.632215  -58.84570      92.88442 
1 1 1 3   -14 12 o 103.3016 47.22056 2.238251       5.616185  -10.85222      9.126548  16.48582       78.02432 
1 1 1 3   -14 13 o 105.3074 47.74295 -1.152973      5.841593  -0.1370186     8.234089  -20.27615      80.50289 
1 1 1 3   -14 14 o 117.1671 50.39221 6.341690       6.205682  -3.985407      7.106092  40.52700       80.71725 
1 1 1 3   -14 15 o 96.73108 44.84101 -1.558703      5.575662  -1.318449      7.774693  -15.21465      75.19649 
1 1 1 3   -14 16 o 93.74267 44.20713 -4.765032      5.987753  1.562547       7.703273  -30.41837      75.14761 
1 1 1 3   -14 17 o 149.1059 52.63958 6.113575       5.545000  7.968202       6.768537  -10.83032      85.01008 
1 1 1 3   -13 0  o 340.9573 21.03862 24.67403       4.483872  26.92192       4.374275  -15.49518      42.71055 
1 1 1 3   -13 1  o 127.8747 42.76797 4.046319       3.732713  2.862876       4.303430  6.229797       71.27981 
1 1 1 3   -13 2  f 145.7876 41.77540 7.293761       3.782041  2.044604       4.193934  49.79147       69.38808 
1 1 1 3   -13 3  o 427.6511 21.57833 39.66705       5.250606  41.89262       6.304529  -10.07693      44.13481 
1 1 1 3   -13 4  o 519.4748 23.07251 60.91228       6.159075  57.49133       9.999684  23.41803       53.51918 
1 1 1 3   -13 5  o 313.2921 34.41431 22.37560       4.651453  0.000000       0.000000  ?              ?        
1 1 1 3   -13 6  o 411.8475 30.42175 38.25438       5.456892  0.000000       0.000000  ?              ?        
1 1 1 3   -13 7  o 182.0691 47.72644 10.40185       4.929716  4.005924       6.194058  50.65752       81.74605 
1 1 1 3   -13 8  x ?        ?        -17.24040      5.088536  -13.31841      6.543066  -23.72847      56.81635 
1 1 1 3   -13 9  o 162.2192 64.14410 0.000000       0.000000  4.612300       6.756685  ?              ?        
1 1 1 3   -13 10 o 176.4783 57.05816 9.303377       5.813638  2.712708       10.07319  22.12172       95.69193 
1 1 1 3   -13 11 f 235.9576 50.35005 12.94111       6.101308  16.34625       9.011982  -17.43520      97.66514 
1 1 1 3   -13 12 o 173.0678 55.02626 3.881685       5.770528  15.59189       8.086849  -85.67323      92.83286 
1 1 1 3   -13 13 o 326.6245 36.25491 22.80796       6.884708  29.58657       7.614482  -43.41537      78.27326 
1 1 1 3   -13 14 o 87.65150 41.44910 0.6548542      5.667262  -8.501725      6.286920  26.30479       70.68107 
1 1 1 3   -13 15 o 122.1168 50.75077 5.814660       5.768528  -1.812285      7.111806  29.64124       80.84429 
1 1 1 3   -13 16 o 146.7436 53.91458 4.936991       5.669469  8.506396       7.641702  -22.57730      87.86170 
1 1 1 3   -13 17 o 85.34322 40.49951 2.714347       5.532291  -9.562746      6.063767  36.89316       68.61777 
1 1 1 3   -13 18 o 107.0256 47.04716 3.017454       5.547986  -0.9558227     6.667312  10.80447       75.44193 
1 1 1 3   -12 0  o 125.6032 38.41570 5.913063       3.452697  1.775776       3.115895  47.15106       63.85630 
1 1 1 3   -12 1  o 407.2052 19.37196 40.06782       4.909247  33.56979       4.849858  36.67056       39.22017 
1 1 1 3   -12 2  o 617.4967 17.90300 89.69881       6.823717  78.72795       6.877463  40.83624       36.08346 
1 1 1 3   -12 3  f 527.7914 25.01687 61.93978       5.775090  0.000000       0.000000  ?              ?        
1 1 1 3   -12 4  o 426.0131 23.57084 42.55794       5.131265  34.23720       8.460211  53.79886       58.25258 
1 1 1 3   -12 5  o 701.8494 24.68237 109.4031       7.586744  0.000000       0.000000  ?              ?        
1 1 1 3   -12 6  o 149.5140 44.93502 6.889606       4.057827  2.450978       5.136705  33.23547       75.03450 
1 1 1 3   -12 7  o 349.6735 32.16926 27.68970       4.878808  0.000000       0.000000  ?              ?        
1 1 1 3   -12 8  o 508.8778 21.68996 29.48812       5.516985  149.4966       9.997537  -457.9487      45.07320 
1 1 1 3   -12 9  o 119.2973 52.02282 -5.184198      9.364902  1.593335       6.119164  0.6496735      87.98790 
1 1 1 3   -12 10 o 114.1087 49.11418 -1.516171      5.152717  5.007901       8.800261  -64.45773      88.14114 
1 1 1 3   -12 11 o 226.4492 49.22808 12.35906       5.870660  12.96332       8.082608  -1.744156      93.58891 
1 1 1 3   -12 12 o 169.8000 52.03757 7.972520       5.710751  6.286436       6.335443  11.39648       87.67829 
1 1 1 3   -12 13 f 108.1488 46.70399 -0.5928066     5.405385  1.846656       6.104544  -18.54427      77.64922 
1 1 1 3   -12 14 o 116.2228 48.47561 2.776600       5.431120  0.7470750      6.282664  4.960976       78.96446 
1 1 1 3   -12 15 o 153.8410 53.36000 5.632771       5.513377  7.498869       7.281792  -15.89024      88.29788 
1 1 1 3   -12 16 o 147.5305 54.20982 4.370353       5.718044  8.938783       7.760487  -30.21889      89.02665 
1 1 1 3   -12 17 o 139.4281 53.45590 4.989753       6.199589  5.672376       6.792657  -5.120178      85.48527 
1 1 1 3   -12 18 o 91.32855 42.76044 -3.707316      5.482390  0.9221262      6.876284  -25.44491      72.27904 
1 1 1 3   -12 19 o 159.3611 55.04958 8.559206       6.351306  7.683604       6.910713  6.076660       88.29173 
1 1 1 3   -11 0  f 100.7853 44.15415 2.888394       6.787910  -1.697363      4.460385  46.70657       77.55518 
1 1 1 3   -11 1  f 415.4412 25.44098 39.81699       6.742812  38.07300       6.326788  8.283173       51.95352 
1 1 1 3   -11 2  o 205.5015 43.34626 8.929875       5.403178  11.26360       5.301282  -22.36703      81.24303 
1 1 1 3   -11 3  o 143.1540 40.03685 4.099100       3.425764  5.800069       4.036025  -21.01245      69.49522 
1 1 1 3   -11 4  o 578.8928 23.82391 74.45079       6.036476  0.000000       0.000000  ?              ?        
1 1 1 3   -11 5  o 502.6817 18.90494 54.59155       5.256579  57.93504       6.809295  -13.13974      39.07395 
1 1 1 3   -11 6  f 565.3751 18.06535 79.72626       6.289542  61.19238       6.366432  75.47327       36.70359 
1 1 1 3   -11 7  o 662.2401 25.37742 97.50926       7.357999  0.000000       0.000000  ?              ?        
1 1 1 3   -11 8  o 365.2598 25.35767 34.39900       5.230210  23.05862       6.351350  77.42172       56.76596 
1 1 1 3   -11 9  o 236.4622 34.80730 12.22906       4.458333  13.83995       5.660050  -11.79169      72.04853 
1 1 1 3   -11 10 o 494.9666 22.87973 57.14177       6.622662  50.99958       7.464538  30.34024       46.99748 
1 1 1 3   -11 11 f 219.7064 50.63029 15.13656       6.296916  7.001247       7.339354  65.06487       90.08437 
1 1 1 3   -11 12 o 157.8606 51.63997 2.681365       5.434231  10.18951       6.310547  -61.72462      85.30289 
1 1 1 3   -11 13 o 135.4582 49.79223 1.424664       5.047746  7.506096       6.082165  -49.35757      82.13519 
1 1 1 3   -11 14 o 154.5523 51.40884 2.005123       5.295425  11.70058       6.382154  -76.18997      84.09228 
1 1 1 3   -11 15 o 176.5026 54.39027 6.381392       5.680856  12.82847       7.970911  -44.73499      93.31462 
1 1 1 3   -11 16 o 385.8732 29.28355 34.40529       6.536825  35.71231       7.470552  -0.2506409     62.10091 
1 1 1 3   -11 17 o 190.5608 49.64319 5.132093       5.423750  17.53428       6.599895  -96.08995      84.56372 
1 1 1 3   -11 18 o 87.43565 41.40821 -1.599007      5.594111  -4.985216      6.466215  4.122437       69.67474 
1 1 1 3   -11 19 o 95.28314 44.17781 3.491370       6.418355  -5.485276      6.046004  34.82042       73.75723 
1 1 1 3   -11 20 o 104.6985 47.71809 -0.6617564     5.467354  3.260963       10.38735  -32.15468      81.51495 
1 1 1 3   -10 0  o 106.4363 40.99128 -0.5133376     3.786901  4.450174       3.853584  -40.90178      66.68281 
1 1 1 3   -10 1  o 99.40217 40.54187 1.698730       3.890213  0.4965539      4.001145  7.480766       66.95177 
1 1 1 3   -10 2  o 166.4117 44.48380 6.681754       4.275927  6.903491       5.226383  -3.984207      78.38323 
1 1 1 3   -10 3  o 291.5544 22.28897 21.23056       3.771734  16.31971       4.276826  41.79102       47.54987 
1 1 1 3   -10 4  o 602.2279 23.52784 85.09075       8.849105  76.97225       8.697824  30.73358       47.61413 
1 1 1 3   -10 5  o 771.3958 25.59806 131.9104       11.66260  133.3246       12.89395  -1.753662      51.93204 
1 1 1 3   -10 6  o 769.9301 25.08293 144.1674       12.37671  120.5837       11.58947  69.03070       50.56541 
1 1 1 3   -10 7  o 102.2370 41.11379 0.2406971      3.564286  2.719688       4.622764  -30.99700      69.40697 
1 1 1 3   -10 8  o 758.6201 18.45788 124.6949       8.257545  129.8272       9.189036  -14.38495      37.25140 
1 1 1 3   -10 9  o 197.2660 38.01713 10.29523       4.071843  7.176241       5.051800  32.20871       73.25378 
1 1 1 3   -10 10 o 378.3764 22.99505 34.48306       5.211155  28.94280       5.548271  34.83047       47.23387 
1 1 1 3   -10 11 o 144.4508 53.07246 3.961206       5.700016  4.213324       6.968675  -10.87007      88.10172 
1 1 1 3   -10 12 o 291.2517 36.61959 25.34893       6.619569  14.15981       6.330396  89.12059       76.76888 
1 1 1 3   -10 13 o 732.9242 21.30247 117.7363       9.283940  121.9889       10.11970  -11.31537      43.10472 
1 1 1 3   -10 14 o 103.6736 45.15633 -1.975446      4.932106  2.959103       6.159131  -37.94118      76.73602 
1 1 1 3   -10 15 o 181.6089 51.71423 11.88141       5.620855  3.814997       6.742146  60.20122       85.57129 
1 1 1 3   -10 16 f 144.7717 50.01711 3.785569       5.108057  7.429334       5.895232  -29.00777      82.39822 
1 1 1 3   -10 17 o 247.9261 39.72704 12.96976       5.646871  18.35739       6.198688  -44.02397      81.78771 
1 1 1 3   -10 18 f 160.5062 50.74192 10.41600       5.603087  4.107742       5.709991  46.94458       82.87597 
1 1 1 3   -10 19 o 147.5508 52.24845 4.659721       6.194305  7.615228       5.786436  -18.48637      84.10089 
1 1 1 3   -10 20 o 86.10603 40.17129 -4.572721      5.149869  1.400853       5.403810  -25.22628      67.52476 
1 1 1 3   -9  0  f 222.8739 23.11896 11.84400       3.496497  10.71368       2.889415  9.627731       48.23244 
1 1 1 3   -9  1  o 422.9698 15.86917 38.47578       4.372144  40.51699       3.969594  -11.86234      32.19971 
1 1 1 3   -9  2  o 370.5193 16.98877 29.14784       4.048676  31.60574       3.756375  -15.99158      34.53386 
1 1 1 3   -9  3  o 116.1843 38.03915 1.449292       2.954989  5.165993       3.413606  -42.80347      63.02591 
1 1 1 3   -9  4  o 543.8223 22.26730 67.04846       7.089767  65.03543       7.980813  11.21906       45.54490 
1 1 1 3   -9  5  o 262.1445 42.44715 16.30516       4.714042  0.000000       0.000000  ?              ?        
1 1 1 3   -9  6  f 367.6203 26.97067 30.90749       5.141984  28.92070       7.957351  21.77069       62.72133 
1 1 1 3   -9  7  o 272.1499 27.83480 19.31210       3.880710  10.00945       6.111175  87.81012       69.53147 
1 1 1 3   -9  8  o 419.2096 31.97347 41.86504       8.621785  37.29672       7.925680  23.78864       65.31622 
1 1 1 3   -9  9  o 430.5853 31.35295 35.38345       8.573338  47.04259       8.082402  -64.91092      65.67982 
1 1 1 3   -9  10 o 245.6958 49.72311 20.67416       7.995166  9.783978       6.787886  86.72897       92.49815 
1 1 1 3   -9  11 o 395.1559 40.28817 35.80368       6.885506  0.000000       0.000000  ?              ?        
1 1 1 3   -9  12 f 174.3913 48.27061 10.47275       5.123722  3.130419       5.724886  60.69775       80.66823 
1 1 1 3   -9  13 o 284.9359 33.41318 15.91984       5.357175  22.24069       6.358093  -48.09949      69.42091 
1 1 1 3   -9  14 o 383.4028 27.15788 30.60171       6.045676  36.54490       6.866946  -33.09906      55.64883 
1 1 1 3   -9  15 o 128.9881 48.83037 1.994912       5.300320  4.689578       5.422881  -19.29311      79.90774 
1 1 1 3   -9  16 o 442.2612 35.94500 0.000000       0.000000  46.34908       6.912918  ?              ?        
1 1 1 3   -9  17 o 121.2892 47.58598 2.680109       5.047132  3.250326       5.417798  -5.958710      77.47174 
1 1 1 3   -9  18 o 114.4950 47.56187 5.071296       5.976289  -0.1670504     5.221805  33.65047       77.86166 
1 1 1 3   -9  19 f 84.23209 39.43560 -1.117220      5.218309  -3.193300      5.093864  9.217499       66.41132 
1 1 1 3   -9  20 o 179.6914 48.36644 4.684872       5.230840  14.97294       5.838181  -82.18272      81.26134 
1 1 1 3   -9  21 o 125.4033 48.56259 6.527903       5.120301  1.359461       5.690196  28.88551       76.85297 
1 1 1 3   -8  0  o 392.4564 14.58026 36.59699       3.773951  31.88968       3.350481  26.88419       29.33125 
1 1 1 3   -8  1  o 101.6236 37.32155 0.4609640      5.231645  2.201464       2.400076  18.05595       66.49809 
1 1 1 3   -8  2  o 547.4053 14.49622 61.74277       5.040631  70.04904       4.804098  -35.12030      29.28982 
1 1 1 3   -8  3  o 211.4257 22.93711 10.32670       2.992418  9.800066       2.928816  5.645340       47.36357 
1 1 1 3   -8  4  o 335.8247 19.66796 24.55542       4.418850  25.56283       3.807609  -8.651062      40.50687 
1 1 1 3   -8  5  o 538.2330 15.61519 63.23832       4.987908  65.23346       5.460159  -7.552979      31.50921 
1 1 1 3   -8  6  o 169.8152 35.47621 6.486831       3.070967  7.570277       4.618031  -11.75687      68.94871 
1 1 1 3   -8  7  o 326.8646 20.48179 22.02854       3.631669  26.99469       4.919567  -31.58218      42.42389 
1 1 1 3   -8  8  o 90.08200 39.99946 -1.132416      3.613303  -0.5052196     6.497906  -38.13613      72.49206 
1 1 1 3   -8  9  o 262.1851 32.37284 13.33083       4.528663  19.60909       6.137226  -50.43542      67.22172 
1 1 1 3   -8  10 o 163.2636 45.38560 4.215424       4.396562  9.097216       5.236769  -49.54434      78.13161 
1 1 1 3   -8  11 o 249.9830 47.68316 14.75535       5.037757  0.000000       0.000000  ?              ?        
1 1 1 3   -8  12 o 201.0405 67.78442 16.61972       10.37459  3.259704       9.691869  78.46480       110.4528 
1 1 1 3   -8  13 o 147.0296 62.08971 5.748342       9.447471  -3.503098      10.01146  35.27237       102.4348 
1 1 1 3   -8  14 o 190.2540 55.74603 0.2178687E-01  9.071394  12.55752       5.908074  -68.41591      90.63114 
1 1 1 3   -8  15 o 126.7460 47.85871 3.413794       4.985260  2.639646       5.313832  2.904297       78.63924 
1 1 1 3   -8  16 o 280.8238 31.35067 17.94026       5.230842  18.68508       5.517111  -4.572937      65.95718 
1 1 1 3   -8  17 o 149.5254 49.04309 6.858957       5.066595  4.347958       5.457121  18.36877       81.00842 
1 1 1 3   -8  18 o 159.1458 49.77991 6.567069       5.694474  6.860449       5.247671  -1.736572      83.36147 
1 1 1 3   -8  19 o 130.0291 47.16759 6.472991       4.865656  1.967052       4.945976  32.11879       76.10004 
1 1 1 3   -8  20 o 243.8045 37.01973 11.49622       5.104142  19.77021       5.810197  -69.41196      76.96981 
1 1 1 3   -8  21 o 121.1269 48.60115 10.23223       6.238714  -0.7665323     5.071001  67.03136       78.95145 
1 1 1 3   -8  22 o 137.3793 46.61642 6.608063       4.559273  4.177703       4.937971  18.15965       75.56160 
1 1 1 3   -7  0  o 359.9852 13.73246 26.16787       2.977834  31.19504       3.151373  -31.77979      27.59059 
1 1 1 3   -7  1  o 470.6779 13.37131 51.29527       4.088242  46.63677       3.735719  22.30008       26.84188 
1 1 1 3   -7  2  o 745.4502 14.83882 118.1331       6.775264  126.7161       6.951612  -26.16644      29.77472 
1 1 1 3   -7  3  o 921.9342 16.39947 186.7877       9.517512  187.9056       9.245928  -3.350159      32.91996 
1 1 1 3   -7  4  o 143.3900 30.56122 5.901867       2.550910  3.488748       2.728415  32.18957       56.24127 
1 1 1 3   -7  5  o 240.1350 20.22402 11.66459       2.831069  14.40993       3.166190  -25.56235      41.33410 
1 1 1 3   -7  6  o 218.6037 27.01080 10.85228       3.108616  10.96901       4.379521  4.277786       58.98908 
1 1 1 3   -7  7  o 373.8039 18.40754 28.39490       3.683206  36.45439       5.216866  -44.91858      38.19072 
1 1 1 3   -7  8  o 135.8360 41.02281 7.050080       3.237218  -1.320764      4.609525  64.18325       64.49355 
1 1 1 3   -7  9  o 208.0562 29.77961 10.62377       3.462099  8.739298       4.081820  22.38033       61.76354 
1 1 1 3   -7  10 o 139.8134 48.08611 0.000000       0.000000  4.106915       3.566731  ?              ?        
1 1 1 3   -7  11 o 390.2408 26.82482 38.68475       6.014304  27.55125       7.007050  69.82379       58.08702 
1 1 1 3   -7  12 o 426.0120 24.69031 35.60413       5.982546  47.38556       7.171492  -60.81525      50.05973 
1 1 1 3   -7  13 o 305.9005 32.50572 16.35244       5.711799  27.51063       6.514793  -82.86053      67.85686 
1 1 1 3   -7  14 o 508.1568 25.79181 54.87030       7.872305  60.63250       8.356360  -25.15045      52.21818 
1 1 1 3   -7  15 o 445.3205 38.69298 50.80862       10.15172  39.57719       11.07349  64.95135       83.27855 
1 1 1 3   -7  16 o 249.0606 63.86575 20.09863       10.03866  12.69307       9.792353  48.00699       112.4158 
1 1 1 3   -7  17 o 157.5145 70.73749 0.000000       0.000000  1.008756       10.17519  ?              ?        
1 1 1 3   -7  18 o 381.6389 25.03004 29.83450       5.666298  37.78726       6.148993  -45.90793      51.77722 
1 1 1 3   -7  19 o 180.6620 45.67738 8.823050       4.942001  8.354135       5.321174  5.251953       81.48817 
1 1 1 3   -7  20 o 178.9458 49.55491 4.670904       5.943869  12.70642       5.464330  -64.78348      82.34536 
1 1 1 3   -7  21 o 204.8801 39.31136 11.49344       4.449468  10.12878       5.287105  20.76639       77.42953 
1 1 1 3   -7  22 o 102.1249 42.40413 3.437389       4.369839  0.2447621      4.466736  18.63522       68.33833 
1 1 1 3   -6  0  o 338.4879 12.91947 25.98035       2.762281  24.50587       2.656296  9.881470       25.93455 
1 1 1 3   -6  1  o 389.9573 12.39590 33.25259       3.047445  33.62762       2.944681  -2.277954      24.88050 
1 1 1 3   -6  2  o 383.6778 12.98774 32.79681       3.215664  32.04553       2.972046  4.278625       26.11758 
1 1 1 3   -6  3  o 346.4559 14.25101 25.98612       3.227439  26.81688       2.909612  -5.836975      28.84494 
1 1 1 3   -6  4  o 736.4382 14.28977 117.9449       6.563427  120.7113       6.493071  -8.648438      28.67315 
1 1 1 3   -6  5  o 151.5989 40.00361 0.000000       0.000000  5.392795       2.698295  ?              ?        
1 1 1 3   -6  6  o 323.0566 17.82489 23.47875       3.053565  22.46621       4.440392  10.46323       39.19315 
1 1 1 3   -6  7  o 440.7757 16.25780 44.21113       4.087279  41.35886       4.896901  16.59641       33.54373 
1 1 1 3   -6  8  o 161.1136 37.98776 7.634693       3.170583  2.937156       4.770505  42.77936       67.85045 
1 1 1 3   -6  9  o 313.0682 20.23475 22.57435       3.579276  20.69238       4.349546  15.95941       42.38853 
1 1 1 3   -6  10 o 234.0831 35.58086 0.000000       0.000000  12.54920       3.538456  ?              ?        
1 1 1 3   -6  11 o 381.4088 24.12180 36.76701       5.583838  27.55857       5.776842  56.57666       49.79799 
1 1 1 3   -6  12 o 411.9470 19.91121 40.36575       5.137138  34.89715       5.011261  30.35773       40.19274 
1 1 1 3   -6  13 o 242.0344 29.25801 14.57663       4.277843  11.91985       4.330076  26.11928       60.78997 
1 1 1 3   -6  14 o 409.6451 22.64621 35.06614       5.460684  40.04259       6.048868  -26.82901      45.83363 
1 1 1 3   -6  15 o 499.5829 26.00761 56.61485       7.906752  54.81514       8.163496  8.941925       52.77978 
1 1 1 3   -6  16 o 248.6030 41.11130 14.26591       5.927662  14.97272       6.329086  -4.841171      82.80777 
1 1 1 3   -6  17 o 151.5103 50.90023 4.081080       5.634547  6.902086       5.661215  -21.40125      84.10390 
1 1 1 3   -6  18 o 97.06726 44.77267 -2.369640      5.257480  -2.189170      8.258186  -26.61733      78.29604 
1 1 1 3   -6  19 o 122.6304 54.06581 1.035963       7.253161  0.7620202      9.094631  -9.103333      88.61591 
1 1 1 3   -6  20 o 198.8156 55.57523 12.32763       6.445090  10.02430       8.060728  20.95874       95.24480 
1 1 1 3   -6  21 o 116.6758 46.65728 0.1442166      6.070199  4.592830       4.497945  -17.10565      74.54915 
1 1 1 3   -6  22 o 82.86709 37.86000 0.2378241      5.263011  -1.359330      3.778770  20.41727       64.33482 
1 1 1 3   -6  23 o 139.7269 44.41703 9.712266       5.139583  3.382216       3.809960  51.41165       74.77229 
1 1 1 3   -5  0  o 413.7525 11.33773 39.20113       2.919449  36.07346       2.895085  17.26437       22.73433 
1 1 1 3   -5  1  o 381.5478 11.78659 32.46596       2.809227  31.55892       2.763978  5.406158       23.63104 
1 1 1 3   -5  2  o 240.0330 14.22466 13.24648       2.166754  12.22404       2.054739  9.653992       28.67592 
1 1 1 3   -5  3  o 335.5038 12.76808 26.07277       2.817634  23.73194       2.513268  15.68286       25.68626 
1 1 1 3   -5  4  o 549.4376 12.47966 64.94577       4.379797  67.58381       4.137374  -11.13965      25.10535 
1 1 1 3   -5  5  o 155.0448 24.25652 4.369362       2.192398  6.652064       2.326620  -32.79530      48.39006 
1 1 1 3   -5  6  o 251.9097 16.62602 13.13968       2.418379  15.26401       2.787922  -18.69501      33.70667 
1 1 1 3   -5  7  o 452.9370 14.55993 46.62833       3.860172  43.58688       4.355616  16.16663       29.62192 
1 1 1 3   -5  8  o 752.8243 21.58515 126.3131       7.120351  0.000000       0.000000  ?              ?        
1 1 1 3   -5  9  o 183.1077 32.72523 6.702935       3.093106  10.09787       4.407873  -35.73851      65.41464 
1 1 1 3   -5  10 o 177.3050 38.14233 1.932135       5.810295  9.168511       3.313454  -57.81590      70.16374 
1 1 1 3   -5  11 o 465.1714 21.62570 48.66426       6.080861  47.13689       6.375885  8.015961       43.69762 
1 1 1 3   -5  12 f 756.5328 22.92707 126.6832       7.599346  0.000000       0.000000  ?              ?        
1 1 1 3   -5  13 o 317.2271 21.88478 22.76235       4.196662  21.94770       4.368830  6.323639       44.48655 
1 1 1 3   -5  14 o 236.8351 28.99384 13.28912       4.191909  12.13653       4.150124  11.34230       59.97415 
1 1 1 3   -5  15 o 609.3348 17.96759 77.13358       6.553314  87.70066       7.040955  -39.02570      36.11277 
1 1 1 3   -5  16 o 774.9420 44.25681 138.8828       14.98101  0.000000       0.000000  ?              ?        
1 1 1 3   -5  17 o 305.3456 28.53409 15.83987       5.653584  25.54268       5.077039  -79.56621      63.48569 
1 1 1 3   -5  18 o 602.0232 21.30921 87.59141       9.524402  78.02217       6.957544  26.98053       44.79422 
1 1 1 3   -5  19 o 260.4169 40.66402 12.26761       6.492014  20.95772       6.225075  -77.19536      83.17189 
1 1 1 3   -5  20 o 80.38249 38.65766 -3.793889      6.065449  -5.307713      5.315048  12.29635       67.14002 
1 1 1 3   -5  21 o 165.4453 45.47691 7.473292       4.209426  7.458732       5.776767  3.174240       79.64674 
1 1 1 3   -5  22 o 98.36689 41.80229 5.194851       4.513463  -2.514018      4.391534  46.50779       68.00134 
1 1 1 3   -5  23 o 103.3080 42.83478 2.437452       4.571024  1.652346       4.429775  5.476585       68.97375 
1 1 1 3   -5  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -4  0  o 208.2342 13.04002 11.79496       1.745363  7.655465       1.614210  45.54022       26.61919 
1 1 1 3   -4  1  o 465.1142 11.05956 47.46018       3.137515  47.55298       3.247113  -0.3972168     22.19001 
1 1 1 3   -4  2  o 352.9962 10.83229 26.04291       2.347087  28.78240       2.391844  -17.71442      21.72536 
1 1 1 3   -4  3  o 166.5885 17.08992 7.090924       1.833175  5.410057       1.661518  23.11368       35.03482 
1 1 1 3   -4  4  o 511.6749 11.51549 55.62330       3.695680  59.30241       3.615722  -16.48190      23.12335 
1 1 1 3   -4  5  o 202.1783 17.08490 8.070473       2.302629  9.791597       1.979231  -20.76572      36.07807 
1 1 1 3   -4  6  o 278.8567 14.26352 16.36840       2.331285  18.12952       2.610579  -14.11966      28.76647 
1 1 1 3   -4  7  o 151.0317 28.47352 5.080698       2.263539  5.531821       3.047522  -6.276825      55.96750 
1 1 1 3   -4  8  o 93.46911 35.31448 1.646072       2.439841  1.172896       3.389899  -7.360802      59.18958 
1 1 1 3   -4  9  f 595.5045 14.83490 76.45729       5.165897  80.79598       5.859549  -15.44824      29.99727 
1 1 1 3   -4  10 o 242.0683 23.02449 12.61880       3.206697  13.92519       3.671922  -10.87889      47.61845 
1 1 1 3   -4  11 o 372.1587 18.22943 31.87224       4.084361  29.32524       4.316453  16.18878       36.94888 
1 1 1 3   -4  12 o 224.2023 25.15668 7.780325       3.363085  15.09594       3.519111  -76.27139      53.28171 
1 1 1 3   -4  13 o 458.0021 16.64586 45.01375       4.649676  47.61953       4.796466  -12.87112      33.44921 
1 1 1 3   -4  14 o 85.57221 37.31802 -0.3702619     3.706791  -0.4311312     3.750005  -0.1983185     62.90812 
1 1 1 3   -4  15 o 72.45049 35.45650 -13.41400      9.009423  -5.660021      4.153204  33.88799       69.04381 
1 1 1 3   -4  16 o 454.2769 19.47084 46.94327       5.549793  44.56014       5.401431  11.81107       39.24042 
1 1 1 3   -4  17 o 596.9913 17.82763 78.79087       6.561759  79.20396       6.628017  -1.460266      35.89043 
1 1 1 3   -4  18 o 170.6281 41.28796 8.417295       4.266510  5.691194       4.380405  27.95982       73.88160 
1 1 1 3   -4  19 o 167.9763 39.55455 5.088781       3.989954  8.958559       4.119018  -41.06761      70.97116 
1 1 1 3   -4  20 o 201.6512 31.53281 9.857606       3.841154  9.685125       3.789925  1.569199       64.73644 
1 1 1 3   -4  21 o 269.0444 29.44879 20.21131       6.963352  16.30218       3.924041  2.261292       71.66459 
1 1 1 3   -4  22 o 139.4076 51.46649 4.516351       6.126180  6.324964       5.660396  -10.24339      82.41115 
1 1 1 3   -4  23 f 127.7981 51.25151 7.304326       6.582028  1.989172       5.852380  29.41999       81.81338 
1 1 1 3   -4  24 o 117.9695 45.59308 3.094089       3.921813  5.446961       6.442833  -20.15576      75.39175 
1 1 1 3   -3  0  o 529.8860 10.37154 62.01733       3.425737  61.28544       3.392740  3.138855       20.78286 
1 1 1 3   -3  1  o 294.9661 14.39648 19.16739       1.857018  0.000000       0.000000  ?              ?        
1 1 1 3   -3  2  f 248.6411 10.81210 12.35702       1.593242  15.09065       1.744281  -24.97842      21.71382 
1 1 1 3   -3  3  o 409.4667 10.11074 36.99183       2.557632  36.62386       2.578766  2.064819       20.27754 
1 1 1 3   -3  4  o 699.5605 12.20200 106.5969       5.270323  108.4034       5.320190  -5.871582      24.42239 
1 1 1 3   -3  5  o 92.20504 27.43032 2.907348       1.930125  1.285352       1.513856  29.40350       46.91084 
1 1 1 3   -3  6  o 207.7545 14.77535 9.362016       1.936265  9.700583       1.850149  -3.927628      29.96321 
1 1 1 3   -3  7  o 718.9918 12.91052 115.6992       5.771127  111.6437       5.745286  12.86957       25.88564 
1 1 1 3   -3  8  o 265.2332 17.18668 16.17465       2.526258  14.63231       3.224973  15.03082       36.49200 
1 1 1 3   -3  9  o 129.8058 35.17998 4.424782       2.527461  3.053464       3.517987  10.53725       61.71866 
1 1 1 3   -3  10 o 264.0080 20.66365 15.20563       3.164893  16.11912       3.589283  -6.608978      42.42452 
1 1 1 3   -3  11 o 292.5549 20.23118 16.70895       3.483658  21.97465       3.840132  -40.65863      41.17013 
1 1 1 3   -3  12 o 504.5820 14.62687 56.51101       4.489023  55.68774       4.662758  3.927063       29.38976 
1 1 1 3   -3  13 o 484.6101 15.17202 51.77810       4.540161  51.70966       4.570588  0.3534851      30.45449 
1 1 1 3   -3  14 o 185.0429 41.23801 5.606003       6.581079  8.816317       3.755102  -21.63226      78.69824 
1 1 1 3   -3  15 o 377.6864 19.09818 33.14966       4.591999  30.25662       4.338635  17.16592       38.54461 
1 1 1 3   -3  16 o 150.8748 43.96922 1.195622       4.531975  8.876142       4.216888  -69.77129      71.18372 
1 1 1 3   -3  17 o 315.5984 24.67870 23.28248       4.756327  21.32183       4.830558  14.76062       50.54079 
1 1 1 3   -3  18 o 548.1313 17.08717 69.25854       5.923995  64.23920       5.688819  20.51428       34.41701 
1 1 1 3   -3  19 o 110.3193 39.68618 3.246056       3.544387  1.941782       3.388222  13.29421       65.38888 
1 1 1 3   -3  20 o 204.3948 28.92829 9.100776       3.541114  10.60660       3.590279  -16.89336      60.07651 
1 1 1 3   -3  21 o 126.0153 40.05331 5.338598       3.528804  2.629909       3.510988  26.87254       66.46066 
1 1 1 3   -3  22 o 78.48793 35.24191 -2.033329      3.619731  0.9412270      3.522392  -16.00119      58.79329 
1 1 1 3   -3  23 o 136.5248 40.34135 3.933913       3.706290  6.085310       3.602944  -21.39378      68.06091 
1 1 1 3   -3  24 o 108.8039 38.61629 1.059449       3.374001  4.845215       3.171743  -32.98861      61.91236 
1 1 1 3   -3  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -2  0  o 783.4403 12.69996 134.0305       6.142680  135.6536       6.201702  -4.702332      25.42110 
1 1 1 3   -2  1  o 496.6699 9.457966 54.27996       2.911123  54.02074       2.916782  1.194153       18.94899 
1 1 1 3   -2  2  f 180.0715 11.16361 7.370314       1.255979  6.935575       1.226286  5.517029       22.50917 
1 1 1 3   -2  3  o 151.2479 12.99860 5.660441       1.248331  4.536511       1.170868  17.08585       26.48376 
1 1 1 3   -2  4  o 395.4620 9.195720 34.25248       2.250089  34.40460       2.261619  -0.8731384     18.43460 
1 1 1 3   -2  5  o 436.7527 9.569608 38.48166       2.502326  45.80418       2.693545  -38.11911      19.18245 
1 1 1 3   -2  6  o 528.2643 10.65987 67.30006       3.809543  56.91213       3.244444  44.37018       21.42673 
1 1 1 3   -2  7  o 1084.756 17.03779 258.8301       11.46369  259.2249       11.46565  -0.8298340     34.13906 
1 1 1 3   -2  8  o 735.0989 13.07144 119.2241       5.863804  118.4433       6.062225  2.807007       26.21341 
1 1 1 3   -2  9  o 340.6521 14.87139 25.94337       2.848597  25.15719       3.529684  6.415314       30.76712 
1 1 1 3   -2  10 o 78.38225 33.05145 -0.1153262     2.454862  0.8364860      3.176266  -18.53929      56.07362 
1 1 1 3   -2  11 o 514.0230 19.91281 0.000000       0.000000  58.82498       4.481197  ?              ?        
1 1 1 3   -2  12 o 108.8397 36.96001 1.149275       2.644619  4.886806       3.480768  -47.51708      61.92797 
1 1 1 3   -2  13 o 387.6898 16.09500 32.35007       3.670210  34.18061       4.088100  -10.29800      32.47258 
1 1 1 3   -2  14 o 434.6650 16.24413 46.94370       4.557678  37.18637       4.207712  50.91599       32.66857 
1 1 1 3   -2  15 o 578.1044 15.31269 69.30636       5.396677  78.40330       5.580864  -35.78998      30.75157 
1 1 1 3   -2  16 o 166.7818 39.49464 4.368504       4.081105  8.632057       3.966430  -45.32539      70.05786 
1 1 1 3   -2  17 o 97.70359 39.93561 0.6583655      3.873928  1.127711       3.802241  -2.615852      66.29077 
1 1 1 3   -2  18 o 147.8163 36.91304 5.223673       3.444219  5.152727       3.308446  1.186325       65.86939 
1 1 1 3   -2  19 o 378.0049 18.01079 34.75571       4.552148  29.68055       3.936759  29.01462       36.52286 
1 1 1 3   -2  20 o 354.7444 28.95897 29.12216       4.466917  0.000000       0.000000  ?              ?        
1 1 1 3   -2  21 o 140.3995 39.30755 5.486542       3.801575  4.672894       3.356431  9.078552       68.11951 
1 1 1 3   -2  22 o 207.9720 27.49976 13.35989       3.713643  7.946976       3.253552  56.82426       57.59172 
1 1 1 3   -2  23 o 68.92752 31.90101 0.1264303      3.736263  -2.059641      2.876967  22.28407       55.20377 
1 1 1 3   -2  24 o 185.3262 29.66532 11.42832       3.559239  6.400895       3.082686  55.18567       60.29241 
1 1 1 3   -2  25 o 171.4186 33.01627 7.863661       3.467197  7.476320       3.305440  2.908890       64.98382 
1 1 1 3   -1  0  o 608.5387 10.31961 80.55097       3.871742  82.07851       3.919787  -5.709229      20.65053 
1 1 1 3   -1  1  o 318.7451 8.043482 21.43500       1.551588  23.27730       1.629516  -13.15134      16.11095 
1 1 1 3   -1  2  o 648.6045 10.72869 91.10264       4.269556  93.69783       4.365258  -9.092468      21.47063 
1 1 1 3   -1  3  o 713.6469 11.56767 109.5727       5.035259  114.2832       5.211045  -14.98755      23.15305 
1 1 1 3   -1  4  o 285.2303 8.531795 18.54145       1.543762  17.26099       1.474369  10.21182       17.09804 
1 1 1 3   -1  5  o 120.0625 15.72289 3.249440       1.105990  3.192783       1.183740  1.331009       32.22485 
1 1 1 3   -1  6  o 1286.557 19.53389 356.5689       15.34155  372.8124       15.85001  -28.50525      39.14584 
1 1 1 3   -1  7  o 235.1966 10.76961 12.50299       1.634807  11.89363       1.507142  5.803406       21.67215 
1 1 1 3   -1  8  o 391.2119 10.63004 33.65967       2.462404  33.62461       2.709881  0.3813171      21.40568 
1 1 1 3   -1  9  o 184.7707 20.62896 8.438580       2.035774  6.146440       2.784575  31.68948       46.54849 
1 1 1 3   -1  10 o 365.5147 13.78755 31.22845       2.926585  27.22169       3.358978  25.99866       28.34880 
1 1 1 3   -1  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   -1  12 o 158.6215 36.77419 5.967747       2.508703  0.000000       0.000000  ?              ?        
1 1 1 3   -1  13 o 162.0307 33.60873 7.094856       3.251410  5.077881       3.283162  24.67926       62.82421 
1 1 1 3   -1  14 o 996.1183 16.78336 218.3172       10.34036  218.9332       10.40122  -1.358643      33.64495 
1 1 1 3   -1  15 o 203.8056 26.88871 10.65232       3.421632  8.263719       3.220587  26.73419       55.19000 
1 1 1 3   -1  16 o 343.7018 17.04143 24.50908       3.796490  27.51735       3.469541  -20.81143      34.77264 
1 1 1 3   -1  17 o 254.3217 23.17869 14.84327       3.638939  14.10231       3.594571  6.708954       47.52415 
1 1 1 3   -1  18 o 91.22278 38.28025 2.261089       4.177392  -0.6998922     3.292235  32.68322       64.95313 
1 1 1 3   -1  19 o 461.9583 17.34729 50.91389       5.878209  45.47382       4.373484  23.14093       36.06250 
1 1 1 3   -1  20 o 78.68204 34.15084 -0.2145877     3.392571  0.7602169E-02  2.858292  5.769394       57.37154 
1 1 1 3   -1  21 o 391.2791 18.01981 37.65575       5.096531  32.63511       3.874500  23.46664       37.49971 
1 1 1 3   -1  22 o 81.96357 34.47511 -1.118299      3.215444  1.867723       2.784365  -17.24606      56.46068 
1 1 1 3   -1  23 o 142.3660 36.07696 6.270352       3.423315  4.494123       2.997828  19.60110       64.39835 
1 1 1 3   -1  24 o 161.7612 32.31001 6.575329       3.109967  6.727457       3.147514  -1.609024      62.46724 
1 1 1 3   -1  25 o 237.5119 25.82332 17.16719       4.315235  11.63058       3.351690  42.15413       56.01164 
1 1 1 3   0   0  o 629.5482 10.53165 88.00722       4.145287  86.06258       4.081142  7.023560       21.07537 
1 1 1 3   0   1  o 50.77901 18.62519 0.8709546      0.7756059 0.4729575E-01  0.7605022 16.59504       30.51045 
1 1 1 3   0   2  o 539.1879 9.152330 62.04799       3.006164  65.71677       3.119320  -15.47852      18.31306 
1 1 1 3   0   3  o 340.0422 7.316857 25.02954       1.543142  25.71671       1.543624  -4.614685      14.66295 
1 1 1 3   0   4  o 355.7830 7.515270 27.65940       1.663331  27.89378       1.653942  -1.508423      15.05929 
1 1 1 3   0   5  o 629.9802 10.26026 87.21079       4.017274  87.05724       4.001979  0.5509033      20.53152 
1 1 1 3   0   6  o 504.7155 8.885609 56.23417       2.788053  55.59425       2.775897  3.045685       17.78814 
1 1 1 3   0   7  o 1139.880 17.32106 282.9243       12.17866  288.9193       12.31767  -11.92505      34.69843 
1 1 1 3   0   8  o 1115.848 17.03173 278.5055       11.92817  269.8575       11.65474  17.50793       34.12738 
1 1 1 3   0   9  o 269.9596 11.91371 15.01399       1.889080  17.34614       2.109457  -19.49167      23.95804 
1 1 1 3   0   10 o 519.3030 15.91964 59.56600       3.621948  0.000000       0.000000  ?              ?        
1 1 1 3   0   11 o 347.9612 22.69745 27.12031       3.445343  0.000000       0.000000  ?              ?        
1 1 1 3   0   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   0   13 o 221.1900 21.69392 12.22235       2.995372  9.780080       2.884467  25.61356       44.75415 
1 1 1 3   0   14 o 574.8009 12.56895 74.01537       4.588354  71.42797       4.381959  10.11481       25.22575 
1 1 1 3   0   15 o 1033.411 16.94349 238.0407       11.00216  232.8992       10.72622  11.10303       33.97689 
1 1 1 3   0   16 o 397.1361 15.45222 31.00933       4.192094  37.48566       3.499773  -38.83722      32.33263 
1 1 1 3   0   17 o 142.2141 33.65169 3.488294       3.091899  5.734354       2.777544  -27.18588      60.23808 
1 1 1 3   0   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   0   19 o 164.9239 27.88059 3.935217       2.813184  8.431938       2.692367  -58.86111      54.28589 
1 1 1 3   0   20 o 298.8285 17.39972 19.98428       3.338861  19.90283       3.097548  -0.2075500     35.40570 
1 1 1 3   0   21 o 117.1687 41.27885 0.000000       0.000000  3.146522       2.636659  ?              ?        
1 1 1 3   0   22 o 202.3454 25.01139 10.19052       3.295172  9.119829       2.889853  9.082687       52.81977 
1 1 1 3   0   23 o 122.0344 36.01176 2.874465       3.034512  4.640182       2.804970  -19.43546      60.80415 
1 1 1 3   0   24 o 234.2510 22.75582 14.19915       3.550759  12.03477       3.038795  16.28503       48.48446 
1 1 1 3   0   25 o 92.32185 35.64064 2.113082       3.215594  1.795594       2.650815  6.533554       58.03738 
1 1 1 3   0   26 o 95.08415 36.50615 2.607962       3.403581  1.916154       2.747061  9.277649       59.33827 
1 1 1 3   1   0  o 340.6421 8.291751 25.98178       1.771156  24.97283       1.733662  6.747070       16.62413 
1 1 1 3   1   1  o 568.4520 9.706861 68.66395       3.346106  73.43137       3.505146  -19.06647      19.42460 
1 1 1 3   1   2  o 498.1834 8.740617 54.58651       2.709453  54.36211       2.692909  1.022552       17.48815 
1 1 1 3   1   3  o 295.8828 7.101659 19.29991       1.319300  19.12475       1.288166  1.336792       14.23863 
1 1 1 3   1   4  o 434.4197 7.786497 41.11555       2.094914  41.71634       2.101705  -3.154266      15.59556 
1 1 1 3   1   5  o 1355.158 20.22505 404.4632       16.99931  404.4104       17.00437  0.9240723E-01  40.53434 
1 1 1 3   1   6  o 671.6176 10.49527 97.77385       4.340232  100.3405       4.405543  -8.694336      21.00236 
1 1 1 3   1   7  o 795.8221 12.17600 139.5345       6.025903  138.6998       5.995933  2.380493       24.37089 
1 1 1 3   1   8  o 520.8860 8.698063 59.16959       2.800321  59.95506       2.820764  -3.432495      17.40403 
1 1 1 3   1   9  o 628.7083 14.84461 86.97772       4.093730  0.000000       0.000000  ?              ?        
1 1 1 3   1   10 o 328.7501 12.61266 23.81799       1.815379  0.000000       0.000000  ?              ?        
1 1 1 3   1   11 o 462.6785 24.09050 0.000000       0.000000  47.91711       4.872231  ?              ?        
1 1 1 3   1   12 o 110.8691 29.64355 3.876200       2.073750  1.876229       2.082457  28.83710       50.97763 
1 1 1 3   1   13 o 376.6130 11.08146 33.44260       2.609012  29.13062       2.563672  26.14804       22.26975 
1 1 1 3   1   14 o 356.9803 11.76071 28.46447       2.739696  27.71828       2.481030  4.510437       23.68884 
1 1 1 3   1   15 o 551.7830 16.31187 0.000000       0.000000  67.14212       3.943631  ?              ?        
1 1 1 3   1   16 o 723.7396 13.23608 114.8155       5.919477  115.7891       5.965480  -3.030640      26.55242 
1 1 1 3   1   17 o 72.19958 29.60099 -0.7334306     2.162676  1.491782       2.073019  -20.72998      48.89180 
1 1 1 3   1   18 o 102.5883 38.60649 6.095666       5.726630  0.9448978      2.592029  72.45323       72.22584 
1 1 1 3   1   19 o 374.8498 14.39961 27.32529       3.298010  35.01728       3.387952  -46.96826      29.12504 
1 1 1 3   1   20 o 113.3676 33.38477 2.450591       2.630091  3.495885       2.397363  -11.60931      56.78234 
1 1 1 3   1   21 o 207.3337 20.58879 10.92507       2.716596  8.759316       2.520504  23.56792       42.72437 
1 1 1 3   1   22 o 105.8699 34.26994 3.258143       2.701544  2.255508       2.453011  13.10091       57.28677 
1 1 1 3   1   23 o 120.1165 33.28233 4.411779       2.615113  2.918032       2.518406  19.03504       57.43444 
1 1 1 3   1   24 o 102.7561 36.23525 5.358334       2.860178  -0.1754770     2.887566  54.02384       57.05798 
1 1 1 3   1   25 o 125.5903 34.44981 4.794217       2.849885  3.662815       2.685712  13.32771       59.80708 
1 1 1 3   1   26 o 85.44981 34.55621 1.777309       3.114677  1.182119       2.623099  8.563042       56.21208 
1 1 1 3   2   0  f 430.8703 9.198560 38.83561       2.367457  42.99163       2.561084  -21.90408      18.44169 
1 1 1 3   2   1  o 469.7260 9.007322 46.31576       2.546822  50.82412       2.709882  -21.81940      18.04761 
1 1 1 3   2   2  o 546.0005 13.47799 0.000000       0.000000  65.50240       3.227895  ?              ?        
1 1 1 3   2   3  o 440.1614 8.275719 43.14249       2.286797  41.92714       2.233375  6.280945       16.57859 
1 1 1 3   2   4  o 327.2073 10.23029 0.000000       0.000000  23.52900       1.466487  ?              ?        
1 1 1 3   2   5  o 91.81287 14.02930 1.878266       0.7721010 1.911571       0.7753046 -0.8170242     28.19076 
1 1 1 3   2   6  o 89.71897 13.49777 1.681302       0.7136931 1.945370       0.7431192 -6.633087      27.16725 
1 1 1 3   2   7  o 794.1917 16.97730 137.0068       8.278914  140.5557       8.451615  -10.10242      34.06165 
1 1 1 3   2   8  o 855.4670 25.90236 161.9058       9.708304  0.000000       0.000000  ?              ?        
1 1 1 3   2   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   2   10 o 209.3207 19.47909 9.761947       1.767946  0.000000       0.000000  ?              ?        
1 1 1 3   2   11 o 121.8745 16.12852 0.000000       0.000000  3.337677       0.8410569 ?              ?        
1 1 1 3   2   12 o 660.3135 12.60120 101.0726       6.697895  94.12565       4.352744  19.75281       27.37035 
1 1 1 3   2   13 o 465.5692 9.384552 49.27013       2.696455  46.06208       2.724319  15.79092       18.84349 
1 1 1 3   2   14 o 269.2214 11.42017 15.75503       2.055657  16.13239       1.779773  -3.593750      23.24148 
1 1 1 3   2   15 o 1001.642 15.70104 215.0452       9.563633  227.4426       9.959763  -27.91174      31.47298 
1 1 1 3   2   16 o 621.9921 11.57714 89.61694       4.642647  81.16138       4.309640  30.73767       23.22099 
1 1 1 3   2   17 o 450.2451 11.40344 42.63246       3.190927  46.61730       3.173893  -20.27048      22.90068 
1 1 1 3   2   18 f 457.9645 12.55361 46.77483       3.561934  45.64053       3.563923  5.670868       25.19166 
1 1 1 3   2   19 o 132.3678 39.90616 0.000000       0.000000  4.080822       2.508478  ?              ?        
1 1 1 3   2   20 o 326.9120 14.13741 21.46082       2.857484  25.90422       2.862828  -31.29285      28.62901 
1 1 1 3   2   21 o 211.8077 19.56235 9.737372       2.629300  10.49361       2.461482  -9.368088      40.65290 
1 1 1 3   2   22 o 281.8940 16.23393 17.74755       2.948284  17.96227       2.719077  -2.951599      33.19716 
1 1 1 3   2   23 o 227.2348 19.13492 13.68722       2.769932  10.15919       2.584117  35.32159       39.85266 
1 1 1 3   2   24 o 175.0557 24.80837 5.346752       2.643534  9.264925       2.594317  -52.43614      51.70931 
1 1 1 3   2   25 o 184.7860 24.17761 6.658934       2.789424  9.601784       2.627779  -40.02495      51.78101 
1 1 1 3   2   26 o 139.1621 33.02153 6.482821       2.956334  4.126085       2.679021  27.62903       59.93725 
1 1 1 3   3   0  o 346.4264 9.672067 25.48654       2.060695  27.27212       2.092570  -11.75983      19.38364 
1 1 1 3   3   1  o 433.4704 9.298621 41.24801       2.511504  41.24164       2.489269  0.2325439E-01  18.63639 
1 1 1 3   3   2  o 647.3240 10.97739 89.91425       4.335602  94.25659       4.484058  -15.24432      21.96936 
1 1 1 3   3   3  f 792.7979 12.64350 136.0383       6.148630  140.1993       6.289637  -11.91492      25.30841 
1 1 1 3   3   4  o 547.9133 9.591270 65.03542       3.221610  66.81291       3.299589  -7.373596      19.19265 
1 1 1 3   3   5  o 561.5318 9.562852 70.14822       3.345090  68.30643       3.317138  7.472046       19.13495 
1 1 1 3   3   6  o 463.6430 8.562082 46.45066       2.423470  47.96072       2.503516  -7.400757      17.15363 
1 1 1 3   3   7  o 745.6205 11.59871 122.9924       5.378906  121.2187       5.350564  5.415894       23.21382 
1 1 1 3   3   8  o 556.2033 17.48565 68.15762       4.260659  0.000000       0.000000  ?              ?        
1 1 1 3   3   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   3   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   3   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   3   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   3   13 o 347.0883 12.81051 26.61684       1.946982  0.000000       0.000000  ?              ?        
1 1 1 3   3   14 o 217.2682 8.703617 10.10104       1.166597  10.68131       1.174774  -6.109009      17.47914 
1 1 1 3   3   15 o 637.0236 10.80798 84.52746       4.107027  94.68236       4.456031  -36.08655      21.64621 
1 1 1 3   3   16 o 138.6028 16.38972 3.420258       1.375936  5.182062       1.387999  -29.82059      34.12490 
1 1 1 3   3   17 o 285.8936 11.09674 18.96534       2.036563  17.17532       1.899079  14.14615       22.29350 
1 1 1 3   3   18 o 326.7293 11.59650 24.82711       2.418372  22.36308       2.280889  17.07581       23.28713 
1 1 1 3   3   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   3   20 o 257.6478 14.52944 12.48051       2.275262  17.12866       2.352147  -41.48523      29.64097 
1 1 1 3   3   21 o 73.61777 28.91091 -0.3952419     1.959579  1.908423       1.900517  -24.68007      47.17933 
1 1 1 3   3   22 o 234.5083 16.39267 11.54442       2.389791  13.15941       2.349973  -16.31372      33.62535 
1 1 1 3   3   23 f 338.4569 15.04151 27.35748       3.073864  23.93423       3.232314  24.35019       30.78690 
1 1 1 3   3   24 o 76.18914 31.25233 0.9843442      2.379293  0.5980923      2.342440  3.916031       51.25357 
1 1 1 3   3   25 f 84.88515 32.52849 1.246467       2.363451  1.866334       2.432265  -6.659256      52.93114 
1 1 1 3   3   26 f 112.1240 31.88709 2.166505       2.441693  4.369764       2.219759  -27.85521      53.69790 
1 1 1 3   3   27 o 76.20142 30.97485 2.863583       2.439928  -0.3474406     2.170262  31.67499       50.48228 
1 1 1 3   4   0  o 319.9442 11.45836 21.75102       2.238436  23.31081       2.303868  -11.10608      22.98561 
1 1 1 3   4   1  o 425.9190 14.42654 0.000000       0.000000  39.91461       2.691307  ?              ?        
1 1 1 3   4   2  o 109.1148 22.61414 2.458484       1.508929  2.965115       1.453305  -9.084435      42.34844 
1 1 1 3   4   3  o 406.3876 10.27231 36.63836       2.597886  35.93245       2.577191  3.957367       20.57917 
1 1 1 3   4   4  o 364.3906 10.63686 30.97560       2.434973  27.47857       2.369893  21.89130       21.33072 
1 1 1 3   4   5  o 745.9435 12.51545 126.1824       5.897926  118.5581       5.690071  23.22321       25.05160 
1 1 1 3   4   6  f 209.4029 15.81919 9.307478       2.046993  10.08042       2.032420  -8.589890      32.10054 
1 1 1 3   4   7  o 113.5726 36.20550 0.000000       0.000000  2.814526       2.032448  ?              ?        
1 1 1 3   4   8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   4   9  o 581.0330 9.951443 70.21647       3.450931  78.76194       3.740018  -33.35724      19.92234 
1 1 1 3   4   10 o 181.7962 10.01738 6.974859       1.121997  7.596894       1.128659  -7.860641      20.18531 
1 1 1 3   4   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   4   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   4   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   4   14 o 354.9721 13.54686 27.81406       2.105409  0.000000       0.000000  ?              ?        
1 1 1 3   4   15 o 554.5815 18.07885 67.95775       4.391943  0.000000       0.000000  ?              ?        
1 1 1 3   4   16 o 359.3631 11.63155 0.000000       0.000000  28.42756       1.831049  ?              ?        
1 1 1 3   4   17 o 993.3013 17.77925 220.4986       9.613680  213.5921       13.07968  21.56134       37.69351 
1 1 1 3   4   18 o 186.7543 13.73444 8.300026       1.604860  7.193801       1.556206  13.60988       27.88290 
1 1 1 3   4   19 o 498.7844 11.18404 55.33283       3.580557  54.24054       3.351601  4.745514       22.48280 
1 1 1 3   4   20 o 69.59634 27.55062 1.210010       1.935210  0.2167750      1.632408  16.76535       45.97798 
1 1 1 3   4   21 o 270.6116 13.26480 15.04459       2.219600  17.46138       2.220249  -20.60315      26.86481 
1 1 1 3   4   22 o 350.2086 18.06516 27.61514       2.765664  0.000000       0.000000  ?              ?        
1 1 1 3   4   23 o 372.1026 12.46437 30.81906       2.922741  30.95006       2.825718  -1.247803      25.20214 
1 1 1 3   4   24 f 139.8586 25.23085 3.376774       2.043972  6.268773       2.179415  -42.86597      48.85879 
1 1 1 3   4   25 o 58.64806 26.40615 -0.4997689E-01 2.044291  -0.7055912     1.996259  5.790260       44.29871 
1 1 1 3   4   26 o 87.58701 31.76255 1.637510       2.299046  2.077500       2.156169  -3.792442      51.74000 
1 1 1 3   4   27 o 79.39361 31.55856 -0.7764249     2.395210  3.195309       2.259508  -35.15950      50.14360 
1 1 1 3   5   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   5   1  o 1123.500 17.92775 274.7452       12.38566  280.8335       12.60606  -12.24414      35.91492 
1 1 1 3   5   2  o 766.3340 14.14850 125.6093       6.598735  132.7927       6.860523  -21.26196      28.36191 
1 1 1 3   5   3  o 105.6142 35.00374 1.365422       2.664927  3.359817       2.680195  -23.10518      58.03013 
1 1 1 3   5   4  o 201.0384 21.90040 8.713623       2.658098  9.323850       2.716988  -6.990387      44.98988 
1 1 1 3   5   5  o 1252.520 19.39466 353.5405       15.33010  337.8452       14.82072  28.27991       38.86876 
1 1 1 3   5   6  o 720.8518 13.13288 110.0829       5.736529  118.6736       6.018601  -27.05115      26.32220 
1 1 1 3   5   7  o 379.5974 20.10751 31.83341       3.336037  0.000000       0.000000  ?              ?        
1 1 1 3   5   8  o 573.9205 11.94930 70.37539       4.232557  74.40542       4.276032  -16.01721      23.96075 
1 1 1 3   5   9  o 217.1053 18.60806 10.46643       1.754964  0.000000       0.000000  ?              ?        
1 1 1 3   5   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   5   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   5   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   5   13 o 355.3466 11.29298 27.86181       1.757966  0.000000       0.000000  ?              ?        
1 1 1 3   5   14 o 234.3257 8.464046 11.61049       1.166010  12.67206       1.301745  -10.17445      17.02370 
1 1 1 3   5   15 o 537.9557 9.079229 64.11009       3.030290  63.04524       3.029280  4.516052       18.17454 
1 1 1 3   5   16 o 143.7814 11.65447 4.084487       1.043349  5.043907       1.018240  -15.63597      23.92771 
1 1 1 3   5   17 o 520.0362 9.190422 58.52305       2.913543  60.41459       3.018716  -8.056641      18.41402 
1 1 1 3   5   18 o 211.5393 10.98602 10.04095       1.395411  9.687370       1.481821  4.007889       22.19539 
1 1 1 3   5   19 o 264.3644 11.16388 14.47344       1.810575  16.37589       1.843165  -16.45955      22.46394 
1 1 1 3   5   20 o 333.5233 10.31256 24.82990       2.158276  24.22337       2.104765  4.079193       20.70490 
1 1 1 3   5   21 o 383.6367 10.91107 35.46721       2.659774  29.82792       2.532790  33.37836       21.94100 
1 1 1 3   5   22 o 197.5347 16.30748 8.956996       1.874385  8.556538       2.106831  6.053986       33.86289 
1 1 1 3   5   23 o 194.5994 17.04961 9.501482       1.931383  7.511951       2.162936  26.28032       36.57098 
1 1 1 3   5   24 o 322.2284 14.56252 23.00059       2.867183  23.81530       2.940830  -5.411346      29.62573 
1 1 1 3   5   25 o 146.0319 23.28364 3.561141       2.054842  6.707079       2.022369  -48.18482      46.79328 
1 1 1 3   5   26 o 81.79387 29.85208 3.311711       2.081654  0.1442528      1.872929  38.71088       48.17045 
1 1 1 3   5   27 o 171.9369 20.43234 6.852710       2.219831  7.330846       2.062196  -9.294327      44.04382 
1 1 1 3   6   0  o 380.7355 17.55482 29.19784       4.004854  35.12481       4.278513  -35.39569      35.32315 
1 1 1 3   6   1  o 873.5261 15.64808 165.6447       8.393208  169.9917       8.567822  -11.26654      31.37244 
1 1 1 3   6   2  o 425.8452 15.39194 39.14193       3.995563  40.75136       4.126094  -8.549774      30.89709 
1 1 1 3   6   3  o 495.2543 14.39325 54.01280       4.394685  53.89553       4.439971  0.5722351      28.86328 
1 1 1 3   6   4  o 607.1486 13.73456 82.76234       5.182585  79.26586       5.163076  13.15137       27.55095 
1 1 1 3   6   5  o 211.7622 26.31678 8.050243       3.353804  12.13288       3.412181  -45.00134      54.52341 
1 1 1 3   6   6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   6   7  o 495.7336 19.95883 54.24385       4.331078  0.000000       0.000000  ?              ?        
1 1 1 3   6   8  o 760.5380 19.66257 127.6116       6.553873  0.000000       0.000000  ?              ?        
1 1 1 3   6   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   6   10 o 89.95944 32.80539 5.386260       4.131494  0.7270983      1.840127  72.83205       61.47887 
1 1 1 3   6   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   6   12 o 253.7938 18.44777 0.000000       0.000000  14.38803       2.039628  ?              ?        
1 1 1 3   6   13 o 375.7434 10.41520 35.25559       2.452270  27.16987       2.399098  49.21570       21.03458 
1 1 1 3   6   14 o 280.7638 10.26789 18.51782       1.836946  16.33406       1.737743  17.65829       20.61890 
1 1 1 3   6   15 o 73.25509 23.92385 1.445597       1.197798  0.7919861      1.310009  9.323044       39.86827 
1 1 1 3   6   16 o 114.1752 18.22293 3.253101       1.172519  2.552108       1.338449  13.90667       36.68726 
1 1 1 3   6   17 o 414.0323 8.919673 36.88386       2.215924  38.57531       2.373962  -9.187653      17.90621 
1 1 1 3   6   18 o 314.1707 8.792212 22.06132       1.746192  21.39379       1.679362  4.781342       17.63467 
1 1 1 3   6   19 o 701.4050 11.90151 110.3188       5.215546  106.4002       5.141837  12.68103       23.85129 
1 1 1 3   6   20 o 498.4854 9.856128 55.47778       3.028481  53.90541       3.067331  7.266937       19.78418 
1 1 1 3   6   21 o 224.6542 12.39793 10.98364       1.623480  11.46101       1.838625  -4.252502      25.18849 
1 1 1 3   6   22 o 190.7682 15.03047 7.787196       1.747462  8.552805       1.781655  -9.214630      30.75072 
1 1 1 3   6   23 o 376.2229 10.80091 32.07081       2.496353  30.81303       2.540415  7.863403       21.78676 
1 1 1 3   6   24 o 76.39491 27.83211 1.022017       1.686325  1.460083       1.735715  -6.177879      45.75164 
1 1 1 3   6   25 o 158.7803 20.43145 4.579349       1.876892  7.648373       2.068669  -43.38292      42.94314 
1 1 1 3   6   26 o 234.3188 15.37104 13.00196       2.170438  12.14568       2.277177  9.712601       31.85991 
1 1 1 3   6   27 o 132.1405 25.58980 4.053615       2.060120  4.831680       1.985517  -12.90953      49.91024 
1 1 1 3   7   0  o 828.1427 16.11483 148.7509       8.142129  153.2239       8.421782  -12.13776      32.33266 
1 1 1 3   7   1  o 127.4929 43.69576 3.770166       4.083493  2.915967       4.249600  6.174713       72.62456 
1 1 1 3   7   2  o 869.8202 16.19343 165.6037       8.640359  167.2892       8.837882  -4.297180      32.48023 
1 1 1 3   7   3  o 460.9756 16.47901 49.86245       4.711917  43.76770       4.697391  30.28876       33.15308 
1 1 1 3   7   4  o 86.76658 37.90937 0.5056975      3.870745  -1.560073      3.854864  13.62174       64.08035 
1 1 1 3   7   5  o 414.1129 17.85077 39.34241       4.636527  36.37584       4.515447  16.31207       35.89480 
1 1 1 3   7   6  o 819.9559 15.52935 150.7246       7.953507  145.1384       7.845171  15.49530       31.14521 
1 1 1 3   7   7  o 108.1536 41.87312 2.724808       5.325325  1.337331       3.339672  32.13991       72.28412 
1 1 1 3   7   8  o 294.2908 19.30842 20.59697       3.451605  17.68113       3.561734  23.16385       39.33396 
1 1 1 3   7   9  o 273.2170 23.54681 0.000000       0.000000  16.66173       2.794391  ?              ?        
1 1 1 3   7   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   7   11 o 160.0458 24.89249 4.012726       2.639277  7.149542       2.201780  -44.32787      50.71748 
1 1 1 3   7   12 o 88.08425 31.17408 2.624977       2.096526  0.4596662      2.162148  25.17023       50.90924 
1 1 1 3   7   13 o 111.9618 36.46583 2.840333       2.054478  0.000000       0.000000  ?              ?        
1 1 1 3   7   14 o 344.7089 16.09577 0.000000       0.000000  26.31422       2.426972  ?              ?        
1 1 1 3   7   15 o 163.6784 20.63365 6.809443       1.813752  4.632508       2.406979  32.67888       45.29007 
1 1 1 3   7   16 o 196.9979 13.73872 7.487075       1.520484  10.24997       1.869970  -31.27856      27.83044 
1 1 1 3   7   17 o 268.0967 11.87508 16.76812       1.734870  14.19113       2.337013  23.38388       25.75341 
1 1 1 3   7   18 o 279.3517 10.47823 16.35924       1.709459  18.27385       1.936819  -15.31854      21.09807 
1 1 1 3   7   19 f 301.2291 10.97056 19.81050       1.959415  20.22168       2.146380  -2.855713      22.10777 
1 1 1 3   7   20 o 278.2757 10.93815 17.53860       1.906116  16.65959       1.863539  7.166443       21.99058 
1 1 1 3   7   21 o 589.0073 15.83944 0.000000       0.000000  77.18131       4.088531  ?              ?        
1 1 1 3   7   22 o 119.5547 21.90111 3.750974       1.637449  2.994333       1.500328  13.04751       42.69580 
1 1 1 3   7   23 o 237.6813 12.53006 11.55475       1.814240  13.77489       1.868747  -21.35110      25.46695 
1 1 1 3   7   24 o 59.00131 25.16517 0.2768191      1.592236  0.1090729E-01  1.656668  1.563065       41.79044 
1 1 1 3   7   25 o 48.95822 22.95159 -0.3796516     1.705308  -1.732859      1.811337  7.499893       39.36562 
1 1 1 3   7   26 o 63.79460 26.37976 -0.2455968     1.705883  1.300170       1.693932  -15.87690      43.11150 
1 1 1 3   7   27 o 100.0375 30.40021 2.085437       1.875922  3.718916       2.292031  -20.91422      51.54314 
1 1 1 3   7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   8   0  o 613.4705 24.86386 0.000000       0.000000  83.51727       6.676713  ?              ?        
1 1 1 3   8   1  o 582.9272 17.35201 73.71305       6.164931  76.20878       6.375437  -9.593506      34.84171 
1 1 1 3   8   2  o 246.3046 31.89986 12.51751       4.673792  14.98146       4.850198  -22.96672      65.61533 
1 1 1 3   8   3  o 514.3965 17.51029 57.34664       5.551621  59.33968       5.607252  -8.823212      35.16668 
1 1 1 3   8   4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   8   5  o 934.9732 24.75079 193.4468       10.14162  0.000000       0.000000  ?              ?        
1 1 1 3   8   6  o 436.8944 17.56284 44.61732       4.826627  39.76681       4.677077  25.29269       35.32272 
1 1 1 3   8   7  o 245.8333 25.99372 11.80422       3.732549  15.63828       4.101384  -35.57751      53.57516 
1 1 1 3   8   8  o 1092.264 18.41755 264.5761       12.52062  262.0452       12.43755  5.207397       36.95177 
1 1 1 3   8   9  o 361.3137 21.23733 29.02468       3.350937  0.000000       0.000000  ?              ?        
1 1 1 3   8   10 o 309.0861 28.21710 21.61907       3.783398  0.000000       0.000000  ?              ?        
1 1 1 3   8   11 o 82.69361 35.04079 0.1435934      5.073287  0.2761425      2.442688  32.30485       63.63785 
1 1 1 3   8   12 o 301.3745 15.93858 17.10845       3.074736  22.89463       2.873662  -45.31335      33.08182 
1 1 1 3   8   13 o 239.2343 25.36451 13.00723       2.621148  0.000000       0.000000  ?              ?        
1 1 1 3   8   14 o 163.8870 28.97774 5.793039       2.381314  7.181688       3.728508  -15.83286      59.40201 
1 1 1 3   8   15 o 425.9240 11.41312 36.14670       3.027247  43.63907       2.998432  -40.32855      23.01627 
1 1 1 3   8   16 o 182.5329 19.34178 6.663783       1.910441  8.827784       2.532107  -25.35181      40.16593 
1 1 1 3   8   17 f 314.5357 12.19353 22.16168       2.266124  21.40236       2.500334  5.895630       24.67692 
1 1 1 3   8   18 o 125.7098 23.55981 3.343897       1.619772  4.071877       1.970873  -11.95033      45.80435 
1 1 1 3   8   19 o 308.1809 12.62297 23.03004       2.362016  18.73390       2.456859  32.27487       25.66524 
1 1 1 3   8   20 o 195.5748 15.83472 10.02640       1.831157  6.763881       1.987740  40.13115       33.94115 
1 1 1 3   8   21 o 549.8149 16.36176 0.000000       0.000000  67.36097       3.941525  ?              ?        
1 1 1 3   8   22 o 179.4248 16.41091 6.466753       1.748623  8.180300       1.870189  -21.74693      33.89530 
1 1 1 3   8   23 o 71.46529 26.89139 0.4879213      1.635034  1.446724       1.605743  -11.75115      44.04994 
1 1 1 3   8   24 o 81.75007 31.12608 0.000000       0.000000  1.359037       1.545537  ?              ?        
1 1 1 3   8   25 f 172.3730 17.45238 7.676414       1.874524  6.183686       1.808147  20.03915       36.84113 
1 1 1 3   8   26 o 142.5632 20.20939 4.002311       1.786096  5.684760       1.692079  -28.87513      42.45337 
1 1 1 3   8   27 o 210.4507 15.59434 10.90879       2.093658  9.807583       1.956012  10.58142       32.57383 
1 1 1 3   8   28 o 55.59470 25.06583 0.2408070      2.009465  -0.4945090     1.686910  10.15555       41.88948 
1 1 1 3   9   0  o 184.2197 48.05506 7.762503       5.562127  8.524646       5.534064  -6.759338      84.66584 
1 1 1 3   9   1  o 874.0696 18.03820 168.7309       9.757044  168.5893       9.803877  0.4300537      36.25139 
1 1 1 3   9   2  o 189.7544 44.75984 7.436863       5.156301  9.571479       5.209467  -20.47839      80.92749 
1 1 1 3   9   3  o 474.0333 20.68242 49.73018       6.023972  49.73567       6.111132  0.9970093E-01  41.66889 
1 1 1 3   9   4  o 226.4680 40.79196 10.03936       5.280381  14.10738       5.795127  -37.77946      79.44332 
1 1 1 3   9   5  o 720.8102 16.74080 117.5941       7.589747  111.5625       7.385186  18.93799       33.62680 
1 1 1 3   9   6  o 126.4433 48.01703 0.5833743E-01  6.831063  3.798920       4.354881  -1.722061      80.31802 
1 1 1 3   9   7  o 357.6361 20.26026 26.59895       4.275801  30.52483       4.708023  -24.46606      40.95924 
1 1 1 3   9   8  o 273.0960 23.85416 14.84521       3.884013  18.79464       4.128233  -33.12631      48.99605 
1 1 1 3   9   9  o 362.7346 16.12484 30.47577       3.601871  27.76683       3.636800  17.25760       32.55122 
1 1 1 3   9   10 o 166.9342 31.35846 4.165725       3.477062  8.114598       2.866668  -48.27084      59.94473 
1 1 1 3   9   11 o 111.2990 39.84374 3.640388       5.601746  2.333007       2.745534  33.77560       71.40634 
1 1 1 3   9   12 o 92.56223 38.49345 0.000000       0.000000  0.7192870      2.579765  ?              ?        
1 1 1 3   9   13 o 245.0222 28.50077 13.72062       3.006011  0.000000       0.000000  ?              ?        
1 1 1 3   9   14 o 244.6253 17.98822 12.28544       2.704550  14.33402       2.716599  -19.44682      36.66791 
1 1 1 3   9   15 o 400.0371 12.93472 33.04909       3.280723  37.28561       3.135314  -24.47308      26.11808 
1 1 1 3   9   16 o 260.3586 14.58637 16.21461       2.457239  13.96135       2.249261  19.50624       29.42627 
1 1 1 3   9   17 o 137.6570 28.16361 3.741758       2.104432  5.430042       2.630081  -24.62070      53.39429 
1 1 1 3   9   18 o 414.0986 12.19321 35.67080       3.010459  40.36331       3.262082  -25.51068      24.49042 
1 1 1 3   9   19 o 582.3283 17.52353 75.17905       4.470914  0.000000       0.000000  ?              ?        
1 1 1 3   9   20 o 301.2042 13.60577 20.43941       2.404161  19.67204       2.691218  6.577362       27.68504 
1 1 1 3   9   21 o 364.9147 12.42037 31.81186       2.760453  27.04109       2.856889  30.36942       25.19011 
1 1 1 3   9   22 o 113.0760 33.41428 3.139544       1.772355  0.000000       0.000000  ?              ?        
1 1 1 3   9   23 o 210.4367 15.69821 10.03942       1.888571  10.03929       2.220372  2.452255       32.78780 
1 1 1 3   9   24 o 199.2814 16.22519 8.142231       1.841152  10.37759       2.177746  -23.35883      33.59998 
1 1 1 3   9   25 o 161.2632 19.19146 5.669693       1.776345  6.730236       2.009554  -12.72420      40.69724 
1 1 1 3   9   26 o 61.14639 27.61025 -0.3008745     1.786297  -0.1824968     3.333028  -18.85159      48.39788 
1 1 1 3   9   27 f 131.8066 24.99852 4.108686       1.879857  4.959566       2.072559  -10.74001      49.41608 
1 1 1 3   9   28 o 65.54686 27.70061 0.9317197      1.792176  0.2500448      2.122345  2.478706       44.83182 
1 1 1 3   10  0  o 161.1991 61.45757 6.366133       8.501998  4.190084       8.554770  11.28433       100.3745 
1 1 1 3   10  1  o 353.1661 29.03410 32.64634       6.345143  23.89407       6.264748  58.23151       60.64146 
1 1 1 3   10  2  o 188.4890 49.88990 11.82665       5.888309  5.300494       5.959538  55.21735       85.63896 
1 1 1 3   10  3  o 240.8257 40.30423 14.28660       5.592851  12.67462       6.051024  16.05197       80.70216 
1 1 1 3   10  4  o 269.9277 32.74493 16.56596       5.450363  16.64244       5.294770  -1.261322      68.00023 
1 1 1 3   10  5  o 298.8399 27.64970 21.11668       5.163849  19.16381       4.976352  14.77869       56.92988 
1 1 1 3   10  6  o 435.8091 19.82842 35.83051       5.046974  50.24111       5.706339  -74.34842      40.06787 
1 1 1 3   10  7  o 305.7329 26.04534 23.81409       4.605075  17.43436       5.241663  52.10083       56.36506 
1 1 1 3   10  8  o 119.9645 42.10654 2.948988       3.759336  3.142360       4.007053  -3.801903      69.73495 
1 1 1 3   10  9  o 180.6971 30.31764 8.922531       3.297813  6.284616       3.258661  32.04933       60.14337 
1 1 1 3   10  10 o 183.8452 31.85797 7.954146       3.567674  7.900174       3.439066  0.2074738      63.22049 
1 1 1 3   10  11 o 93.07671 38.09395 -1.978021      4.230365  2.459261       3.048192  -17.39755      62.34178 
1 1 1 3   10  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   10  13 o 477.7187 22.23278 50.93759       4.645950  0.000000       0.000000  ?              ?        
1 1 1 3   10  14 o 320.7965 17.08555 19.16660       3.444035  26.19470       3.334052  -51.03217      35.18703 
1 1 1 3   10  15 o 375.1906 14.97871 29.92315       3.449152  32.27886       3.509871  -14.31918      30.13045 
1 1 1 3   10  16 o 144.9787 29.19650 5.976411       2.793417  4.098702       2.336884  26.21584       55.34799 
1 1 1 3   10  17 o 316.5958 14.13978 22.79495       2.889782  21.63795       2.663828  7.948944       28.52375 
1 1 1 3   10  18 o 379.6014 15.09310 33.42056       3.254378  29.67730       3.935937  24.24112       31.41320 
1 1 1 3   10  19 o 235.4473 17.77392 12.41562       2.621850  12.30587       2.533921  0.8073120      36.19804 
1 1 1 3   10  20 o 189.6924 21.91237 7.744784       2.454752  8.654853       2.615017  -10.51497      45.46155 
1 1 1 3   10  21 o 241.4531 24.38404 0.000000       0.000000  13.39639       2.547148  ?              ?        
1 1 1 3   10  22 o 120.0441 29.45969 3.565490       2.037206  3.474845       2.350405  1.083008       53.06926 
1 1 1 3   10  23 o 96.72992 31.50102 2.598192       2.096262  1.969601       2.248104  6.875145       52.36660 
1 1 1 3   10  24 o 104.4520 30.62524 1.912563       1.931934  4.113519       2.355367  -30.32003      52.28270 
1 1 1 3   10  25 f 111.1903 29.28237 3.541415       1.907088  2.850346       2.223721  10.37102       51.38711 
1 1 1 3   10  26 o 66.87455 27.94697 0.2755866      1.795413  1.137871       2.117949  -11.61957      45.86612 
1 1 1 3   10  27 o 112.6152 27.45176 3.230777       1.800195  3.705457       2.018584  -5.364998      49.75357 
1 1 1 3   10  28 f 74.87307 30.55054 2.263555       1.762778  -2.851940      3.617494  17.85196       47.93452 
1 1 1 3   11  0  o 114.7608 52.98839 -0.8428304     8.896892  -6.059298      8.740416  18.65291       89.95967 
1 1 1 3   11  1  o 225.6545 66.14297 8.549156       9.822450  18.39855       9.887583  -60.35622      110.9801 
1 1 1 3   11  2  o 344.6239 41.87962 24.13325       8.709592  32.03540       8.830361  -54.38568      88.97071 
1 1 1 3   11  3  o 225.0351 57.04351 15.59712       8.152595  10.28037       7.803308  39.23038       100.9663 
1 1 1 3   11  4  o 360.9570 36.90764 0.000000       0.000000  30.16305       5.761332  ?              ?        
1 1 1 3   11  5  o 380.4982 24.27564 33.52619       5.524532  31.35960       5.893147  14.50534       49.75014 
1 1 1 3   11  6  o 354.2898 24.43945 28.30730       5.103117  28.14562       5.609149  2.860748       50.19006 
1 1 1 3   11  7  o 261.2582 31.67501 13.82352       4.866398  17.93753       5.208304  -35.60115      66.16934 
1 1 1 3   11  8  o 342.7798 22.91423 24.70195       4.662401  28.46354       5.049405  -24.09174      46.77015 
1 1 1 3   11  9  o 271.2709 24.06863 14.78633       3.913794  18.75255       4.109687  -33.58838      49.87095 
1 1 1 3   11  10 o 295.2370 22.28335 15.22705       4.021234  24.21550       4.081196  -71.60213      47.20533 
1 1 1 3   11  11 o 307.8970 24.24720 18.62084       5.363101  23.07872       4.082195  -40.81955      54.62726 
1 1 1 3   11  12 o 313.2523 27.47847 0.000000       0.000000  22.24272       3.737417  ?              ?        
1 1 1 3   11  13 o 144.5744 39.21450 7.515224       4.188941  3.419347       3.212564  48.23640       68.47952 
1 1 1 3   11  14 o 236.7258 23.06300 12.93387       3.468791  12.23064       3.231444  6.215195       47.46668 
1 1 1 3   11  15 o 551.2419 21.42207 0.000000       0.000000  67.49165       5.169844  ?              ?        
1 1 1 3   11  16 o 478.8640 14.87002 49.03263       4.417958  52.28612       4.405617  -15.60098      29.90834 
1 1 1 3   11  17 o 440.7931 14.67439 40.69823       4.161264  44.96348       3.868478  -22.83151      29.75827 
1 1 1 3   11  18 o 503.0237 14.17861 53.80047       4.432563  58.02704       4.407190  -19.31323      28.52665 
1 1 1 3   11  19 o 335.6524 18.59716 24.03308       3.538729  26.68458       4.280238  -16.04431      38.05825 
1 1 1 3   11  20 o 315.9349 15.96531 25.97581       3.288105  19.18584       2.973139  48.39371       32.36232 
1 1 1 3   11  21 o 149.3890 28.24339 6.152768       2.553165  4.519310       2.490839  22.64658       54.58939 
1 1 1 3   11  22 o 267.0867 16.89919 14.54107       2.687549  17.97907       2.894987  -28.73439      34.59285 
1 1 1 3   11  23 f 87.19291 31.79669 0.7010624      2.217036  2.784466       2.249864  -23.09196      51.66956 
1 1 1 3   11  24 o 86.68730 31.72538 2.291921       2.183219  1.159032       2.271851  11.51675       51.63082 
1 1 1 3   11  25 f 146.1584 26.80211 5.435375       2.241397  5.462374       2.454013  2.212234       53.50853 
1 1 1 3   11  26 o 95.21866 32.76308 2.179619       2.105150  3.124494       2.681453  -10.97839      53.97244 
1 1 1 3   11  27 o 85.47656 31.64551 2.148848       2.181134  1.905636       2.272980  2.133179       50.79219 
1 1 1 3   11  28 o 57.83857 26.54721 0.1051255      2.131594  -0.7253566     2.205097  4.383949       43.61631 
1 1 1 3   12  0  o 614.5339 22.79108 80.13401       8.417005  88.68578       8.954073  -30.80554      46.04124 
1 1 1 3   12  1  o 527.7317 33.09827 65.14516       11.01474  62.24065       10.56075  11.00348       68.09818 
1 1 1 3   12  2  o 397.0815 44.56959 30.13263       10.51701  45.81926       11.08326  -92.01587      95.97538 
1 1 1 3   12  3  o 156.9765 63.48714 1.955617       9.345022  6.929334       9.829858  -24.72226      103.4207 
1 1 1 3   12  4  o 185.0641 59.73129 7.806912       7.475690  9.806172       8.183959  -14.70909      99.65378 
1 1 1 3   12  5  o 270.1124 44.78631 18.96151       6.674414  15.87259       7.983047  31.75639       91.46647 
1 1 1 3   12  6  o 132.4098 57.01816 1.124744       5.998342  0.000000       0.000000  ?              ?        
1 1 1 3   12  7  o 102.8384 44.07639 0.5292400      4.736221  0.2099834      5.372532  -4.512970      73.33888 
1 1 1 3   12  8  o 144.4415 46.00434 5.310820       4.356260  4.656658       4.991386  2.755447       77.16296 
1 1 1 3   12  9  o 338.9172 21.42483 23.48977       4.243058  28.72094       4.764653  -33.80850      43.65882 
1 1 1 3   12  10 o 225.9754 29.98431 10.61668       4.180400  12.88660       4.023100  -24.47813      62.50282 
1 1 1 3   12  11 o 225.1284 33.01313 12.48091       5.745678  11.42912       3.789091  2.759781       71.24949 
1 1 1 3   12  12 o 248.1297 32.03894 9.439469       7.598978  15.27575       3.809801  -58.47803      78.15866 
1 1 1 3   12  13 o 158.4243 40.89975 2.835466       4.724428  7.742552       3.596266  -43.88136      70.39697 
1 1 1 3   12  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   12  15 o 95.27119 37.23687 -0.2280563     3.259399  2.751566       3.120859  -24.30854      61.03977 
1 1 1 3   12  16 o 509.1831 22.97819 57.97301       5.118828  0.000000       0.000000  ?              ?        
1 1 1 3   12  17 o 101.4384 37.40044 2.164814       3.270118  1.802512       2.959403  6.733749       61.82493 
1 1 1 3   12  18 o 228.4921 24.92637 11.33767       3.656359  12.24164       3.319588  -10.93414      52.22052 
1 1 1 3   12  19 o 93.75864 41.34216 -0.4895388     3.316695  0.000000       0.000000  ?              ?        
1 1 1 3   12  20 o 184.3888 26.05378 6.504173       3.013745  9.077022       2.793031  -33.65337      54.14861 
1 1 1 3   12  21 o 104.3182 36.89731 0.8962484      2.796905  4.534857       3.208300  -39.40856      60.48581 
1 1 1 3   12  22 o 384.1181 21.95105 34.10167       3.683064  0.000000       0.000000  ?              ?        
1 1 1 3   12  23 o 129.9249 31.35932 6.579137       2.524723  2.274363       2.472774  55.91033       54.06873 
1 1 1 3   12  24 o 86.97005 32.62096 -0.1401892     2.355510  3.731245       2.405351  -39.43648      52.09519 
1 1 1 3   12  25 o 87.18880 32.54981 3.390043       2.400323  0.5418018      2.329209  28.71002       52.23326 
1 1 1 3   12  26 o 139.3164 28.89632 5.135600       2.410514  5.365101       2.420058  -3.068748      55.54221 
1 1 1 3   12  27 o 64.70708 28.55014 -0.2280513     2.252230  0.9383606      2.228490  -8.027596      46.23340 
1 1 1 3   12  28 o 57.82882 26.80047 0.2925012      2.371044  -1.012750      2.210851  9.211369       44.15791 
1 1 1 3   13  0  f 269.3398 43.11074 24.60807       7.119994  9.742785       6.810310  119.6928       84.33219 
1 1 1 3   13  1  o 444.7070 27.32220 43.95078       7.432233  44.60604       7.571179  -3.071533      55.54735 
1 1 1 3   13  2  o 176.1738 53.56085 8.399528       6.356112  6.513225       6.387703  14.45650       90.56413 
1 1 1 3   13  3  o 316.9989 34.01114 23.16941       6.411149  22.99788       6.770608  3.023041       71.25741 
1 1 1 3   13  4  o 177.0177 64.40419 12.67251       8.718760  0.6791816      9.663597  59.49304       103.0250 
1 1 1 3   13  5  o 155.0316 63.57721 6.416553       9.664783  0.9949498      9.871190  22.35712       103.4993 
1 1 1 3   13  6  o 383.4316 45.64641 32.21737       10.58743  38.42165       10.70175  -38.53394      97.85583 
1 1 1 3   13  7  o 310.4085 38.01449 22.79270       6.735523  22.39494       7.694156  8.871277       80.99272 
1 1 1 3   13  8  o 155.7173 50.11648 6.819320       5.414227  4.763121       5.585133  15.59497       83.57211 
1 1 1 3   13  9  o 328.8939 30.22455 25.95676       6.440683  23.62160       5.803916  13.91754       62.81401 
1 1 1 3   13  10 o 82.95267 37.26311 0.7190868      4.272246  -2.553713      3.767586  25.78556       63.92527 
1 1 1 3   13  11 o 146.5391 44.30941 9.003914       6.083007  3.649380       3.586246  59.45528       79.00928 
1 1 1 3   13  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   13  13 o 326.9125 23.76516 23.99093       5.291561  23.80874       4.402911  -1.135162      49.32091 
1 1 1 3   13  14 o 249.2499 28.92929 15.05591       4.784307  13.41104       4.079315  12.78345       60.34656 
1 1 1 3   13  15 o 285.4373 23.16535 20.17513       4.143661  16.53099       3.993487  29.38504       47.56486 
1 1 1 3   13  16 o 268.8365 23.70851 15.12724       3.932900  17.45789       3.893941  -20.62337      49.02993 
1 1 1 3   13  17 o 409.3709 18.50484 40.12169       4.943711  35.00247       4.466518  27.50189       37.41816 
1 1 1 3   13  18 o 139.8065 39.18477 4.672778       3.805201  4.685345       3.313624  1.845398       67.90671 
1 1 1 3   13  19 o 248.2674 25.11185 17.05419       4.174489  11.94842       3.533607  44.79958       52.24526 
1 1 1 3   13  20 o 86.30766 35.68572 -0.1206398     3.310126  1.500161       2.942847  -8.197350      58.75245 
1 1 1 3   13  21 o 160.4903 29.98933 6.922976       3.047476  5.733053       2.730295  13.77701       58.82080 
1 1 1 3   13  22 o 134.8166 37.48762 4.863503       3.066071  4.752837       3.467520  1.555450       64.94608 
1 1 1 3   13  23 o 98.29125 36.68230 2.603945       2.849783  2.187982       3.181113  1.948647       59.34768 
1 1 1 3   13  24 o 55.45044 26.43766 -4.129718      2.606492  0.4091488      2.444848  -21.28454      45.60311 
1 1 1 3   13  25 o 93.69203 33.65510 3.465667       2.553839  1.498319       2.430485  19.93144       54.29653 
1 1 1 3   13  26 o 61.44888 27.83988 1.319784       2.420681  -1.356536      2.172153  20.66528       46.37532 
1 1 1 3   13  27 o 50.86684 24.50251 -1.552917      2.386791  -1.541397      2.209001  2.157990       41.42195 
1 1 1 3   13  28 o 64.29308 30.90590 0.1472023      3.548939  -2.539227      3.661476  8.343246       50.05893 
1 1 1 3   14  0  o 452.8649 30.71124 42.73970       8.662032  49.04065       8.493279  -32.86060      62.87109 
1 1 1 3   14  1  o 595.0203 28.26606 66.21938       12.44619  85.79637       9.119573  -85.02490      63.65664 
1 1 1 3   14  2  o 252.5506 42.61364 15.39968       6.014887  14.09829       6.966710  13.38269       85.44344 
1 1 1 3   14  3  f 385.9860 28.91427 28.64582       6.366076  40.15347       7.523593  -65.75467      59.08733 
1 1 1 3   14  4  o 573.6116 30.33630 73.95419       7.605625  0.000000       0.000000  ?              ?        
1 1 1 3   14  5  o 399.8151 42.72450 0.000000       0.000000  37.07610       7.376687  ?              ?        
1 1 1 3   14  6  o 132.4820 54.18649 4.486803       6.574090  -1.264394      7.700419  21.09442       88.85252 
1 1 1 3   14  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   14  8  o 311.9952 47.00220 27.92218       8.357968  16.90413       9.355107  83.87231       96.84698 
1 1 1 3   14  9  o 355.0757 40.87431 28.02236       8.474813  30.55849       9.254460  -13.54388      85.86279 
1 1 1 3   14  10 f 172.9467 44.34977 5.582948       4.857116  8.592381       4.706912  -28.68492      77.90047 
1 1 1 3   14  11 o 183.9696 48.85668 6.220180       8.838501  8.621073       4.497554  -3.228729      90.19082 
1 1 1 3   14  12 o 369.6471 34.49970 -1.094729      7.406340  71.63857       8.310323  -423.9919      70.11555 
1 1 1 3   14  13 o 104.6270 48.77172 0.000000       0.000000  -4.313084      5.477078  ?              ?        
1 1 1 3   14  14 o 665.1804 22.10171 103.3434       11.45986  96.47080       7.785052  14.28448       47.68525 
1 1 1 3   14  15 o 120.8469 41.61187 2.607933       3.712613  3.834441       3.846227  -12.33864      68.93092 
1 1 1 3   14  16 o 182.9822 36.36086 12.49304       4.218802  4.329393       3.780663  87.42224       66.13874 
1 1 1 3   14  17 o 147.4771 42.14885 6.516325       4.052665  3.964901       4.044420  25.61559       71.96983 
1 1 1 3   14  18 o 353.9419 30.69563 0.000000       0.000000  28.83771       4.718445  ?              ?        
1 1 1 3   14  19 o 297.8876 25.09925 19.93167       4.803021  20.66309       4.411649  -8.248932      52.45039 
1 1 1 3   14  20 o 138.3111 39.94157 2.061931       4.096773  6.667599       3.275010  -42.96643      66.07381 
1 1 1 3   14  21 o 259.9735 22.75016 15.60930       3.827003  15.81750       3.463912  -5.323502      48.10308 
1 1 1 3   14  22 o 295.1325 20.11236 17.88311       3.799152  22.29372       3.535285  -38.55850      42.91353 
1 1 1 3   14  23 o 233.1515 22.66419 12.26596       3.345085  13.76676       3.137992  -18.97412      49.27164 
1 1 1 3   14  24 o 100.5586 38.13420 1.980086       3.118900  3.841070       3.451771  -15.62587      61.12554 
1 1 1 3   14  25 o 117.8332 38.88243 4.814785       3.098978  4.082742       3.542831  8.052238       62.90619 
1 1 1 3   14  26 o 97.19090 36.92958 2.640733       2.807442  3.494061       3.431341  -6.693443      58.55659 
1 1 1 3   14  27 o 78.30639 33.10120 0.7776306      2.647909  2.520979       2.902097  -12.53500      52.23819 
1 1 1 3   14  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   15  0  o 918.5260 23.99600 179.9324       13.61580  195.2598       13.70615  -38.19513      48.39640 
1 1 1 3   15  1  o 126.6082 53.32570 1.155324       6.766501  0.5996564      7.576782  -4.298843      88.78787 
1 1 1 3   15  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   15  3  o 160.2801 55.47261 5.839932       6.119123  5.158160       7.532246  -3.891479      92.38339 
1 1 1 3   15  4  o 140.9823 56.35107 0.1253361      6.043092  10.96434       10.76153  -90.17114      100.5235 
1 1 1 3   15  5  o 355.3810 31.95142 23.72779       6.746490  33.96648       7.214157  -66.36743      66.44827 
1 1 1 3   15  6  o 298.1703 45.25477 16.21359       7.450283  27.35877       8.977095  -79.16844      91.61836 
1 1 1 3   15  7  o 105.5511 47.86190 1.106003       6.408233  -6.592998      7.213201  24.10119       81.14715 
1 1 1 3   15  8  o 116.7922 45.86339 4.022285       4.906929  0.6083626E-01  4.804951  28.89019       75.45050 
1 1 1 3   15  9  o 246.8067 34.98500 12.81469       5.099099  15.26771       5.320441  -22.30733      71.75365 
1 1 1 3   15  10 o 117.6461 50.33244 0.3370594      4.617676  0.000000       0.000000  ?              ?        
1 1 1 3   15  11 o 159.7367 61.70893 6.266929       8.473566  2.904317       8.893694  15.07602       101.0038 
1 1 1 3   15  12 o 319.5593 46.99803 20.59850       9.541098  27.16120       8.607507  -51.55023      97.82217 
1 1 1 3   15  13 o 160.5760 60.06533 5.570794       8.709910  5.288815       7.533389  7.744919       98.64139 
1 1 1 3   15  14 o 226.1480 51.02041 12.41808       6.335902  13.20747       7.890110  -3.755432      95.08934 
1 1 1 3   15  15 o 175.3166 49.53233 9.056267       6.275017  6.707631       5.140149  21.81946       86.03206 
1 1 1 3   15  16 o 93.48423 41.88623 -1.886329      5.071896  -0.3612792     4.957633  -6.475021      70.66654 
1 1 1 3   15  17 o 84.71022 39.81275 2.153763       5.552739  -8.175343      5.152688  48.35388       70.25717 
1 1 1 3   15  18 o 136.5198 47.64437 6.943865       5.055815  2.040568       4.869086  38.92095       77.76667 
1 1 1 3   15  19 o 290.2301 27.90265 18.09801       5.736319  20.58106       4.434542  -31.57068      62.90815 
1 1 1 3   15  20 o 83.56870 37.23521 3.362365       4.190837  -3.145052      3.669056  43.48892       63.06956 
1 1 1 3   15  21 f 79.06922 34.73737 0.1405536      3.313844  0.4906484E-01  3.253973  1.226433       57.36024 
1 1 1 3   15  22 o 85.04515 36.27126 -1.637396      3.731798  2.819966       3.100075  -22.91158      58.17237 
1 1 1 3   15  23 o 122.9798 38.39363 2.593702       3.433526  5.864540       3.089597  -32.12869      62.63348 
1 1 1 3   15  24 o 97.84259 37.41937 1.169311       3.498957  3.834424       2.916041  -18.69597      58.95405 
1 1 1 3   15  25 o 86.13692 34.84335 3.691469       3.134456  0.8145642      2.688019  22.56184       55.59321 
1 1 1 3   15  26 o 63.40464 29.49893 -0.1120072     3.055102  -0.6190783     2.619065  6.112419       48.22639 
1 1 1 3   15  27 o 70.57793 31.67675 1.781886       3.081534  -0.1017757E-01 2.714949  11.46671       50.38079 
1 1 1 3   16  0  o 185.1042 60.94448 8.106224       7.633748  8.246859       8.677677  -4.861282      101.6821 
1 1 1 3   16  1  o 379.7052 35.06448 25.95733       7.614319  42.32101       8.857582  -96.24652      73.28696 
1 1 1 3   16  2  o 324.2459 40.50483 19.77814       7.337916  30.89194       8.799205  -74.02954      84.29463 
1 1 1 3   16  3  o 259.7987 54.81721 14.30614       6.996206  22.52193       12.04767  -50.50946      108.9891 
1 1 1 3   16  4  o 204.4769 54.22354 12.89499       6.885335  7.238977       7.097591  43.90141       93.91914 
1 1 1 3   16  5  o 221.9739 51.13078 11.89923       6.602424  11.85737       7.230996  0.2965393      93.71279 
1 1 1 3   16  6  o 175.3079 59.80640 3.632877       7.269710  11.55487       8.463190  -56.50960      98.98083 
1 1 1 3   16  7  o 192.4917 55.46252 10.84009       6.711836  6.780115       7.289758  28.94458       94.44477 
1 1 1 3   16  8  o 193.1854 45.32352 7.765044       5.484488  9.977677       5.201184  -20.48938      82.13599 
1 1 1 3   16  9  o 121.6088 47.52716 0.3443775      5.174939  4.319843       5.211057  -27.37294      78.03226 
1 1 1 3   16  10 o 125.5876 45.81976 1.675876       5.110267  4.159430       4.276798  -12.15131      75.33360 
1 1 1 3   16  11 o 268.8915 34.50585 14.34331       7.053271  17.78871       4.813883  -39.19902      77.58094 
1 1 1 3   16  12 o 133.8627 48.63235 13.22007       6.595767  -0.5624641     4.450569  116.8675       79.80212 
1 1 1 3   16  13 o 117.3800 47.94568 -5.629523      8.861865  3.502804       4.354311  -4.604324      80.50974 
1 1 1 3   16  14 f 153.8111 56.12221 1.360590       6.130880  12.44367       8.248911  -79.31670      93.31073 
1 1 1 3   16  15 o 319.5810 38.03832 21.56239       10.57064  24.72715       6.014649  -48.37665      92.80200 
1 1 1 3   16  16 o 94.35412 45.69311 -15.40527      8.417605  -1.372983      8.070337  -34.55981      80.66391 
1 1 1 3   16  17 o 143.3911 58.17177 -0.6164333     8.417048  7.459444       7.762383  -34.99655      93.73979 
1 1 1 3   16  18 o 101.5566 47.53490 -4.458415      8.159102  -2.305002      6.949882  2.220673       80.13271 
1 1 1 3   16  19 o 98.05009 41.40245 1.622221       4.305600  0.4887519      4.334767  6.692238       67.77820 
1 1 1 3   16  20 o 118.7803 46.75703 3.299843       4.909823  3.426778       5.217814  -2.100113      75.13756 
1 1 1 3   16  21 o 200.2622 45.47290 13.48435       5.545233  9.842802       5.494226  31.36729       84.00462 
1 1 1 3   16  22 o 68.68083 33.06774 -7.838246      4.197752  2.329598       4.131274  -36.58224      57.21285 
1 1 1 3   16  23 o 78.76068 36.80930 -2.336077      5.024595  0.2721430      4.048920  -3.261642      59.88140 
1 1 1 3   16  24 o 133.4374 42.16845 6.214202       4.898483  6.086349       3.344688  -8.751991      68.78006 
1 1 1 3   16  25 o 93.53315 37.69155 2.119811       3.657031  3.394040       3.129291  -7.671074      58.40799 
1 1 1 3   16  26 o 85.30794 35.28559 5.943922       3.350008  -0.1757821     2.806667  40.68054       55.98875 
1 1 1 3   16  27 o 64.66587 30.31521 -0.9665284     3.292938  0.6612601      2.875912  -4.393646      48.16214 
1 1 1 3   17  0  o 187.9303 64.17677 5.893775       8.503559  11.24077       9.548205  -35.78413      106.3252 
1 1 1 3   17  1  o 156.1990 64.81554 3.117026       8.506532  1.922444       14.15683  -28.21852      110.3493 
1 1 1 3   17  2  o 146.9098 61.23366 4.413664       7.591752  -3.886182      12.95197  -2.399338      102.5024 
1 1 1 3   17  3  o 152.7784 57.27306 1.615909       7.152804  8.092543       7.530612  -40.90886      93.61820 
1 1 1 3   17  4  o 240.6425 50.01104 12.29998       6.881093  16.26636       7.617845  -31.12616      94.59194 
1 1 1 3   17  5  o 187.4094 57.31647 7.846053       7.004058  9.544421       7.596885  -13.81921      96.96912 
1 1 1 3   17  6  o 283.4717 50.34850 14.13765       8.022366  26.29212       9.145887  -87.38589      98.19844 
1 1 1 3   17  7  o 249.8039 49.21366 12.21141       7.190060  18.33139       7.531168  -49.05530      93.91253 
1 1 1 3   17  8  o 104.2328 45.35773 1.191811       5.773171  -1.341146      5.231639  19.06934       76.19685 
1 1 1 3   17  9  o 302.8698 32.07899 20.35900       6.003409  21.67821       5.869596  -11.06393      67.10230 
1 1 1 3   17  10 o 171.3999 46.35048 5.968508       5.598789  8.025446       4.629538  -16.36299      80.73828 
1 1 1 3   17  11 o 129.6217 48.19943 7.784639       7.293431  1.906989       4.228669  60.01299       84.31110 
1 1 1 3   17  12 o 175.8691 51.22836 0.5405175      7.045118  11.64899       5.215024  -74.97832      82.10111 
1 1 1 3   17  13 o 188.8811 52.96527 11.30756       10.61026  8.454297       5.056252  27.28307       99.16187 
1 1 1 3   17  14 o 287.7332 58.69600 21.16485       7.156742  0.000000       0.000000  ?              ?        
1 1 1 3   17  15 x ?        ?        -38.83615      6.941059  -15.29784      5.421782  ?              ?        
1 1 1 3   17  16 o 315.4447 28.86111 26.16003       5.751710  20.14279       5.431883  43.52399       60.59789 
1 1 1 3   17  17 o 149.4892 52.07214 5.673081       4.878285  5.831146       8.167994  -11.29144      87.89463 
1 1 1 3   17  18 o 93.97422 41.01555 1.354489       4.664355  -0.6623200     4.372738  13.85029       67.83142 
1 1 1 3   17  19 o 81.01944 37.30936 -1.087494      4.372355  -1.423228      4.288847  2.382019       62.45296 
1 1 1 3   17  20 o 105.4829 48.64462 0.6164956      8.210642  -0.4859327     6.787617  9.573692       78.64780 
1 1 1 3   17  21 o 195.4940 61.55182 19.55390       8.779328  12.04184       7.943500  31.14395       97.95933 
1 1 1 3   17  22 o 106.8173 48.86868 -0.1048166     8.070066  4.151392       6.660742  -9.078156      75.42262 
1 1 1 3   17  23 o 111.1654 49.58481 5.599062       7.742978  4.080730       6.348102  4.515343       74.60534 
1 1 1 3   17  24 o 100.6175 43.58123 4.828427       4.409346  1.858341       5.960423  10.99963       65.62945 
1 1 1 3   17  25 o 73.21165 33.88555 1.630628       3.435591  -1.357047      3.880879  9.964745       53.65599 
1 1 1 3   17  26 o 97.83563 41.82745 8.024384       4.951997  2.107600       4.159257  22.11339       62.51268 
1 1 1 3   17  27 o 83.55161 37.44561 5.237449       4.534861  1.338033       3.633190  14.07059       56.47040 
1 1 1 3   18  0  o 394.2752 50.73545 29.51678       10.00445  59.87831       16.61851  -129.8663      110.0745 
1 1 1 3   18  1  o 172.0291 67.80698 11.53927       10.47730  -0.7865392     10.82561  53.51634       109.5581 
1 1 1 3   18  2  o 193.4951 62.57339 9.278612       8.526894  9.017505       8.601035  1.418243       104.4121 
1 1 1 3   18  3  o 155.2848 59.82281 5.666965       7.927362  3.190215       8.365192  10.75821       97.92857 
1 1 1 3   18  4  o 125.1323 54.82520 -2.183646      7.777513  1.881912       8.533288  -23.26535      91.87075 
1 1 1 3   18  5  o 361.4198 57.75239 0.000000       0.000000  32.18492       8.847486  ?              ?        
1 1 1 3   18  6  o 109.4282 49.94224 0.6801996E-01  7.884226  -4.686683      7.215789  24.34677       85.12407 
1 1 1 3   18  7  o 229.7188 54.00230 12.09403       7.712442  14.19395       7.425145  -16.73051      98.31864 
1 1 1 3   18  8  o 118.3569 49.99376 1.607620       6.477507  0.4468982      6.140857  8.989136       82.79269 
1 1 1 3   18  9  o 174.5149 64.47231 6.972564       6.526096  0.000000       0.000000  ?              ?        
1 1 1 3   18  10 o 370.2805 28.67278 36.18604       7.546604  28.15144       5.844282  43.04535       59.60552 
1 1 1 3   18  11 o 217.3952 48.65499 18.27017       8.871374  9.343273       5.258603  65.63971       94.16451 
1 1 1 3   18  12 o 284.7487 40.30777 6.983638       7.682790  27.55247       6.348499  -161.7485      81.60592 
1 1 1 3   18  13 o 107.7566 48.35924 -1.609113      11.58733  -1.147260      5.203300  47.48202       89.28711 
1 1 1 3   18  14 f 153.9752 65.50844 3.249749       7.744910  0.000000       0.000000  ?              ?        
1 1 1 3   18  15 o 318.8559 34.23779 21.38509       7.532446  25.76344       6.043041  -45.53650      76.94865 
1 1 1 3   18  16 o 115.0322 52.02679 -0.6544893     5.617209  0.000000       0.000000  ?              ?        
1 1 1 3   18  17 o 119.2255 51.01696 1.946283       4.745623  0.000000       0.000000  ?              ?        
1 1 1 3   18  18 o 147.4500 47.31992 7.958769       4.977138  4.379833       4.833420  28.55257       78.00060 
1 1 1 3   18  19 o 80.32321 37.79728 -4.014188      4.646489  0.3506839      5.060974  -20.41627      63.84718 
1 1 1 3   18  20 o 138.1969 44.90692 8.563837       4.412526  3.293526       4.402741  41.85639       72.43404 
1 1 1 3   18  21 o 99.95053 42.07055 0.6357659      4.406287  4.433568       4.470128  -20.59455      66.36928 
1 1 1 3   18  22 o 134.8755 46.92267 3.670726       5.066120  9.024115       4.586831  -36.58547      72.94315 
1 1 1 3   18  23 f 62.86095 31.05991 -6.414772      4.842434  -2.116097      4.100032  -5.279671      51.87490 
1 1 1 3   18  24 o 74.22661 34.48470 -1.060789      4.077177  1.560259       3.608935  -7.974792      54.30253 
1 1 1 3   18  25 o 68.34585 33.43144 1.229777       7.956754  -2.201781      3.681307  18.14802       55.47020 
1 1 1 3   18  26 o 99.65580 46.82370 4.824903       8.374979  10.10889       6.670906  -12.12483      64.76388 
1 1 1 3   18  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   19  0  o 159.7748 65.05028 6.281276       10.45559  3.705490       9.839548  13.32298       105.2719 
1 1 1 3   19  1  o 142.0294 59.37231 7.722789       8.798333  -2.318005      8.693628  45.02753       96.82352 
1 1 1 3   19  2  o 175.4503 63.06752 10.66282       8.647714  4.050434       8.846181  35.90198       102.4197 
1 1 1 3   19  3  o 328.8759 46.01537 24.21339       8.775126  28.11133       9.533900  -23.26968      96.68182 
1 1 1 3   19  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   19  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   19  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   19  7  o 413.8850 37.41983 44.41263       9.925955  35.71081       9.130839  46.03879       78.41945 
1 1 1 3   19  8  o 455.1228 36.24638 49.66833       10.30892  46.16411       9.995670  16.73798       75.46732 
1 1 1 3   19  9  o 144.5276 52.63457 8.550631       6.786803  1.756696       5.612424  52.67860       86.87537 
1 1 1 3   19  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   19  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   19  12 o 68.75976 34.50861 -21.34172      7.797708  -7.647535      5.592486  -4.632523      62.83489 
1 1 1 3   19  13 o 101.2247 47.73965 0.000000       0.000000  -4.312092      5.515439  ?              ?        
1 1 1 3   19  14 o 158.7448 72.12357 2.233398       10.94411  0.000000       0.000000  ?              ?        
1 1 1 3   19  15 o 168.1251 52.21058 9.090441       7.213520  7.031739       5.266035  15.19095       88.78909 
1 1 1 3   19  16 o 151.2146 51.04214 8.454595       6.296053  4.912969       5.214057  26.06970       84.26743 
1 1 1 3   19  17 o 245.6224 36.96847 13.52663       5.567675  17.20118       5.354996  -37.47374      78.23142 
1 1 1 3   19  18 o 121.3383 47.17025 6.132627       5.277805  2.059811       4.927292  25.93338       75.36718 
1 1 1 3   19  19 o 83.70187 38.81998 -0.1355383     4.799065  -1.444875      4.823589  4.961540       63.53259 
1 1 1 3   19  20 o 87.20894 39.53006 0.6359743      4.467122  0.5521751      4.781749  -1.281052      63.22182 
1 1 1 3   19  21 o 81.60112 38.15706 1.993736       5.083097  -2.386231      4.562192  18.44096       62.07140 
1 1 1 3   19  22 o 78.98740 36.91763 -0.3135531E-01 4.532150  0.7818088E-01  4.441351  0.3311157E-01  58.67836 
1 1 1 3   19  23 o 66.33072 32.51964 -3.166790      4.737800  -1.921578      4.379973  -1.163620      52.79496 
1 1 1 3   19  24 o 77.39215 35.78273 3.102973       4.139411  -0.8839981     3.949240  15.38625       55.91459 
1 1 1 3   19  25 o 58.60029 29.10711 -2.440439      4.454939  -3.162668      3.787531  4.928589       47.30609 
1 1 1 3   19  26 f 61.49413 30.09652 -1.843894      4.253497  -0.5877410     3.535501  -0.2528610     47.46255 
1 1 1 3   20  0  o 160.0943 65.74983 -4.373707      9.801538  19.70814       11.28410  -100.9535      105.8689 
1 1 1 3   20  1  o 300.1412 51.03597 21.40060       8.762296  25.66122       9.622470  -23.94965      104.8331 
1 1 1 3   20  2  o 265.2946 56.76182 11.81284       8.569457  27.53471       9.642834  -105.0681      103.8249 
1 1 1 3   20  3  f 132.0107 57.31799 -4.381335      8.327532  8.083312       9.161097  -55.25457      94.76328 
1 1 1 3   20  4  o 240.7708 78.69928 0.000000       0.000000  17.59254       9.564875  ?              ?        
1 1 1 3   20  5  o 224.9474 59.87732 28.09396       9.270070  3.015101       7.898291  165.5668       94.80189 
1 1 1 3   20  6  o 207.2026 57.79377 8.187300       8.194400  13.90226       7.298418  -40.36444      98.54432 
1 1 1 3   20  7  o 113.8026 51.41670 -5.263226      7.812719  2.412508       7.659115  -28.09533      85.92204 
1 1 1 3   20  8  o 154.0530 58.44398 5.118912       8.136412  5.575284       7.307875  1.096878       95.03529 
1 1 1 3   20  9  f 99.59314 44.54799 1.624471       6.390011  -2.400069      5.112324  30.85754       75.93730 
1 1 1 3   20  10 o 160.6633 53.61432 18.11179       8.244034  1.928212       5.255763  119.2590       89.94859 
1 1 1 3   20  11 o 119.7126 50.38092 9.837811       8.782733  -1.148383      5.238708  76.36423       88.85355 
1 1 1 3   20  12 o 125.2950 51.36934 0.8547809      7.765528  3.604152       5.534411  -0.5031281     83.91019 
1 1 1 3   20  13 o 111.4968 51.45965 0.000000       0.000000  -1.781473      5.871485  ?              ?        
1 1 1 3   20  14 o 106.5822 50.55569 6.135960       12.27297  -7.467951      7.427673  58.90689       90.92065 
1 1 1 3   20  15 o 109.5117 47.57742 0.6194897      7.142112  1.769180       5.289970  5.557564       77.57632 
1 1 1 3   20  16 o 145.6207 52.59344 4.596467       7.006639  7.502387       5.459373  -16.06061      83.76939 
1 1 1 3   20  17 o 111.2634 46.11998 5.473959       5.427827  0.5617404      5.022090  27.90296       73.77795 
1 1 1 3   20  18 o 87.36431 40.21999 1.151410       5.189849  -1.475885      4.878620  12.09065       65.38763 
1 1 1 3   20  19 o 112.7978 45.65679 1.382580       4.900988  6.984707       5.017484  -29.88139      71.06869 
1 1 1 3   20  20 o 71.24823 34.73953 -3.363761      4.667756  -3.176720      5.376703  -5.156380      57.77620 
1 1 1 3   20  21 o 74.80500 35.62234 1.154283       4.325974  -3.592006      4.812684  12.42611       57.40621 
1 1 1 3   20  22 o 85.33385 39.22011 4.410593       4.726589  -1.116332      4.779099  18.92488       60.67115 
1 1 1 3   20  23 o 73.27290 36.20841 -4.253593      5.072235  4.005779       7.826368  -19.23696      58.26951 
1 1 1 3   20  24 o 66.58323 32.74008 -3.372815      4.902807  0.1489050      4.554884  -6.289627      51.55342 
1 1 1 3   20  25 o 67.54253 32.62054 1.261646       4.210220  -1.087472      4.051022  6.569153       50.47049 
1 1 1 3   20  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   21  0  o 130.8649 59.75534 2.885253       10.16936  -0.5649355     11.54999  4.619095       95.04589 
1 1 1 3   21  1  o 126.7013 58.20245 0.5790394      9.854641  -1.173038      11.16223  -0.5795746     94.10088 
1 1 1 3   21  2  o 125.2787 56.85567 6.341980       10.19161  -4.904039      9.075871  40.11435       93.70078 
1 1 1 3   21  3  o 151.7492 60.87562 5.476988       8.202987  5.855436       9.371211  -5.000275      97.36419 
1 1 1 3   21  4  o 173.1996 62.96481 6.597356       8.451582  10.81977       9.077433  -22.45871      101.3625 
1 1 1 3   21  5  f 128.1923 55.01732 3.630802       7.889019  0.5263914      7.807679  13.43188       89.23174 
1 1 1 3   21  6  o 135.9537 57.08701 5.083923       8.080449  1.125543       8.201870  16.48540       92.05972 
1 1 1 3   21  7  o 120.6807 53.94070 -3.739915      8.199247  4.148948       8.323866  -29.56252      88.62849 
1 1 1 3   21  8  o 92.35309 44.70683 -7.201543      8.441729  -6.354714      7.396280  5.867332       77.00625 
1 1 1 3   21  9  o 92.81333 42.98981 -7.208109      6.737777  0.9839923      5.271572  -17.58727      71.99643 
1 1 1 3   21  10 o 134.0181 52.29790 2.014109       8.536873  4.908631       5.199437  -0.8976746E-01 85.58939 
1 1 1 3   21  11 f 118.0985 50.61173 0.5554329      8.872272  2.313073       5.514566  10.83709       83.62683 
1 1 1 3   21  12 o 124.6391 51.55772 -0.9803962     7.956724  5.171564       5.625914  -17.06526      82.30325 
1 1 1 3   21  13 o 97.08719 46.31593 0.000000       0.000000  -3.775256      5.489215  ?              ?        
1 1 1 3   21  14 o 118.5358 58.59717 -8.579845      11.18456  0.000000       0.000000  ?              ?        
1 1 1 3   21  15 o 101.9917 45.91158 3.078685       7.496676  -0.5950705     5.276559  24.63123       75.91957 
1 1 1 3   21  16 o 154.9911 53.48928 4.614858       7.167991  10.47417       5.603413  -36.92247      83.52888 
1 1 1 3   21  17 o 108.7662 45.33714 2.743615       5.262853  3.873249       4.911192  -4.879341      70.84707 
1 1 1 3   21  18 o 87.03302 40.30819 -4.709030      5.155921  5.029152       5.163807  -35.47314      65.42879 
1 1 1 3   21  19 o 125.6520 48.47985 11.09414       5.623784  1.903808       5.112495  48.01245       74.97500 
1 1 1 3   21  20 o 101.5236 44.40363 2.850226       4.829103  4.840597       5.975931  -7.838249      67.71321 
1 1 1 3   21  21 o 109.1293 44.73973 6.252165       4.636062  4.065112       5.060822  10.94684       66.62392 
1 1 1 3   21  22 o 75.11079 35.99997 -0.1975330E-01 4.575261  0.5087514      5.083407  -2.711296      55.76184 
1 1 1 3   21  23 o 68.31462 33.46354 -6.136204      4.715633  3.994471       4.856876  -23.59837      53.91851 
1 1 1 3   21  24 o 68.20086 33.57674 2.825635       5.198301  -3.354344      4.847622  12.45650       51.96094 
1 1 1 3   21  25 o 74.84927 36.05497 -0.7042812     5.190747  5.066993       4.765441  -11.89800      52.95203 
1 1 1 3   22  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   22  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   22  2  o 107.7022 52.11964 -8.086260      9.454535  0.4897640      12.51945  -27.69268      87.11477 
1 1 1 3   22  3  o 156.7569 63.85273 16.90528       10.21972  0.4738561      9.374098  62.53181       100.0233 
1 1 1 3   22  4  o 109.1593 50.90561 -3.330851      8.535767  0.6797218E-01  8.371537  -8.847557      83.24150 
1 1 1 3   22  5  o 112.8772 51.53027 2.421288       7.875605  -3.127565      8.175139  16.50243       83.83836 
1 1 1 3   22  6  o 134.5630 56.79948 5.578451       8.306424  2.402426       7.956681  13.96222       90.39549 
1 1 1 3   22  7  o 124.2674 54.19176 3.048350       8.341721  1.643875       7.455786  8.999283       87.05025 
1 1 1 3   22  8  o 117.4698 50.79876 2.700322       8.309156  1.583874       5.881598  15.97685       83.10288 
1 1 1 3   22  9  o 146.3976 56.39880 4.407492       8.800684  7.026353       6.284192  -8.191589      89.67110 
1 1 1 3   22  10 o 101.1397 45.77488 3.650746       8.593771  -1.463147      5.055118  38.57682       79.19935 
1 1 1 3   22  11 o 121.6809 51.11047 2.613617       8.534554  3.453740       5.488572  7.233147       82.55205 
1 1 1 3   22  12 o 91.70687 43.28011 -8.167480      7.694752  0.9225912      5.636628  -13.22661      71.31818 
1 1 1 3   22  13 o 102.4170 48.17673 0.000000       0.000000  -1.180121      5.551935  ?              ?        
1 1 1 3   22  14 o 109.4563 52.88857 12.52225       11.37787  -13.60917      10.44942  49.10187       86.64572 
1 1 1 3   22  15 o 88.65710 42.45188 -0.5336803     8.070165  -2.628366      5.789170  14.98100       69.66447 
1 1 1 3   22  16 o 113.8554 49.18528 1.781319       7.564389  5.617345       5.581793  -11.73182      75.02677 
1 1 1 3   22  17 o 79.53838 38.31179 -5.168469      5.952463  0.2325879      5.309931  -11.00918      62.36097 
1 1 1 3   22  18 o 105.3795 45.51550 3.375701       5.682439  4.013295       5.221474  -2.245667      69.52185 
1 1 1 3   22  19 o 91.03600 41.50325 3.396714       5.134383  0.7231565      5.228324  8.905632       63.76788 
1 1 1 3   22  20 o 83.08434 39.01756 -2.269415      4.983154  5.138360       5.252537  -22.30605      60.78403 
1 1 1 3   22  21 o 76.58331 36.93797 1.917134       5.018069  -1.486142      5.519683  6.704536       56.67901 
1 1 1 3   22  22 o 71.45542 34.71931 0.8119839      4.672688  -1.678991      5.074312  4.599701       53.77856 
1 1 1 3   22  23 o 64.00676 31.78944 -3.146900      4.712549  0.1620656      5.028868  -6.721947      49.60148 
1 1 1 3   22  24 o 75.42445 36.64795 4.106583       5.285609  1.080453       5.557215  5.421181       53.25195 
1 1 1 3   23  0  o 138.5676 61.55656 7.569205       10.08610  5.463022       11.17509  4.867493       93.18130 
1 1 1 3   23  1  o 126.2565 58.90278 -3.035257      9.948277  13.10127       13.53201  -37.65778      93.91302 
1 1 1 3   23  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   23  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   23  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   23  5  o 125.0456 55.44829 7.294534       8.883831  0.2796372      8.255832  23.57775       87.06022 
1 1 1 3   23  6  o 110.9783 51.29128 -2.996673      8.270411  4.322117       8.311442  -20.57285      81.79300 
1 1 1 3   23  7  o 102.4333 48.58398 -2.853897      8.946907  -0.7237616     7.769633  -0.3653488     78.35213 
1 1 1 3   23  8  o 135.4885 55.12064 6.378876       8.599903  5.614734       6.411620  4.533997       86.14693 
1 1 1 3   23  9  o 91.54591 43.91295 -3.880282      10.41800  -2.700374      5.823128  18.66377       74.18890 
1 1 1 3   23  10 o 88.44242 42.09151 -0.6111341     9.083649  -2.733998      5.147463  25.07545       71.98732 
1 1 1 3   23  11 o 170.1269 56.76812 5.729831       8.839767  13.03101       6.007155  -47.36607      87.31271 
1 1 1 3   23  12 o 92.90744 43.77189 7.399025       8.150273  -4.613924      5.599383  44.43576       74.55954 
1 1 1 3   23  13 o 114.6213 51.30654 12.08205       12.32767  1.954776       5.877308  27.15975       82.78440 
1 1 1 3   23  14 o 109.0502 52.93274 6.219002       11.42203  -3.973043      11.03514  15.28016       81.01271 
1 1 1 3   23  15 o 127.0670 52.23644 2.443039       7.505771  9.007555       5.978822  -26.86377      78.34668 
1 1 1 3   23  16 f 112.7647 49.49396 -0.4467458     8.048680  7.520851       5.795768  -23.63979      74.05937 
1 1 1 3   23  17 o 105.5814 46.89666 0.5264776      6.894029  6.791955       5.594970  -19.53692      70.16008 
1 1 1 3   23  18 o 87.48335 40.67474 1.944899       5.282407  1.333634       5.384346  1.632187       62.35269 
1 1 1 3   23  19 o 81.29518 39.91811 1.404945       5.610358  -4.958513      10.10602  1.775955       60.81705 
1 1 1 3   23  20 o 86.47259 40.37634 6.923701       5.580600  -0.4701510     5.135953  19.73045       60.69822 
1 1 1 3   23  21 o 79.18419 38.31826 -0.6562765     5.255498  4.890102       6.462986  -11.61640      57.80926 
1 1 1 3   23  22 o 65.71786 32.61534 -1.927342      4.786397  0.6188247E-01  5.441773  -4.716705      50.22459 
1 1 1 3   23  23 o 72.82782 35.62738 3.208561       5.345584  0.7018873      5.394875  4.275536       52.22468 
1 1 1 3   23  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   24  0  o 114.0680 53.71765 -1.406397      9.657024  4.931888       9.971315  -13.82681      83.32188 
1 1 1 3   24  1  o 105.1001 50.14962 10.39976       9.318827  -9.952229      8.917862  44.67771       81.14198 
1 1 1 3   24  2  o 140.9007 59.40762 4.838787       9.036448  11.36673       8.718347  -21.20825      89.14075 
1 1 1 3   24  3  o 103.0317 48.99714 3.043101       8.482673  -4.524548      8.616491  16.61296       77.89169 
1 1 1 3   24  4  o 143.8329 59.81610 8.743530       8.888023  7.999312       8.733656  2.351517       90.10783 
1 1 1 3   24  5  o 112.9846 52.41302 5.729796       8.741942  -2.196435      8.814980  19.60068       81.93135 
1 1 1 3   24  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   24  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   24  8  o 101.9507 49.73336 0.000000       0.000000  -3.324647      7.248580  ?              ?        
1 1 1 3   24  9  o 119.9355 52.80352 22.75926       11.95996  -0.4899281     6.039617  67.62896       90.90704 
1 1 1 3   24  10 o 134.1121 56.16261 9.365808       12.97818  6.517047       6.137478  3.176025       86.58257 
1 1 1 3   24  11 o 84.90141 41.78313 -6.266639      11.66079  -4.646017      6.198236  17.46866       70.18555 
1 1 1 3   24  12 o 101.3797 46.42763 -1.251221      8.374396  3.154252       5.594811  -5.183960      72.30142 
1 1 1 3   24  13 o 92.47296 44.55682 0.8268140E-01  12.28303  -1.135395      5.970936  15.58755       72.00064 
1 1 1 3   24  14 o 110.5063 51.13546 0.1427121      11.32646  6.472240       6.836800  -10.68380      75.75259 
1 1 1 3   24  15 o 102.3934 46.85276 1.279702       7.617767  5.227536       6.022886  -9.511215      70.19054 
1 1 1 3   24  16 o 74.17836 36.93597 0.1756710      7.575352  -7.230100      6.126234  16.47887       60.18063 
1 1 1 3   24  17 o 83.53099 40.41179 5.573313       7.082623  -2.768824      5.889084  18.35255       62.65357 
1 1 1 3   24  18 o 80.31007 38.59594 2.352880       5.800374  -0.4830001E-01 5.441989  5.842552       58.62806 
1 1 1 3   24  19 o 78.44222 37.80535 -0.6795917     5.575012  2.528914       5.380360  -6.711571      57.33830 
1 1 1 3   24  20 o 75.54303 37.90631 0.000000       0.000000  -0.9236936E-01 5.471672  ?              ?        
1 1 1 3   24  21 o 95.73947 43.86793 12.62689       5.811446  2.163877       5.959489  23.74438       61.01107 
1 1 1 3   24  22 f 75.00788 36.42324 4.793700       5.193674  0.8861029      5.473994  7.030518       52.65388 
1 1 1 3   24  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   25  0  o 99.16962 47.86488 1.457506       9.060793  -2.642867      8.660839  8.531204       74.86512 
1 1 1 3   25  1  o 90.71699 44.59729 -1.943725      9.025091  -5.114778      8.482183  6.771301       71.11903 
1 1 1 3   25  2  o 99.23219 47.83667 4.134076       9.002266  -5.480795      8.571114  19.64837       75.68698 
1 1 1 3   25  3  o 113.0484 52.79195 -0.1533642     9.211411  6.656584       9.072758  -14.57847      80.33954 
1 1 1 3   25  4  o 129.1458 57.17831 5.757221       9.178714  9.615852       8.946249  -10.07287      84.18119 
1 1 1 3   25  5  o 102.0392 48.60638 3.472800       9.578857  -0.6455479     7.696063  11.57133       75.50523 
1 1 1 3   25  6  o 105.1039 48.96532 -4.321921      8.715560  6.594988       7.106722  -23.17672      75.24464 
1 1 1 3   25  7  o 85.78774 41.93081 -0.6159001     8.675976  -4.707726      6.546907  15.40693       68.38234 
1 1 1 3   25  8  o 96.79071 46.05366 6.665268       10.70307  -1.759525      6.184353  24.99291       74.49930 
1 1 1 3   25  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   25  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   25  11 o 103.7294 51.32135 -12.03038      12.75431  13.33508       11.75884  -25.91607      77.53696 
1 1 1 3   25  12 o 102.5537 49.36559 0.2234628      8.212572  8.558718       10.87455  -13.76665      74.11727 
1 1 1 3   25  13 o 89.63294 44.68429 0.000000       0.000000  -1.896482      7.058564  ?              ?        
1 1 1 3   25  14 o 85.03870 42.79566 0.000000       0.000000  -3.516903      7.239189  ?              ?        
1 1 1 3   25  15 o 87.68710 43.23882 -4.410051      10.32786  3.997832       7.294472  -7.653297      64.41306 
1 1 1 3   25  16 o 87.39479 42.66727 1.923845       10.42858  2.564725       6.258264  0.7330551      63.06897 
1 1 1 3   25  17 o 79.79207 39.16170 0.1840694      6.834424  0.6493098      6.483384  -0.3081055     59.11472 
1 1 1 3   25  18 o 72.42996 35.76183 -1.672752      5.905631  0.2178963      5.754898  -2.881897      54.76639 
1 1 1 3   25  19 o 74.78894 36.59069 1.930149       5.661605  1.281497       5.676257  1.098846       54.06881 
1 1 1 3   25  20 o 76.05968 37.06558 -1.331422      5.647942  6.609608       5.658628  -13.64082      54.38056 
1 1 1 3   25  21 o 65.89732 32.98567 -1.962187      5.728726  1.885361       5.654036  -4.813805      49.20028 
1 1 1 3   26  1  o 91.46368 45.01446 -6.345952      8.860304  1.934667       9.118338  -13.00610      70.64112 
1 1 1 3   26  2  o 100.8784 48.64327 5.494534       9.361007  -2.510732      8.844707  14.41084       74.44485 
1 1 1 3   26  3  o 99.18452 47.87666 3.081621       9.000643  -0.7658668     8.732557  6.974449       73.00838 
1 1 1 3   26  4  o 97.34385 47.36776 -2.850746      9.848309  3.207534       8.563103  -7.582298      72.11172 
1 1 1 3   26  5  o 113.6995 52.56477 1.216889       9.917114  8.437059       7.868623  -15.08074      77.34046 
1 1 1 3   26  6  o 90.53853 43.80486 5.501522       9.247275  -3.871903      6.509176  23.77744       70.38119 
1 1 1 3   26  7  o 97.35486 46.50311 -1.781736      9.645886  3.024067       6.824315  -4.676765      70.93095 
1 1 1 3   26  8  o 94.65071 45.89641 9.851231       12.49075  -1.953733      6.733122  21.72044       72.34400 
1 1 1 3   26  9  o 93.52750 45.24547 -1.972498      13.86973  1.731377       6.218448  3.407463       69.24728 
1 1 1 3   26  10 f 82.03036 40.85833 0.8538220      11.88600  -4.806377      6.716532  15.52899       65.25364 
1 1 1 3   26  11 o 80.70309 39.96895 2.664034       10.14377  -4.276132      6.203190  16.71291       63.78130 
1 1 1 3   26  12 o 95.72393 44.84547 4.304587       8.584188  3.211443       5.662793  2.633675       66.74113 
1 1 1 3   26  13 f 79.11674 39.28420 -8.710711      11.97623  -0.4621189     5.825403  1.981499       61.00741 
1 1 1 3   26  14 o 78.61944 40.17042 -13.68398      12.20651  -3.483550      11.21199  -4.827263      61.54304 
1 1 1 3   26  15 o 93.61418 46.92434 3.840814       11.93135  10.16629       11.49283  -4.776817      66.08910 
1 1 1 3   26  16 o 87.70369 44.28200 12.11665       11.61326  1.867353       11.33841  6.371025       62.28070 
1 1 1 3   26  17 o 63.27682 32.27044 -5.622077      7.073721  -7.729609      7.418109  1.070641       50.48538 
1 1 1 3   26  18 o 75.91046 37.59943 4.851476       6.643719  -0.4855118     6.615792  6.934067       54.90375 
1 1 1 3   26  19 o 72.07668 36.11663 2.189826       7.026995  1.493993       6.793349  0.7660294      52.40565 
1 1 1 3   26  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   27  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   27  4  o 104.3651 49.90922 3.369425       10.27469  5.973376       8.300298  -4.255615      72.80103 
1 1 1 3   27  5  o 93.45470 45.17027 5.462997       9.283100  -0.6750656     7.069430  12.34183       68.77773 
1 1 1 3   27  6  o 96.60621 46.39666 -1.355580      9.794779  4.958080       7.033814  -8.480026      69.00125 
1 1 1 3   27  7  o 97.61955 46.97197 -11.03791      11.67067  8.675769       6.869172  -23.94984      69.27672 
1 1 1 3   27  8  o 85.03179 42.04574 0.7778037      14.33251  -0.8422539     6.305934  9.055084       64.86325 
1 1 1 3   27  9  o 74.17877 37.43792 -20.10615      13.78547  -2.779092      6.346233  1.618294       59.10558 
1 1 1 3   27  10 o 79.00511 39.53646 4.023303       10.83567  -4.797244      6.806254  14.17825       61.62082 
1 1 1 3   27  11 o 86.23246 42.45229 4.135149       10.24137  1.070444       6.800590  4.939156       62.90168 
1 1 1 3   27  12 o 72.47945 36.14459 -3.512369      7.686454  -1.507852      5.809020  1.206039       55.99418 
1 1 1 3   27  13 o 78.67508 39.17130 -3.194648      12.49403  1.160104       5.923247  0.8522797      58.53504 
1 1 1 3   27  14 o 70.75123 35.52682 -2.420098      7.831853  -2.257591      6.173722  2.542496       54.49163 
1 1 1 3   27  15 o 64.71768 32.91055 -4.306557      8.199246  -6.647995      6.380614  5.751686       51.61235 
1 1 1 3   27  16 o 70.30180 35.41779 0.8943641      8.121961  -2.161003      6.409505  4.593124       53.15213 
1 1 1 3   27  17 o 62.43679 31.77336 -10.42610      7.145529  0.8489711      6.373743  -8.656918      49.01301 
1 1 1 3   27  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   28  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 3   28  8  o 83.76593 43.35057 -12.56723      14.57889  0.000000       0.000000  ?              ?        
1 1 1 3   28  9  o 78.52135 39.57639 -11.83319      12.41523  1.366824       7.344158  -4.749519      59.66109 
1 1 1 3   28  10 o 88.32776 43.52511 -14.70048      10.74687  12.92488       7.236728  -29.47328      63.93929 
1 1 1 3   28  11 o 88.39256 43.40636 6.408329       10.63330  4.596351       6.925794  0.5337524E-01  61.74213 
1 1 1 3   28  12 o 73.58572 37.61084 0.000000       0.000000  -4.078079      7.292086  ?              ?        
1 1 1 3   28  13 o 74.95997 37.55166 0.4004347      13.09311  0.7226220      5.748760  2.738243       55.62190 
1 1 1 3   28  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -25 0  o 103.1599 46.19242 2.162021       6.172093  6.019460       6.005918  -12.11787      69.19479 
1 1 1 4   -25 1  o 83.69163 41.46957 -4.202388      6.261117  3.358852       14.11298  -20.13769      67.40924 
1 1 1 4   -24 0  o 83.40379 39.90935 -3.180597      5.881639  1.191204       5.834243  -11.28931      63.72757 
1 1 1 4   -24 1  o 85.89754 40.82781 -1.660223      5.910610  0.9931133      5.930311  -7.189690      64.57346 
1 1 1 4   -24 2  o 118.6211 50.82673 9.975099       6.348276  0.6709269      7.064650  33.08553       76.17327 
1 1 1 4   -24 3  o 165.0715 58.28973 13.31128       6.947839  12.38467       8.050529  11.84027       87.02342 
1 1 1 4   -24 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -23 0  o 78.57340 37.88883 -3.713496      5.355176  -1.070624      5.694265  -9.223495      62.25082 
1 1 1 4   -23 1  o 86.02489 40.61364 -2.716857      5.564641  1.148023       5.786541  -12.92419      65.62668 
1 1 1 4   -23 2  o 84.00231 40.66794 3.685642       6.328403  -10.25116      6.716365  32.24110       67.48947 
1 1 1 4   -23 3  o 86.74062 41.99859 -1.768456      6.380060  -3.202049      7.712223  -2.156563      67.58048 
1 1 1 4   -23 4  o 98.46183 46.15490 -1.194608      6.294568  4.416686       8.317689  -19.23352      73.31959 
1 1 1 4   -23 5  o 99.25665 46.40886 1.626618       6.154634  0.3401667E-01  8.680576  -2.234367      72.56606 
1 1 1 4   -23 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -22 0  o 93.99455 42.93551 -1.172665      5.573915  1.569128       5.584784  -10.41345      69.23872 
1 1 1 4   -22 1  o 93.64460 42.90223 0.6160583      5.525527  -0.3618841     5.730686  2.533173       69.04171 
1 1 1 4   -22 2  o 95.55152 44.08983 2.203205       5.713423  -2.539509      6.553002  11.80837       70.51727 
1 1 1 4   -22 3  o 105.2656 47.60346 4.468413       6.244641  -1.526551      7.141290  17.01934       74.58711 
1 1 1 4   -22 4  o 95.47369 44.91209 3.473205       6.004998  -8.245605      8.108285  21.73071       71.79411 
1 1 1 4   -22 5  o 104.5446 47.86673 1.896214       6.217546  0.9804355      8.141765  -2.725319      75.28530 
1 1 1 4   -22 6  o 110.9136 49.62281 9.038175       6.402956  -5.926795      7.828380  44.70260       76.79391 
1 1 1 4   -22 7  o 104.7956 47.46193 1.179930       5.696701  3.965128       8.283545  -14.59898      75.27518 
1 1 1 4   -21 0  o 113.0838 47.06675 7.390717       5.300358  -2.380002      5.637084  49.28717       74.45921 
1 1 1 4   -21 1  o 105.7173 50.50407 -2.136385      8.697007  -3.437817      10.04634  -2.554970      81.92323 
1 1 1 4   -21 2  o 139.3896 60.73934 10.72235       9.317753  -0.1640330     10.50879  30.85345       93.24354 
1 1 1 4   -21 3  o 117.7083 55.70732 6.321011       10.39728  -6.896304      11.23974  24.58791       87.84428 
1 1 1 4   -21 4  o 114.5660 53.69221 0.4505453      11.37669  0.9399196      8.455242  6.099709       84.73190 
1 1 1 4   -21 5  o 110.5726 48.97463 1.938048       5.783798  3.167108       8.087998  -11.01263      77.97861 
1 1 1 4   -21 6  o 108.7320 48.86424 3.488809       5.949989  -1.666557      8.449741  7.917343       77.11176 
1 1 1 4   -21 7  o 99.05408 45.52518 1.108962       5.465625  -0.9425761     8.083029  -4.335724      73.17531 
1 1 1 4   -21 8  o 104.4250 48.04650 3.298150       6.569440  -2.233920      7.943330  11.61096       75.71441 
1 1 1 4   -21 9  o 111.5851 50.76952 2.524129       5.447020  0.000000       0.000000  ?              ?        
1 1 1 4   -20 0  o 88.38843 42.59068 -4.967347      4.907927  0.000000       0.000000  ?              ?        
1 1 1 4   -20 1  o 122.7917 51.19608 5.121327       6.423073  1.078157       6.533342  18.83469       81.80796 
1 1 1 4   -20 2  f 132.2157 54.21402 0.6201710      6.385954  10.84363       8.124952  -51.13365      87.86333 
1 1 1 4   -20 3  o 126.5227 54.74763 2.097240       7.262283  4.851609       8.729581  -14.76266      87.30777 
1 1 1 4   -20 4  o 142.0581 57.99089 6.043016       6.912642  5.264407       10.14702  -2.017075      91.70515 
1 1 1 4   -20 5  o 135.3719 57.25925 4.218434       6.454389  8.969912       13.96794  -22.70363      93.97863 
1 1 1 4   -20 6  o 141.3942 63.95789 1.796698       10.81541  13.16807       13.71344  -26.92171      98.73869 
1 1 1 4   -20 7  o 126.0128 59.83662 -11.34459      13.14850  13.53281       12.21414  -41.72441      93.50949 
1 1 1 4   -20 8  o 113.5861 53.41915 0.000000       0.000000  0.8434101E-01  6.819471  ?              ?        
1 1 1 4   -20 9  o 115.1997 49.53753 2.883202       5.234621  4.399318       8.926752  -13.66125      79.60690 
1 1 1 4   -20 10 o 134.9422 61.05790 6.484977       7.746459  0.000000       0.000000  ?              ?        
1 1 1 4   -19 0  o 129.9380 47.20779 1.337429       4.824072  6.854645       5.013939  -41.55283      76.45789 
1 1 1 4   -19 1  o 115.1710 46.92259 -0.9931506     4.966409  6.431906       5.654149  -49.57029      76.84179 
1 1 1 4   -19 2  o 200.7464 48.80865 9.324100       5.604366  12.87241       6.539945  -26.10246      88.59481 
1 1 1 4   -19 3  f 187.8598 51.83930 13.07662       5.720853  5.189500       6.926385  60.86078       86.31263 
1 1 1 4   -19 4  o 169.3740 53.82336 9.737725       5.764534  6.444076       7.178247  23.33981       88.31290 
1 1 1 4   -19 5  o 106.1101 47.32693 -0.6281587     5.442222  2.728441       7.844502  -27.02573      79.18716 
1 1 1 4   -19 6  o 161.3645 58.53346 6.699279       6.193401  11.92811       10.55413  -24.14977      96.98650 
1 1 1 4   -19 7  o 115.3700 51.26865 1.633532       6.164189  1.327201       9.672101  -13.02261      83.62312 
1 1 1 4   -19 8  o 163.4242 69.63168 0.000000       0.000000  10.87053       8.773232  ?              ?        
1 1 1 4   -19 9  o 77.79282 38.53234 -5.155371      5.740846  -15.45289      9.578053  -6.273262      66.63531 
1 1 1 4   -19 10 o 136.2893 60.44673 6.368966       10.20966  4.757691       10.12948  4.461899       92.62437 
1 1 1 4   -19 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -19 12 o 109.6953 51.84175 -0.9601544E-01 6.566264  0.000000       0.000000  ?              ?        
1 1 1 4   -18 0  o 192.6133 43.02266 9.891634       4.994965  8.450494       5.026246  14.09154       79.61602 
1 1 1 4   -18 1  o 205.8324 41.57442 5.711492       4.976181  15.73569       5.288735  -93.94330      75.54819 
1 1 1 4   -18 2  o 263.0567 51.22696 17.81636       5.698195  0.000000       0.000000  ?              ?        
1 1 1 4   -18 3  o 194.8648 50.60424 15.71002       5.777006  2.421574       6.657527  102.2963       81.86317 
1 1 1 4   -18 4  o 108.1365 46.99792 0.7208134      5.135549  0.3419608      7.051556  -12.75135      78.33689 
1 1 1 4   -18 5  o 185.0445 52.39548 6.837116       5.430644  14.63218       7.733923  -54.44141      92.04527 
1 1 1 4   -18 6  o 117.7206 48.86888 4.437023       4.874218  -2.768957      7.894340  15.50387       78.62041 
1 1 1 4   -18 7  o 122.8359 49.31075 2.254534       4.709967  6.129792       7.954888  -33.72690      83.30350 
1 1 1 4   -18 8  o 179.5350 52.11772 7.235293       5.727878  12.19315       6.668484  -34.58745      88.85482 
1 1 1 4   -18 9  o 96.10725 45.29992 0.6336070      5.822562  -10.64952      9.421988  7.467026       74.98431 
1 1 1 4   -18 10 o 144.4804 60.26155 6.571825       6.349500  0.000000       0.000000  ?              ?        
1 1 1 4   -18 11 o 104.3052 49.06101 -1.598646      5.755575  0.000000       0.000000  ?              ?        
1 1 1 4   -18 12 o 105.4843 47.90705 3.964485       6.074481  -4.697346      7.933047  19.94901       76.30832 
1 1 1 4   -18 13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -17 0  o 476.0545 22.77125 54.56607       6.788269  47.03877       6.624723  36.11481       46.23528 
1 1 1 4   -17 1  o 86.07461 39.26487 2.511182       4.778320  -5.561260      4.523861  44.78934       67.64679 
1 1 1 4   -17 2  o 94.88985 41.81011 -1.195878      4.690642  0.2468993      4.893827  -10.16042      70.20813 
1 1 1 4   -17 3  o 366.1405 31.08935 36.44945       6.705308  24.17407       7.324544  84.78033       68.74555 
1 1 1 4   -17 4  o 241.9259 43.35236 14.40977       5.657846  14.20940       7.127655  8.960388       87.19006 
1 1 1 4   -17 5  o 92.67670 43.21877 -2.518264      5.361728  -3.768406      7.235872  -12.94267      74.43345 
1 1 1 4   -17 6  o 244.0028 42.68427 15.09564       5.322146  14.30325       7.832791  22.26805       88.30896 
1 1 1 4   -17 7  o 329.8532 32.45510 26.02435       5.682959  25.58161       8.010416  25.40140       75.29725 
1 1 1 4   -17 8  o 167.8692 51.26379 7.623544       5.255615  8.316442       6.641432  -4.233307      86.65781 
1 1 1 4   -17 9  o 98.52505 44.87496 -2.861572      4.802376  6.270712       9.328944  -63.31631      82.95000 
1 1 1 4   -17 10 o 105.1816 46.91183 -2.004501      4.975253  8.685535       9.359800  -64.54157      84.74465 
1 1 1 4   -17 11 o 181.6307 56.86971 11.51928       6.390028  8.619054       8.177800  22.91962       93.11944 
1 1 1 4   -17 12 o 138.8428 54.19838 6.834249       5.921391  3.281793       8.052775  13.39636       85.48066 
1 1 1 4   -17 13 o 91.13573 43.34664 -1.312639      5.722840  -5.696817      8.429269  -4.301834      72.08238 
1 1 1 4   -17 14 o 95.83453 45.26189 -3.558197      5.993936  1.861094       9.008348  -29.58497      76.67566 
1 1 1 4   -16 0  f 397.2667 23.80558 31.25231       5.804140  39.50232       5.875646  -48.08301      48.71260 
1 1 1 4   -16 1  o 225.9512 37.02938 10.58704       5.039599  13.19000       4.981893  -25.87622      74.23482 
1 1 1 4   -16 2  o 261.3277 32.02320 17.79072       5.180186  13.61702       4.990746  36.99339       66.69083 
1 1 1 4   -16 3  o 473.5303 24.94237 42.16193       6.805873  61.23759       7.922109  -89.25961      50.70355 
1 1 1 4   -16 4  o 306.8062 35.24592 22.87107       6.002445  20.16195       7.382046  28.46249       76.69772 
1 1 1 4   -16 5  o 132.3882 50.37762 4.555976       5.102973  1.432812       6.644585  8.844238       82.58216 
1 1 1 4   -16 6  o 142.3531 51.02587 1.690934       4.899444  10.80643       7.167134  -74.89944      86.17643 
1 1 1 4   -16 7  o 114.3963 47.74036 1.166341       4.985863  2.036626       6.645966  -17.78581      79.55994 
1 1 1 4   -16 8  o 193.0238 52.64088 8.261840       5.178061  15.87319       9.807333  -46.65781      98.33587 
1 1 1 4   -16 9  o 136.8768 52.95986 4.722819       5.095968  3.052226       9.825753  -11.08746      88.78064 
1 1 1 4   -16 10 o 174.0753 54.08978 11.90920       5.211838  -2.413569      9.453895  71.08371       84.15015 
1 1 1 4   -16 11 o 132.9432 49.48083 8.858027       5.136541  -1.191894      5.840490  61.12025       77.26987 
1 1 1 4   -16 12 o 109.7924 48.83037 1.280707       5.782454  -0.1880681     8.198819  -7.471481      79.90252 
1 1 1 4   -16 13 o 145.9865 55.09334 9.840642       5.895400  -0.5124581     8.352522  46.36411       84.97060 
1 1 1 4   -16 14 o 87.53172 42.08418 1.062101       5.620845  -16.01557      8.754683  19.92581       70.05731 
1 1 1 4   -16 15 o 100.1464 46.57414 0.8358756      5.953184  -4.786589      8.902990  1.026306       75.92726 
1 1 1 4   -15 0  o 286.3841 25.76830 23.47384       4.686989  14.11659       4.385687  75.89149       54.35521 
1 1 1 4   -15 1  o 358.6807 22.97113 29.87935       5.200892  27.76769       4.974923  13.02036       46.70508 
1 1 1 4   -15 2  o 356.3855 23.41702 24.56663       5.038562  32.62790       5.265314  -51.93549      47.94823 
1 1 1 4   -15 3  o 347.9675 27.30758 24.73286       5.667975  30.09984       6.044553  -34.86551      55.99126 
1 1 1 4   -15 4  o 147.9452 50.58126 5.592694       5.077705  3.700253       6.265744  6.568588       84.00587 
1 1 1 4   -15 5  o 470.9740 24.50093 44.81260       6.353445  57.77384       8.295905  -57.64407      50.20461 
1 1 1 4   -15 6  o 182.7323 49.43798 9.598570       4.908774  5.159594       7.211093  29.30371       85.98415 
1 1 1 4   -15 7  o 316.4238 51.41531 0.000000       0.000000  24.64219       6.891386  ?              ?        
1 1 1 4   -15 8  o 479.0467 28.11814 47.82055       6.751750  66.58976       11.98365  -61.99661      63.71308 
1 1 1 4   -15 9  o 112.5937 49.89456 -1.505021      5.732830  3.103361       9.361843  -44.63483      87.24765 
1 1 1 4   -15 10 o 115.3441 49.99888 0.8893071      4.673055  0.000000       0.000000  ?              ?        
1 1 1 4   -15 11 o 91.28673 41.87397 0.4476988      4.886086  -4.465428      6.066026  9.511490       69.98328 
1 1 1 4   -15 12 o 117.6695 50.40117 1.135538       5.605498  3.104849       8.270663  -23.26821      83.81175 
1 1 1 4   -15 13 o 96.28971 45.16583 1.144575       5.988008  -9.136382      8.121963  16.25072       74.90403 
1 1 1 4   -15 14 o 99.47385 45.78620 -4.369498      5.408422  8.199069       8.770835  -63.49014      81.86749 
1 1 1 4   -15 15 o 129.1734 53.38369 8.735996       5.902182  -5.961785      8.898172  48.15485       82.02488 
1 1 1 4   -15 16 o 91.38197 43.22422 -2.714297      5.748586  -1.889615      7.592893  -13.99950      72.37077 
1 1 1 4   -14 0  o 337.2834 22.63686 33.48407       5.272849  19.96480       4.293972  89.03494       46.09083 
1 1 1 4   -14 1  o 205.0484 32.82307 6.621711       4.092127  12.56189       3.978650  -64.27353      65.24866 
1 1 1 4   -14 2  o 107.7779 41.08675 0.2849324      3.912473  3.450891       3.717824  -24.01461      67.29794 
1 1 1 4   -14 3  o 187.0835 37.52736 8.512558       4.084709  7.901189       4.333234  6.809296       71.45332 
1 1 1 4   -14 4  o 357.9685 24.53744 32.77436       5.336504  24.36063       5.498563  55.55048       51.01029 
1 1 1 4   -14 5  o 307.9206 31.35873 16.43422       5.177320  30.96444       7.066676  -100.8009      64.86478 
1 1 1 4   -14 6  o 355.9493 27.61856 26.86138       5.420732  31.11213       6.967494  -23.04990      57.51749 
1 1 1 4   -14 7  o 386.3028 29.11198 40.45413       6.506412  24.83846       7.435936  100.9356       65.50714 
1 1 1 4   -14 8  o 514.5800 28.09575 63.44118       7.543509  51.24957       11.56034  72.99783       67.86839 
1 1 1 4   -14 9  o 237.4767 80.76836 0.000000       0.000000  16.08184       10.05653  ?              ?        
1 1 1 4   -14 10 o 121.6960 48.35740 1.219422       4.553854  5.768908       7.260736  -46.12016      83.05671 
1 1 1 4   -14 11 o 95.59711 42.58296 -1.146971      4.544736  0.3504709      5.933152  -20.76672      72.29961 
1 1 1 4   -14 12 o 123.3210 50.85878 4.027785       5.284353  -0.7517603     8.262524  5.332153       82.83289 
1 1 1 4   -14 13 o 147.1582 55.22505 8.012992       5.994044  1.114813       8.130569  29.78058       87.79175 
1 1 1 4   -14 14 o 113.5366 49.52950 1.043244       5.612868  1.893751       8.286160  -17.92745      81.95289 
1 1 1 4   -14 15 o 123.7363 51.85444 1.263876       5.635791  7.937178       8.730247  -39.53835      86.30019 
1 1 1 4   -14 16 o 125.4273 51.78445 -0.3719394E-01 5.825003  10.19137       7.594891  -54.55177      84.72556 
1 1 1 4   -14 17 o 91.57827 43.59039 -2.421352      5.621927  -4.511411      9.267412  -15.92513      73.99744 
1 1 1 4   -13 0  o 264.2373 25.14457 16.60713       4.572347  15.01119       3.706405  11.55286       52.40839 
1 1 1 4   -13 1  o 237.9151 27.28256 11.91332       4.185840  13.43537       3.756343  -16.55702      57.16434 
1 1 1 4   -13 2  o 449.8727 19.00045 49.43243       5.494785  40.77295       5.107296  43.54202       38.27967 
1 1 1 4   -13 3  o 496.3032 36.79983 55.83809       7.954139  0.000000       0.000000  ?              ?        
1 1 1 4   -13 4  o 93.83710 40.10320 -0.4851574     3.974786  0.7533906      4.322398  -12.43723      67.30190 
1 1 1 4   -13 5  o 301.5843 26.63650 21.72882       4.382705  18.25202       5.758051  32.29868       59.19389 
1 1 1 4   -13 6  o 308.7728 27.89062 23.08242       4.819380  19.08178       5.917113  34.82877       60.71812 
1 1 1 4   -13 7  o 186.0005 44.92596 8.862420       4.621287  7.245384       5.839354  12.89023       81.28591 
1 1 1 4   -13 8  o 554.5156 27.56485 79.60260       8.255529  48.40995       11.38587  146.3945       67.37788 
1 1 1 4   -13 9  o 274.7040 46.65606 24.55581       11.09797  15.98444       6.212452  46.10086       100.0552 
1 1 1 4   -13 10 o 102.0047 43.72706 2.305292       4.406507  -3.209180      5.751380  16.23141       72.34566 
1 1 1 4   -13 11 o 148.5960 48.91168 13.18227       4.790481  -6.146241      5.793468  129.8355       68.30540 
1 1 1 4   -13 12 o 166.9707 55.41084 10.20633       5.870614  1.636773       8.010351  47.30588       88.98714 
1 1 1 4   -13 13 o 197.9646 55.28041 16.12223       6.185999  1.290199       8.410824  96.64040       87.21851 
1 1 1 4   -13 14 o 153.8902 54.86193 9.052668       5.710016  0.8201894      8.111625  39.69156       87.01099 
1 1 1 4   -13 15 o 103.7213 47.61847 1.803875       6.060831  -6.965234      8.501834  12.72057       78.25822 
1 1 1 4   -13 16 o 131.0592 53.41224 3.927912       6.130056  4.623485       7.872499  -8.585876      85.58974 
1 1 1 4   -13 17 o 129.9315 53.15377 3.443119       5.461992  7.291907       10.17313  -25.92976      88.26637 
1 1 1 4   -13 18 o 174.2213 60.54467 9.789821       6.555640  12.52000       11.21968  -1.615952      97.97537 
1 1 1 4   -12 0  o 285.4293 23.30673 15.09416       4.381331  20.64206       3.851227  -47.81012      50.16317 
1 1 1 4   -12 1  o 129.9256 41.12761 4.030971       4.191065  3.666149       3.370559  9.490189       69.73943 
1 1 1 4   -12 2  o 351.6993 20.28673 28.63641       4.628175  26.44780       4.214955  13.57098       41.06843 
1 1 1 4   -12 3  o 573.5935 17.21628 77.49555       6.297674  68.25656       5.954397  36.44702       34.58515 
1 1 1 4   -12 4  o 494.8101 18.32290 52.16304       5.376409  56.43317       5.886927  -19.08347      36.90360 
1 1 1 4   -12 5  o 178.3685 36.63877 7.546100       3.541994  7.191619       4.446995  3.434204       69.80964 
1 1 1 4   -12 6  f 315.9306 25.23211 25.72588       4.531668  17.54168       5.386007  64.58081       55.97909 
1 1 1 4   -12 7  o 223.6835 33.98524 12.88754       4.110665  9.301003       5.220751  38.77419       70.68104 
1 1 1 4   -12 8  o 224.1989 43.83474 14.39324       4.706182  2.880381       8.859728  77.97762       84.02499 
1 1 1 4   -12 9  o 239.9514 37.89233 10.20636       4.922024  18.26292       6.204222  -70.64101      75.75375 
1 1 1 4   -12 10 o 121.0047 46.98711 2.474854       4.637159  2.228125       5.596178  -6.893631      77.80898 
1 1 1 4   -12 11 f 218.8839 40.00340 13.47225       4.731534  8.088468       5.933022  53.02423       78.11761 
1 1 1 4   -12 12 o 114.7841 46.49805 6.774851       4.542143  -7.087245      6.083992  65.49833       72.41534 
1 1 1 4   -12 13 o 124.7102 51.02605 2.694198       5.346801  1.563645       7.943541  -11.64792      84.86375 
1 1 1 4   -12 14 o 90.81580 42.77610 -3.190452      5.196598  -3.755671      8.288320  -24.09241      75.12638 
1 1 1 4   -12 15 o 208.6523 56.45284 19.42948       6.530735  -1.382498      9.025704  127.8083       85.63580 
1 1 1 4   -12 16 o 108.2114 47.86330 -4.464933      5.451954  10.95937       7.853689  -84.68884      83.58050 
1 1 1 4   -12 17 f 120.1577 50.55695 3.254625       5.009540  0.6088107      10.59762  -12.56310      84.29800 
1 1 1 4   -12 18 o 306.3001 42.13815 26.00547       6.203363  21.44728       12.00962  103.6008       96.12228 
1 1 1 4   -12 19 o 78.56339 38.09700 -5.281993      4.685311  -2.330839      8.338056  -34.00772      69.07217 
1 1 1 4   -11 0  o 115.6213 46.28955 7.260982       6.422711  -0.4680959     4.279646  69.22665       79.58153 
1 1 1 4   -11 1  o 395.3090 30.41840 35.49783       5.233884  0.000000       0.000000  ?              ?        
1 1 1 4   -11 2  o 148.3908 38.45826 4.396172       4.008018  5.743947       3.248133  -11.99205      67.93533 
1 1 1 4   -11 3  o 137.2495 37.56910 3.967022       3.342037  4.811141       3.242868  -9.182983      65.21682 
1 1 1 4   -11 4  o 116.0697 38.48239 2.177630       3.158665  3.711879       3.306473  -17.33809      64.13534 
1 1 1 4   -11 5  o 451.1574 18.33881 53.13823       5.108102  36.72491       5.135296  84.00485       37.62896 
1 1 1 4   -11 6  o 104.3804 40.02790 0.5567867      3.222149  3.733395       4.251313  -38.46143      67.39441 
1 1 1 4   -11 7  o 941.6678 26.75932 197.3974       11.04164  0.000000       0.000000  ?              ?        
1 1 1 4   -11 8  o 183.4724 39.06060 6.296705       3.936443  10.31899       4.812589  -42.65512      72.86572 
1 1 1 4   -11 9  o 477.7549 21.54962 48.23957       5.887614  54.16409       6.994502  -26.29416      43.80073 
1 1 1 4   -11 10 o 235.6528 38.43537 18.21376       5.173059  6.309869       5.717783  108.4907       74.76841 
1 1 1 4   -11 11 o 144.6006 48.34964 8.691853       4.594601  -1.720195      5.809888  69.52249       75.51805 
1 1 1 4   -11 12 o 308.6745 29.70304 25.61909       5.172894  16.04255       6.200305  80.14662       67.61411 
1 1 1 4   -11 13 o 241.8782 47.98505 24.24719       6.226595  -1.649632      7.989431  179.4889       77.25997 
1 1 1 4   -11 14 o 114.0538 49.42171 1.367560       5.407352  -1.511110      8.500349  -11.03928      83.17171 
1 1 1 4   -11 15 o 117.7020 49.66639 -0.6380942     5.202949  7.740416       8.185792  -59.20372      85.75411 
1 1 1 4   -11 16 o 190.2893 50.47512 8.813061       5.022713  12.44737       8.189564  -19.88835      92.04510 
1 1 1 4   -11 17 o 160.0867 54.54706 7.605942       5.090782  6.311025       10.57659  1.413910       91.97207 
1 1 1 4   -11 18 o 174.8146 55.36332 9.100684       5.304156  9.977086       10.77722  3.043350       94.50480 
1 1 1 4   -11 19 o 126.0205 50.51937 4.230307       4.956990  3.619270       8.241387  -6.652481      81.95086 
1 1 1 4   -11 20 o 112.4010 48.21052 -1.092809      4.961994  11.81212       8.280716  -68.96775      83.60314 
1 1 1 4   -10 0  o 144.0374 44.18772 6.425000       4.530945  3.782917       4.143215  26.35495       74.54401 
1 1 1 4   -10 1  o 159.4640 34.93368 2.926854       3.673815  8.306020       3.114641  -60.54705      62.06052 
1 1 1 4   -10 2  o 94.89285 42.66565 -3.004979      6.597486  -0.4764381     4.493605  10.66793       73.18945 
1 1 1 4   -10 3  o 212.0962 44.24477 15.97661       7.512245  8.855809       4.697350  57.94128       86.43423 
1 1 1 4   -10 4  o 286.4850 30.66311 15.87683       5.407840  21.33859       5.322308  -45.76642      64.59332 
1 1 1 4   -10 5  o 140.4137 50.41734 1.375895       6.054130  5.937695       5.213756  -26.22864      82.45654 
1 1 1 4   -10 6  o 497.6557 20.92597 61.22399       7.675839  51.34947       5.664319  42.06061       43.18463 
1 1 1 4   -10 7  o 129.0282 41.57080 4.219766       3.337664  2.709174       4.469409  5.196350       70.10581 
1 1 1 4   -10 8  o 290.9747 24.60283 20.50179       4.060786  16.63531       4.839247  33.53598       52.76178 
1 1 1 4   -10 9  o 540.5287 19.12305 62.35658       5.961464  67.80155       6.956973  -21.51013      38.74087 
1 1 1 4   -10 10 o 329.9751 24.77362 22.84732       4.674826  26.41269       5.490864  -22.89392      50.71067 
1 1 1 4   -10 11 o 506.7946 24.23983 57.39480       6.261492  56.45504       10.46255  13.53583       56.60345 
1 1 1 4   -10 12 o 404.6636 31.80082 37.04066       5.599286  0.000000       0.000000  ?              ?        
1 1 1 4   -10 13 o 288.7881 40.20129 26.60296       6.246965  7.626580       8.134388  149.1617       83.50492 
1 1 1 4   -10 14 o 143.0361 52.21465 7.848904       5.209484  -2.302799      7.401113  47.50935       82.75003 
1 1 1 4   -10 15 o 312.2693 36.55325 19.58098       6.089504  29.82618       8.311208  -60.36188      78.28002 
1 1 1 4   -10 16 o 198.7094 48.20317 10.00309       4.811825  11.66904       8.260972  -3.131302      90.70074 
1 1 1 4   -10 17 o 150.6456 53.14631 6.881683       4.925936  2.821238       9.487306  8.310303       88.20426 
1 1 1 4   -10 18 o 98.77465 44.14262 0.6290552      4.596931  -1.938590      7.437882  -10.16771      74.01494 
1 1 1 4   -10 19 o 187.4850 50.87857 12.06204       5.200750  6.018651       7.588684  49.68381       85.70853 
1 1 1 4   -10 20 f 94.33406 43.39669 0.2498023      5.021113  -3.220322      7.249232  -2.607658      71.74431 
1 1 1 4   -10 21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -9  0  o 108.6760 35.57227 2.527027       2.852963  2.714684       2.681332  -0.5960617     59.48652 
1 1 1 4   -9  1  o 195.7354 36.95628 12.88408       5.038420  6.835451       3.845049  60.62466       71.27110 
1 1 1 4   -9  2  o 228.5154 32.05907 12.15600       4.483665  12.02423       4.358280  0.7588806      66.17033 
1 1 1 4   -9  3  o 259.5034 28.90649 13.09207       4.540596  17.80096       4.608831  -42.91522      60.80242 
1 1 1 4   -9  4  o 329.3322 24.91285 28.12610       5.209039  21.20675       4.907878  48.02225       51.31578 
1 1 1 4   -9  5  o 383.8720 23.44634 36.93332       5.767483  29.58830       5.367098  43.15414       47.72091 
1 1 1 4   -9  6  o 259.3493 27.33008 15.67963       3.578425  13.76515       5.919515  25.43503       65.68150 
1 1 1 4   -9  7  o 256.8766 34.57423 12.78041       5.011011  18.06771       5.817886  -45.26376      70.96343 
1 1 1 4   -9  8  o 448.2758 27.41770 48.89183       7.440085  40.30821       7.744472  45.12399       56.21375 
1 1 1 4   -9  9  f 425.5718 29.26345 40.07534       7.702641  40.91409       7.654111  -4.696625      59.56532 
1 1 1 4   -9  10 o 264.8282 49.77103 17.86633       8.185939  15.54692       7.599165  17.32201       96.79462 
1 1 1 4   -9  11 o 444.6420 27.43704 44.25567       5.325110  0.000000       0.000000  ?              ?        
1 1 1 4   -9  12 o 169.3909 44.81394 9.267699       4.306690  2.801496       5.456878  53.77158       75.93629 
1 1 1 4   -9  13 o 446.6151 29.60676 56.79985       7.526976  27.98298       8.974929  163.7845       71.93550 
1 1 1 4   -9  14 o 182.4404 49.71032 6.753210       4.835515  11.69704       7.637387  -44.87462      89.92174 
1 1 1 4   -9  15 o 82.41722 38.92519 -2.192424      4.281743  -7.752367      7.281023  -13.07613      69.02372 
1 1 1 4   -9  16 o 171.2148 50.40581 12.90548       4.827217  -4.910616      7.377979  106.5574       74.78831 
1 1 1 4   -9  17 f 380.6196 31.29694 32.60394       5.966329  39.06138       10.43089  1.239014       77.50191 
1 1 1 4   -9  18 o 162.2627 49.81693 6.950362       4.704403  7.664749       6.890958  -5.981750      85.14844 
1 1 1 4   -9  19 o 155.2468 51.34438 5.189093       4.994033  10.24815       7.005825  -34.69548      86.30590 
1 1 1 4   -9  20 o 130.7045 51.00088 4.076287       5.425569  4.903019       6.725729  -8.527054      82.07008 
1 1 1 4   -9  21 o 94.10924 42.69762 -2.695956      4.657550  4.650648       6.672714  -44.06759      73.42065 
1 1 1 4   -8  0  o 89.78996 33.34399 3.445227       2.543840  -0.3826945     2.410362  42.92657       54.00554 
1 1 1 4   -8  1  o 333.8700 15.65946 23.33757       3.189437  26.04445       3.280775  -18.48001      31.56066 
1 1 1 4   -8  2  o 316.1996 17.11085 23.30997       3.710635  21.38815       3.067758  12.59790       34.95472 
1 1 1 4   -8  3  o 359.1860 16.43393 29.17230       4.004534  28.17938       3.378627  5.031219       33.55019 
1 1 1 4   -8  4  o 141.3603 35.59335 4.158775       3.477034  5.144744       2.852343  -9.755402      63.45670 
1 1 1 4   -8  5  o 186.9722 26.70853 8.122002       3.133650  7.921625       2.899570  1.504089       54.81927 
1 1 1 4   -8  6  o 412.4270 16.34339 37.94540       4.060417  37.42772       4.295425  3.387451       33.00279 
1 1 1 4   -8  7  o 389.0973 24.87200 34.34598       5.359823  33.05767       6.856416  11.81308       52.65138 
1 1 1 4   -8  8  o 726.5781 22.62100 110.5663       9.453107  125.8859       11.11344  -45.67688      45.76379 
1 1 1 4   -8  9  o 336.0937 26.00303 28.14302       4.959918  20.96238       5.926482  52.98135       56.53276 
1 1 1 4   -8  10 o 376.5487 40.11059 0.000000       0.000000  32.27954       6.523081  ?              ?        
1 1 1 4   -8  11 o 111.9327 45.92266 1.158886       3.605030  0.000000       0.000000  ?              ?        
1 1 1 4   -8  12 o 291.9614 43.57828 17.47868       7.738535  22.11735       7.566712  -37.09332      89.24221 
1 1 1 4   -8  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -8  14 o 227.7818 73.94800 16.60309       11.72607  9.336681       12.19427  37.10823       122.2833 
1 1 1 4   -8  15 o 302.9572 31.73595 19.47153       4.987424  24.57290       7.510542  -26.89917      69.65701 
1 1 1 4   -8  16 o 330.3962 29.81270 25.26962       5.277810  24.77245       7.285349  15.39505       66.75771 
1 1 1 4   -8  17 o 279.1766 33.69973 16.41073       4.914228  22.78570       7.114106  -36.05296      73.48254 
1 1 1 4   -8  18 o 114.7201 46.41997 1.618751       4.453775  3.485023       6.228514  -23.10528      77.28201 
1 1 1 4   -8  19 o 164.7322 50.47750 10.00623       5.063262  3.470073       6.487391  47.06929       82.16848 
1 1 1 4   -8  20 o 241.1801 42.11360 14.76064       5.721312  16.09185       6.494881  -3.242508      86.36990 
1 1 1 4   -8  21 o 142.8913 48.51862 3.182624       4.541378  10.69975       6.035285  -54.64236      80.42453 
1 1 1 4   -8  22 o 134.1447 48.17146 2.255704       4.435930  11.01548       6.194948  -60.50021      79.69812 
1 1 1 4   -7  0  o 133.2323 29.10255 5.580156       2.261333  2.397263       2.422500  44.30146       52.23841 
1 1 1 4   -7  1  o 409.3112 13.78341 36.31996       3.455741  37.52084       3.534954  -6.635101      27.67021 
1 1 1 4   -7  2  o 533.8630 13.48161 58.56296       4.343108  67.45269       4.589226  -37.79761      27.04444 
1 1 1 4   -7  3  o 211.5672 22.19973 8.741420       3.181610  10.91026       2.635251  -26.19856      47.91613 
1 1 1 4   -7  4  o 249.3472 19.44472 13.21180       3.340683  14.27647       2.721358  -11.78665      41.01865 
1 1 1 4   -7  5  o 112.0140 34.89989 2.071403       2.904232  3.443621       2.509260  -12.79527      58.60522 
1 1 1 4   -7  6  o 395.5563 15.16276 34.62399       3.793107  34.66352       3.638939  -0.5485535     30.56174 
1 1 1 4   -7  7  o 90.10551 35.16250 1.177785       2.597940  1.270811       3.162490  -8.059807      58.46483 
1 1 1 4   -7  8  o 264.3150 21.16954 13.80755       3.033149  18.83909       4.078346  -40.53554      43.61110 
1 1 1 4   -7  9  o 393.8393 17.50729 33.76336       3.977581  34.97967       4.629056  -6.143921      35.57802 
1 1 1 4   -7  10 o 157.1300 51.57421 0.000000       0.000000  5.474109       4.105860  ?              ?        
1 1 1 4   -7  11 o 333.3357 21.74714 27.55967       4.187078  20.82639       4.824855  48.70276       46.14996 
1 1 1 4   -7  12 o 298.8456 29.44447 18.78521       4.627267  22.92793       6.711606  -25.49255      63.33802 
1 1 1 4   -7  13 o 512.5204 24.89711 69.79327       7.429165  43.92545       8.453198  121.6288       54.21384 
1 1 1 4   -7  14 o 240.1032 43.26534 14.19931       5.134906  11.58197       8.455730  24.36835       89.14680 
1 1 1 4   -7  15 o 302.0544 35.29682 22.23851       5.053034  14.93604       10.95503  70.16618       92.32363 
1 1 1 4   -7  16 o 158.2450 65.35068 3.101299       9.579932  4.667801       11.51166  -16.17349      107.2233 
1 1 1 4   -7  17 o 160.8370 65.85994 -1.451643      10.08175  12.37162       10.88567  -60.18321      106.6739 
1 1 1 4   -7  18 f 341.4024 39.63244 29.73412       10.94309  28.07119       6.880508  -29.63385      94.82539 
1 1 1 4   -7  19 o 267.8214 35.67083 18.76579       5.585323  15.92080       5.994236  29.34236       76.37684 
1 1 1 4   -7  20 o 95.44313 42.05649 -2.179506      4.402032  3.872831       5.459571  -40.22258      70.91112 
1 1 1 4   -7  21 o 87.97255 39.89908 -0.6386072     4.276618  -0.6849720     5.312501  -8.795891      66.56644 
1 1 1 4   -7  22 o 165.1338 49.59998 5.332300       5.180959  11.78303       5.856501  -47.55331      82.84874 
1 1 1 4   -7  23 o 130.2569 51.68304 7.106602       5.355170  0.2649227      7.722136  26.78905       80.46038 
1 1 1 4   -6  0  o 902.1390 15.66196 178.3839       8.696103  179.7900       8.834896  -3.465393      31.37755 
1 1 1 4   -6  1  o 201.2508 18.87989 9.946969       2.255844  7.924612       2.410753  24.06877       39.37650 
1 1 1 4   -6  2  o 545.5018 12.87655 67.14475       4.405707  63.76315       4.310349  14.10046       25.83493 
1 1 1 4   -6  3  o 440.7935 18.22794 0.000000       0.000000  42.90709       3.516705  ?              ?        
1 1 1 4   -6  4  o 528.4935 13.49588 63.78082       4.651519  59.62159       4.221336  17.56342       27.12361 
1 1 1 4   -6  5  o 886.3793 23.15724 174.5540       8.995712  0.000000       0.000000  ?              ?        
1 1 1 4   -6  6  o 389.7325 14.84817 33.36060       3.866547  33.72943       3.354080  -3.056610      30.21373 
1 1 1 4   -6  7  o 309.9585 16.36825 22.44715       3.198421  20.27842       3.077149  15.84268       33.06804 
1 1 1 4   -6  8  o 295.5813 17.79672 18.46093       2.986585  20.85065       3.592800  -16.98206      36.34264 
1 1 1 4   -6  9  o 201.8103 26.67409 9.365055       2.896172  9.044476       3.800058  6.815613       56.76336 
1 1 1 4   -6  10 o 665.4729 19.38604 91.44398       10.02733  100.8707       6.843837  -37.24615      42.82745 
1 1 1 4   -6  11 o 120.3846 39.92478 2.568386       3.106603  4.027934       4.020957  -22.47888      67.55740 
1 1 1 4   -6  12 o 743.5852 16.29386 119.2967       7.309427  124.6620       7.740544  -16.06482      32.74016 
1 1 1 4   -6  13 o 751.6425 23.10073 132.8075       10.40407  116.9844       11.15102  49.84521       46.99171 
1 1 1 4   -6  14 o 518.4081 20.28708 54.02899       5.771861  69.18035       7.634719  -63.11884      41.38263 
1 1 1 4   -6  15 o 82.21107 39.07593 -4.118703      4.721419  -5.326302      6.574560  -17.70792      69.79221 
1 1 1 4   -6  16 o 314.1526 32.24954 21.17187       5.315136  25.45136       7.736552  -21.03818      70.40465 
1 1 1 4   -6  17 o 233.3248 41.21510 15.60355       5.014667  8.231559       6.936534  69.09177       81.59010 
1 1 1 4   -6  18 o 298.6458 31.20158 26.16027       4.936676  10.05785       6.962165  142.0203       75.33257 
1 1 1 4   -6  19 o 160.0117 66.44317 12.05989       12.39812  2.523508       9.761644  40.15854       107.1956 
1 1 1 4   -6  20 o 245.7330 57.96927 18.72633       8.891804  16.13527       8.505950  15.37852       106.1817 
1 1 1 4   -6  21 o 128.3595 55.04286 1.704276       7.264260  5.304811       8.586690  -18.67351      88.26453 
1 1 1 4   -6  22 o 90.87346 40.01312 3.114615       3.994207  -3.928724      4.902468  28.34411       64.99139 
1 1 1 4   -6  23 o 114.7097 43.74207 5.572868       4.055329  0.4188155      4.646297  32.89115       69.30675 
1 1 1 4   -5  0  o 191.7663 17.63042 8.206493       2.099671  8.118711       2.048862  0.9493408      35.99412 
1 1 1 4   -5  1  o 1280.786 23.28357 359.6566       15.95314  366.8529       22.85010  -5.924438      49.73270 
1 1 1 4   -5  2  o 171.8970 19.66103 8.072300       1.995500  4.911701       2.128559  43.82861       41.88541 
1 1 1 4   -5  3  o 1050.844 17.20250 237.0835       11.00738  249.5524       11.43190  -26.79553      34.47150 
1 1 1 4   -5  4  o 617.6714 12.83047 85.35364       4.980705  82.45121       4.853848  10.65002       25.73063 
1 1 1 4   -5  5  o 478.5447 12.89227 49.19221       3.992493  51.41905       3.674471  -10.93100      26.00006 
1 1 1 4   -5  6  f 462.9274 13.20333 49.42454       4.060382  45.50436       3.563381  18.78665       26.60152 
1 1 1 4   -5  7  o 531.9023 12.94123 64.39355       4.415424  60.52871       4.137987  16.25659       26.01261 
1 1 1 4   -5  8  o 279.1305 16.85406 18.11711       2.828989  16.41547       2.986814  14.54181       34.32796 
1 1 1 4   -5  9  o 159.6848 31.66951 6.294139       2.621949  5.315578       3.703076  12.00049       61.68464 
1 1 1 4   -5  10 o 501.3483 14.82871 51.99589       4.305130  60.13477       4.981827  -36.08093      29.86770 
1 1 1 4   -5  11 o 231.2633 25.19545 12.24393       3.291616  11.64552       3.896653  7.932083       52.98939 
1 1 1 4   -5  12 o 497.2106 15.73181 51.70860       4.633772  57.83843       5.090470  -27.70578      31.60574 
1 1 1 4   -5  13 o 154.8743 43.45924 4.421324       3.683008  8.297670       5.568799  -45.22041      77.31531 
1 1 1 4   -5  14 o 523.1688 18.17762 57.46560       5.395357  65.07822       6.552312  -31.43539      36.90216 
1 1 1 4   -5  15 o 392.6253 28.13622 34.52706       4.813451  0.000000       0.000000  ?              ?        
1 1 1 4   -5  16 o 354.1686 25.16358 33.01885       4.983270  20.43730       6.198146  89.79019       58.31075 
1 1 1 4   -5  17 o 203.4309 36.87087 7.254214       3.981415  14.06239       5.234545  -66.58090      71.66759 
1 1 1 4   -5  18 o 274.3541 30.80698 18.65897       5.054953  16.08607       5.255890  23.74324       65.10477 
1 1 1 4   -5  19 o 329.4890 30.61135 27.15609       5.771981  22.97037       6.701769  38.03189       67.04734 
1 1 1 4   -5  20 o 139.3299 49.09135 8.126200       4.943934  0.6416460      5.680182  49.60844       78.01673 
1 1 1 4   -5  21 o 171.5212 50.33464 14.52000       5.426252  0.5744480      6.029868  103.6714       77.55519 
1 1 1 4   -5  22 o 110.0298 44.35152 2.668580       3.826852  2.110144       6.464592  -10.93091      73.48676 
1 1 1 4   -5  23 o 173.4719 50.79321 11.24285       5.995982  7.388991       5.648111  27.45288       85.58795 
1 1 1 4   -5  24 o 146.6452 45.95130 4.722307       4.646182  8.066710       4.650037  -27.20187      75.76335 
1 1 1 4   -4  0  o 112.8147 25.17012 1.642431       1.712216  4.210708       1.721131  -42.31793      44.62504 
1 1 1 4   -4  1  f 282.8293 14.35132 17.31835       3.098914  17.77665       2.164644  -4.812531      31.01204 
1 1 1 4   -4  2  o 333.2663 16.67387 24.49015       2.429670  0.000000       0.000000  ?              ?        
1 1 1 4   -4  3  o 495.8734 11.48464 53.70528       3.491356  54.31997       3.575513  -2.785767      23.03337 
1 1 1 4   -4  4  o 537.4907 11.71836 62.44038       3.871559  64.52039       3.943626  -8.799927      23.49506 
1 1 1 4   -4  5  o 195.6602 16.71745 8.833557       2.065981  8.176630       1.957619  7.574249       34.03233 
1 1 1 4   -4  6  o 327.2820 13.72594 20.16102       2.972771  26.27737       2.621201  -43.74304      28.56804 
1 1 1 4   -4  7  o 469.2337 12.55503 48.53805       3.842324  48.43235       3.485982  0.1500854      25.30269 
1 1 1 4   -4  8  o 459.6167 17.99808 46.81863       3.621454  0.000000       0.000000  ?              ?        
1 1 1 4   -4  9  f 150.7263 27.83866 3.797167       2.325930  7.297412       2.738266  -47.97047      53.17744 
1 1 1 4   -4  10 o 235.9420 21.77472 12.19337       2.736925  13.10061       3.836654  -4.742920      47.19007 
1 1 1 4   -4  11 o 277.0598 20.05534 16.21241       3.142850  18.33381       3.795857  -16.12442      41.08998 
1 1 1 4   -4  12 o 128.8022 36.86657 4.470804       2.834798  2.839219       3.443466  14.41124       63.16091 
1 1 1 4   -4  13 o 189.6834 35.84917 5.963315       3.471618  13.40228       5.120358  -77.86948      68.77691 
1 1 1 4   -4  14 o 409.4819 18.35115 39.94679       4.315838  33.14835       5.074923  39.74786       38.27728 
1 1 1 4   -4  15 o 312.4503 22.66762 21.32566       3.848407  22.56520       5.162734  -5.837799      47.98211 
1 1 1 4   -4  16 o 571.1202 17.54077 71.34253       5.861760  73.00074       6.621282  -5.595215      35.48089 
1 1 1 4   -4  17 o 498.8780 18.53190 56.21851       5.462696  53.95815       6.029111  11.56470       37.62927 
1 1 1 4   -4  18 o 266.4068 29.71978 15.53374       4.684662  17.12993       4.985072  -12.71442      62.07349 
1 1 1 4   -4  19 o 165.8110 40.96994 6.925164       3.999522  6.645801       4.408825  2.874207       73.55657 
1 1 1 4   -4  20 o 321.8575 25.29216 20.97228       4.709741  27.77492       5.374067  -45.16159      52.63591 
1 1 1 4   -4  21 o 394.6636 19.89813 35.17366       4.507126  35.62941       5.300090  2.026031       41.27085 
1 1 1 4   -4  22 o 104.3056 42.24032 3.238428       4.685750  1.189515       3.911092  18.70565       69.09124 
1 1 1 4   -4  23 o 111.9410 46.77697 0.9592106      4.904099  4.639320       6.158698  -25.35011      76.25431 
1 1 1 4   -4  24 o 280.3503 38.51517 18.64634       5.774783  24.69855       7.659946  -18.80862      86.54385 
1 1 1 4   -3  0  o 546.1265 10.93457 64.32599       3.644010  66.74129       3.767774  -10.03839      21.91621 
1 1 1 4   -3  1  o 990.3930 15.85111 215.3004       9.730494  216.0623       9.746144  -1.747864      31.74342 
1 1 1 4   -3  2  o 725.2885 17.86421 0.000000       0.000000  115.7479       5.683240  ?              ?        
1 1 1 4   -3  3  o 842.2156 14.00384 156.8550       7.361002  154.9260       7.272244  5.185730       28.03628 
1 1 1 4   -3  4  o 510.9536 10.97505 59.32822       3.525696  55.43406       3.433337  17.35843       22.00038 
1 1 1 4   -3  5  o 210.1782 14.35486 9.512267       1.845049  10.00744       1.875980  -5.394073      29.01355 
1 1 1 4   -3  6  o 351.4291 11.38069 25.84109       2.477725  28.47774       2.477685  -17.16989      22.85162 
1 1 1 4   -3  7  o 228.1809 16.25827 12.61933       2.745078  10.94263       2.000234  15.40376       33.99232 
1 1 1 4   -3  8  o 144.2704 23.94627 6.882688       2.262292  3.202518       1.916377  54.71091       46.50723 
1 1 1 4   -3  9  o 369.1052 12.37913 30.58678       2.825747  29.50621       2.834996  6.722992       24.87149 
1 1 1 4   -3  10 o 115.5689 34.79626 2.274717       2.438536  4.390656       3.064332  -29.67828      59.50450 
1 1 1 4   -3  11 o 499.0790 14.32502 58.10886       4.179234  51.04842       4.732786  33.48221       29.32393 
1 1 1 4   -3  12 o 63.21248 29.98515 -2.596713      2.538579  -2.893879      4.721204  -32.57795      57.03046 
1 1 1 4   -3  13 o 209.8011 29.79450 9.121668       3.248067  11.73515       4.661024  -24.67477      62.43718 
1 1 1 4   -3  14 o 439.6890 16.31690 43.86032       4.137855  41.01804       4.826627  15.71387       33.39867 
1 1 1 4   -3  15 o 369.3883 18.70323 27.85083       3.785809  34.40441       5.010509  -38.12155      38.33500 
1 1 1 4   -3  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -3  17 o 604.0071 25.36569 0.000000       0.000000  81.39947       6.705361  ?              ?        
1 1 1 4   -3  18 o 361.7744 21.16425 27.94201       4.514207  30.80353       4.977359  -16.96060      42.99914 
1 1 1 4   -3  19 o 278.0607 25.76479 16.14790       4.030002  19.76667       4.877381  -26.21204      53.65670 
1 1 1 4   -3  20 o 214.4107 29.90066 8.265359       3.431973  15.24459       4.530667  -66.64719      61.65652 
1 1 1 4   -3  21 o 145.4725 37.74771 2.545121       3.199713  9.154342       3.732043  -72.94944      63.86979 
1 1 1 4   -3  22 o 159.5434 33.76447 6.553271       3.099187  6.154960       3.395570  6.222336       63.86085 
1 1 1 4   -3  23 o 122.7383 38.88333 2.872515       3.296907  5.126747       3.342727  -22.70756      64.53630 
1 1 1 4   -3  24 o 100.2967 38.55732 -1.239628      3.320841  6.140360       3.432716  -60.85596      60.76957 
1 1 1 4   -3  25 o 200.9371 29.63286 10.71171       3.538967  9.546500       3.628444  14.88138       62.78808 
1 1 1 4   -2  0  o 90.25232 23.80370 1.574366       1.340834  2.157707       1.362540  -10.84306      41.61997 
1 1 1 4   -2  1  o 114.4892 19.48286 2.015189       1.314398  3.975393       1.354838  -36.96879      37.75131 
1 1 1 4   -2  2  o 384.3270 9.731674 32.40587       2.321499  32.48715       2.314962  -0.4866333     19.49515 
1 1 1 4   -2  3  o 803.3377 13.22640 143.7519       6.656621  139.8986       6.527424  10.88794       26.47680 
1 1 1 4   -2  4  o 186.7442 13.56810 6.882723       1.558642  8.527802       1.563421  -20.41808      27.64430 
1 1 1 4   -2  5  o 205.8175 12.85294 8.198621       1.592599  10.60907       1.676166  -26.84949      26.02219 
1 1 1 4   -2  6  o 718.1259 12.44373 112.9815       5.519997  113.6259       5.566878  -2.026001      24.90971 
1 1 1 4   -2  7  o 465.8797 10.44252 47.81433       3.029854  47.52774       3.005956  1.391205       20.93758 
1 1 1 4   -2  8  o 431.3316 11.38119 39.01913       3.208002  42.47504       2.900287  -18.61795      23.05593 
1 1 1 4   -2  9  o 107.5852 27.45262 2.193149       1.916274  3.099215       1.768406  -13.30058      48.37302 
1 1 1 4   -2  10 o 555.1238 12.46424 65.98350       4.105157  70.26674       4.507204  -17.05878      25.08569 
1 1 1 4   -2  11 o 409.3489 14.19325 38.51570       3.430163  35.25988       3.794577  18.99402       28.86805 
1 1 1 4   -2  12 o 251.4637 23.79127 14.19235       2.592980  0.000000       0.000000  ?              ?        
1 1 1 4   -2  13 o 185.0620 35.51015 9.370680       3.133266  2.601768       6.003391  54.09325       70.14321 
1 1 1 4   -2  14 o 254.3505 21.21633 16.26896       2.956860  11.20246       3.851941  50.22984       48.60621 
1 1 1 4   -2  15 o 369.2007 17.25253 29.69508       3.541809  30.85093       4.512941  -5.669342      35.66856 
1 1 1 4   -2  16 o 428.3754 17.31575 40.39980       4.219355  40.87368       5.084335  -1.113678      35.46106 
1 1 1 4   -2  17 o 134.4925 39.91479 3.872065       3.236882  4.642744       4.033946  -12.98688      68.64438 
1 1 1 4   -2  18 o 300.4891 22.30881 19.64422       3.846875  20.95072       4.483161  -8.180267      45.85800 
1 1 1 4   -2  19 o 405.5321 17.34027 34.10643       4.045040  39.95893       4.741581  -31.23996      35.13065 
1 1 1 4   -2  20 o 223.5240 24.29286 11.84295       3.172155  10.93934       3.477333  11.51788       51.17020 
1 1 1 4   -2  21 f 240.1757 22.97177 15.43913       3.276648  10.81889       3.495590  48.11624       49.84523 
1 1 1 4   -2  22 o 356.4401 17.57567 29.18721       3.817558  28.15299       3.933278  7.398132       35.86409 
1 1 1 4   -2  23 o 195.7997 28.15546 10.39263       3.329159  8.184277       3.313922  26.28020       58.96977 
1 1 1 4   -2  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   -2  25 o 118.4261 36.49419 5.476737       2.948210  2.099303       2.942540  36.28441       60.14719 
1 1 1 4   -1  0  o 769.2634 17.98186 130.2122       6.067515  0.000000       0.000000  ?              ?        
1 1 1 4   -1  1  o 425.1335 9.246640 40.92687       2.474201  38.48980       2.404332  13.05634       18.53235 
1 1 1 4   -1  2  o 712.5812 11.89614 109.1326       5.174516  114.0745       5.346580  -15.75067      23.81073 
1 1 1 4   -1  3  o 229.0204 10.26518 12.08552       1.477938  11.02477       1.432388  10.57018       20.62005 
1 1 1 4   -1  4  o 150.3869 13.42929 4.628175       1.230818  5.399923       1.248623  -11.93289      27.42876 
1 1 1 4   -1  5  f 801.0961 12.97017 139.1301       6.402744  142.8930       6.488814  -10.68060      25.96238 
1 1 1 4   -1  6  o 441.8714 9.604795 43.73820       2.656513  42.01826       2.609504  8.867065       19.25105 
1 1 1 4   -1  7  o 150.2479 16.61868 6.643518       1.537245  3.469103       1.509208  49.62888       35.30569 
1 1 1 4   -1  8  o 560.8544 10.61737 67.06802       3.664296  71.19720       3.724199  -16.77826      21.28088 
1 1 1 4   -1  9  o 154.3120 20.18857 4.855614       2.431079  5.563960       1.595266  -12.47253      44.87408 
1 1 1 4   -1  10 o 292.7222 12.11224 19.07538       2.194232  18.72624       2.194986  2.738098       24.35203 
1 1 1 4   -1  11 o 490.3166 14.00765 46.82957       4.599588  57.84940       3.979630  -53.14273      29.08725 
1 1 1 4   -1  12 o 122.0026 38.35001 3.414224       2.287480  0.000000       0.000000  ?              ?        
1 1 1 4   -1  13 o 619.7486 23.70469 85.36980       6.432055  0.000000       0.000000  ?              ?        
1 1 1 4   -1  14 o 448.7188 14.06754 41.03363       3.461304  50.19296       4.598228  -45.01422      28.71454 
1 1 1 4   -1  15 o 305.4765 18.02107 20.44217       2.956913  21.07315       4.128576  -2.666473      38.42115 
1 1 1 4   -1  16 o 810.7419 15.30022 141.7847       7.370484  148.7001       8.066043  -18.65613      30.79119 
1 1 1 4   -1  17 o 542.8013 15.00348 66.04791       4.751989  63.63001       5.404774  11.04352       30.46387 
1 1 1 4   -1  18 o 547.7247 15.23995 60.06999       4.790302  74.86321       5.664939  -60.15381      30.66505 
1 1 1 4   -1  19 o 270.7505 18.86878 16.63330       3.007060  16.02494       3.313660  6.197021       38.66947 
1 1 1 4   -1  20 o 168.4100 28.56389 6.146146       2.770673  7.195471       2.997724  -12.86311      56.91013 
1 1 1 4   -1  21 o 97.93222 35.87090 1.946445       2.751411  2.029413       2.953155  -2.742409      59.03901 
1 1 1 4   -1  22 o 100.4271 35.72347 1.476750       2.796637  3.054346       2.799967  -16.08147      58.58033 
1 1 1 4   -1  23 o 391.8279 15.14740 34.79317       3.629971  34.25539       3.721287  3.687012       30.77518 
1 1 1 4   -1  24 o 120.7080 34.85056 2.345995       2.742368  5.304079       2.766801  -34.66673      58.58421 
1 1 1 4   -1  25 o 278.7892 19.28405 16.46479       3.202407  19.90031       3.439048  -26.76392      40.16370 
1 1 1 4   -1  26 o 90.51923 34.55928 -0.7574012     2.565726  5.178412       2.855877  -57.43903      54.96014 
1 1 1 4   0   0  o 182.4005 11.98173 7.533620       1.379042  7.160173       1.319315  4.625931       24.18942 
1 1 1 4   0   1  o 96.65564 18.92133 2.167527       1.081925  2.084893       1.106179  1.707207       36.03444 
1 1 1 4   0   2  o 121.2792 14.12779 3.070577       1.037776  3.485373       1.048272  -7.996208      29.02141 
1 1 1 4   0   3  o 86.32014 19.61091 1.549844       1.028381  1.860357       1.023875  -6.723000      35.78025 
1 1 1 4   0   4  o 159.6152 11.55536 5.493969       1.146665  5.749956       1.126367  -3.752457      23.39611 
1 1 1 4   0   5  o 824.4742 13.05247 147.7923       6.633164  150.9252       6.718728  -8.633667      26.12751 
1 1 1 4   0   6  o 790.1986 12.63781 135.4487       6.127518  138.9608       6.264260  -10.08337      25.29720 
1 1 1 4   0   7  o 1396.209 21.07051 429.7464       18.26223  429.5025       18.23602  0.3795166      42.24437 
1 1 1 4   0   8  o 573.1967 10.23468 73.18081       3.680222  71.17280       3.599329  7.955994       20.50694 
1 1 1 4   0   9  o 361.6460 9.821548 26.68959       2.320844  30.43594       2.098495  -23.94635      19.96448 
1 1 1 4   0   10 o 297.2779 14.64593 19.52863       1.903890  0.000000       0.000000  ?              ?        
1 1 1 4   0   11 o 117.8969 34.60522 0.000000       0.000000  3.233452       1.906313  ?              ?        
1 1 1 4   0   12 o 465.5237 13.27483 53.73101       3.644484  40.63903       4.045919  65.81638       27.51322 
1 1 1 4   0   13 o 66.73613 28.67034 -0.7936540     1.892487  1.209027       2.504184  -29.30532      49.47099 
1 1 1 4   0   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   0   15 o 90.22633 33.19536 2.024800       2.098633  0.2717556      3.039819  5.044479       55.24521 
1 1 1 4   0   16 o 701.3212 13.57109 109.0527       5.754590  107.4450       6.065732  5.560608       27.28162 
1 1 1 4   0   17 o 248.2826 17.77760 13.07615       2.441165  14.70019       3.122796  -13.41624      36.76651 
1 1 1 4   0   18 o 516.5823 13.09852 60.36649       4.085381  57.05075       4.311757  14.96060       26.37154 
1 1 1 4   0   19 o 446.6519 13.51119 43.76094       3.636778  44.37871       3.850808  -2.817200      27.18343 
1 1 1 4   0   20 o 335.0842 15.35272 25.10546       3.137198  24.75944       3.230309  2.633026       31.01567 
1 1 1 4   0   21 o 231.4423 18.39239 11.53636       2.551961  12.64497       2.691325  -10.53629      37.70033 
1 1 1 4   0   22 o 340.9592 14.67811 27.16790       3.041699  24.77553       3.155872  16.77014       29.85620 
1 1 1 4   0   23 o 233.9114 19.05244 13.61180       2.681415  11.29314       2.803862  24.51300       39.97784 
1 1 1 4   0   24 o 209.7923 22.53792 10.32090       2.787600  10.40691       2.998108  1.389267       47.98348 
1 1 1 4   0   25 o 223.6921 21.12132 11.59621       2.920154  11.88632       2.872653  -3.691574      44.68518 
1 1 1 4   0   26 o 75.27979 32.17083 2.234524       2.704595  -0.9993821     2.622273  25.41000       52.68943 
1 1 1 4   1   0  o 183.4716 12.70073 7.863286       1.457091  7.019967       1.416882  10.55147       25.68139 
1 1 1 4   1   1  o 493.7746 9.688560 52.35259       2.938971  54.74010       2.997067  -11.01389      19.41276 
1 1 1 4   1   2  o 590.5372 10.32566 75.38539       3.745307  77.79401       3.820868  -9.276978      20.66265 
1 1 1 4   1   3  o 541.2300 9.679492 63.91785       3.247188  64.69401       3.252329  -3.271912      19.39023 
1 1 1 4   1   4  o 150.8337 11.33633 5.607144       1.087026  4.509093       1.021845  16.69824       22.99101 
1 1 1 4   1   5  o 363.6551 8.084045 29.48843       1.828996  28.56248       1.818294  5.810516       16.20258 
1 1 1 4   1   6  o 596.4270 9.977751 81.14938       3.799204  75.36471       3.592519  22.03607       19.96922 
1 1 1 4   1   7  o 241.6990 8.589712 12.84138       1.309464  12.83538       1.263404  0.2107239E-01  17.23654 
1 1 1 4   1   8  o 1677.838 25.10993 635.7036       26.57428  609.3876       25.71558  35.04041       50.41594 
1 1 1 4   1   9  o 219.1109 9.378549 11.50798       1.307002  9.712302       1.239250  18.68434       18.84351 
1 1 1 4   1   10 o 314.0074 9.809538 23.31839       2.380902  20.91772       1.637942  16.57693       20.70777 
1 1 1 4   1   11 o 72.85004 29.86635 0.000000       0.000000  0.4478755      1.523404  ?              ?        
1 1 1 4   1   12 o 327.3465 11.40454 25.61494       2.451601  22.06144       2.194273  24.35910       22.92953 
1 1 1 4   1   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   1   14 o 805.2448 18.99154 0.000000       0.000000  143.2738       6.707944  ?              ?        
1 1 1 4   1   15 o 189.3831 17.44411 7.144806       1.834955  9.266573       2.293476  -24.65863      35.77481 
1 1 1 4   1   16 o 115.7084 27.96523 3.631264       1.707348  1.990677       2.464385  18.97984       50.37965 
1 1 1 4   1   17 o 482.5446 11.18186 49.09821       3.135546  54.04507       3.608188  -22.87421      22.53868 
1 1 1 4   1   18 o 200.5983 19.01339 9.944017       2.213354  7.758351       2.485656  26.70352       40.33724 
1 1 1 4   1   19 o 305.0610 13.74098 21.44628       2.507811  19.54988       2.688859  14.64407       27.86353 
1 1 1 4   1   20 o 171.1328 21.75353 6.826960       2.212350  6.449328       2.304847  5.631119       45.00550 
1 1 1 4   1   21 o 520.7408 26.89040 62.08243       6.121342  0.000000       0.000000  ?              ?        
1 1 1 4   1   22 o 173.3866 22.88792 6.067900       2.409074  7.868793       2.394300  -24.61710      47.76960 
1 1 1 4   1   23 f 292.2346 15.22179 19.22614       2.732283  19.14083       2.767824  0.8654175      30.95081 
1 1 1 4   1   24 o 231.4281 17.68399 14.70875       2.506771  9.737700       2.532383  51.44719       37.84107 
1 1 1 4   1   25 o 73.90385 30.48485 0.5276159      2.245902  0.9272159      2.279595  -4.021370      49.96367 
1 1 1 4   1   26 o 111.7006 34.02518 4.820335       2.476395  1.644246       2.674514  36.12366       55.74609 
1 1 1 4   2   0  o 495.9404 10.19858 55.05466       3.188004  53.00706       3.089348  9.381348       20.43992 
1 1 1 4   2   1  o 247.7454 14.42337 0.000000       0.000000  13.53474       1.560599  ?              ?        
1 1 1 4   2   2  o 127.6989 15.07363 2.090487       1.140841  5.352850       1.203819  -59.11968      31.92702 
1 1 1 4   2   3  o 153.5904 12.24446 5.095548       1.151795  5.335192       1.162161  -3.600037      24.84020 
1 1 1 4   2   4  o 141.4996 13.05332 4.913926       1.149322  3.984500       1.117067  15.25841       26.72794 
1 1 1 4   2   5  o 415.8996 8.598513 38.81301       2.262060  37.17820       2.177061  8.935486       17.23192 
1 1 1 4   2   6  o 1109.050 16.81717 271.5501       11.60818  269.5414       11.53149  4.092773       33.68331 
1 1 1 4   2   7  o 1133.596 17.09923 280.4767       11.95942  284.9510       12.08976  -8.937012      34.25084 
1 1 1 4   2   8  o 730.7684 16.19364 117.4811       5.190694  0.000000       0.000000  ?              ?        
1 1 1 4   2   9  o 255.0924 7.479919 13.52291       1.153392  15.14970       1.213578  -14.51804      14.98913 
1 1 1 4   2   10 o 554.6431 12.93579 67.68236       3.147082  0.000000       0.000000  ?              ?        
1 1 1 4   2   11 o 110.1903 16.53607 3.044939       1.181621  2.512157       1.025738  10.53644       33.43224 
1 1 1 4   2   12 o 66.54700 23.28081 0.5384346      1.146292  1.281724       1.227161  -13.69897      38.56453 
1 1 1 4   2   13 o 303.4765 12.74164 0.000000       0.000000  20.35062       1.692328  ?              ?        
1 1 1 4   2   14 o 252.2857 8.933988 13.75754       1.476805  14.20159       1.327060  -4.207169      18.06527 
1 1 1 4   2   15 o 217.9229 9.904367 10.41073       1.311950  10.50293       1.360140  -0.9094543     19.91227 
1 1 1 4   2   16 o 453.9506 9.157692 45.47010       2.536238  45.04967       2.623495  2.177734       18.37020 
1 1 1 4   2   17 o 205.8295 17.19972 9.975454       2.178276  8.870357       2.173746  12.52286       35.12927 
1 1 1 4   2   18 o 232.6890 13.14844 12.80347       1.810981  10.95798       1.980695  18.68419       26.93062 
1 1 1 4   2   19 o 389.2535 11.59336 33.49977       2.685073  33.24033       2.922455  1.828339       23.36043 
1 1 1 4   2   20 f 555.8268 11.49032 66.63696       3.840406  69.76496       4.095388  -12.47491      23.09448 
1 1 1 4   2   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   2   22 o 363.7561 12.27911 28.64368       2.699628  30.17612       2.839149  -9.231415      24.75449 
1 1 1 4   2   23 o 63.91727 27.71642 -0.4816375     2.029125  0.4528067      2.035451  -8.319923      46.26649 
1 1 1 4   2   24 o 107.8965 30.55587 2.952375       2.092910  2.886300       2.184936  0.6645966      52.64840 
1 1 1 4   2   25 o 105.6046 31.26606 2.581390       2.145792  3.189792       2.243148  -8.182678      53.16880 
1 1 1 4   2   26 o 96.41626 31.87145 1.431756       2.214110  3.383242       2.218000  -23.23193      52.24266 
1 1 1 4   2   27 o 119.4914 30.61161 2.237432       2.220814  5.544092       2.341913  -43.99476      52.71398 
1 1 1 4   3   0  o 561.2881 11.00165 70.93092       3.909685  67.56031       3.756010  13.63708       22.04926 
1 1 1 4   3   1  o 168.1612 14.19059 5.927395       1.506477  6.556366       1.429495  -8.900177      29.03710 
1 1 1 4   3   2  o 194.0885 11.93627 9.145400       1.474544  7.558265       1.389521  18.68820       24.08636 
1 1 1 4   3   3  o 441.7681 9.468321 43.88242       2.633679  41.85826       2.557362  10.42664       18.97637 
1 1 1 4   3   4  o 238.1689 10.03299 12.28690       1.493333  12.65684       1.465004  -3.585709      20.15385 
1 1 1 4   3   5  o 248.8174 9.612874 12.99387       1.458811  14.26701       1.504071  -11.67281      19.28998 
1 1 1 4   3   6  f 169.7325 11.46442 7.912756       1.241658  4.991282       1.162256  39.59705       23.55742 
1 1 1 4   3   7  o 450.1177 8.661027 43.92895       2.415382  45.01321       2.421247  -5.497498      17.35236 
1 1 1 4   3   8  o 536.0612 9.131146 63.10392       3.042165  63.06582       3.030625  0.1581421      18.27135 
1 1 1 4   3   9  o 1015.727 15.31503 228.8116       9.711814  225.2503       9.588642  7.921326       30.68058 
1 1 1 4   3   10 o 819.9088 17.58759 153.0074       9.157750  143.9416       8.746723  24.83868       35.33693 
1 1 1 4   3   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   3   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   3   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   3   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   3   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   3   16 o 107.2431 22.54177 2.640489       1.026647  0.000000       0.000000  ?              ?        
1 1 1 4   3   17 o 580.1666 9.574715 74.51386       3.451713  73.44739       3.439993  4.186768       19.17014 
1 1 1 4   3   18 o 552.2728 10.93682 66.26634       3.238579  68.80614       4.606707  -8.805054      23.18709 
1 1 1 4   3   19 o 85.42001 24.81661 2.095075       1.336274  1.140965       1.457009  14.97878       42.10250 
1 1 1 4   3   20 o 178.0246 14.78618 6.072135       1.520504  8.334414       1.737392  -28.69171      30.16488 
1 1 1 4   3   21 o 451.1908 10.42284 44.74282       2.832433  45.06579       3.010010  -1.302887      20.97891 
1 1 1 4   3   22 o 258.2063 18.76892 0.000000       0.000000  15.05160       2.111212  ?              ?        
1 1 1 4   3   23 o 267.6587 13.07695 14.44872       2.067451  17.90543       2.276985  -28.76553      26.50138 
1 1 1 4   3   24 f 251.6759 13.77023 14.43555       2.111969  14.01239       2.172544  4.263962       28.04091 
1 1 1 4   3   25 o 346.7307 12.58847 29.55453       2.799603  24.77478       2.615912  30.68408       25.54177 
1 1 1 4   3   26 o 74.67794 29.00543 2.285933       1.983312  0.3315694E-01  1.870836  25.85663       47.13998 
1 1 1 4   3   27 o 97.10722 29.77897 1.588829       1.915362  3.470658       2.016768  -25.42975      49.64017 
1 1 1 4   4   0  o 661.9420 12.21491 94.78876       4.973976  97.74265       5.058370  -10.14966      24.47753 
1 1 1 4   4   1  o 590.7733 11.36497 76.41637       4.147548  76.87508       4.182490  -1.756653      22.77482 
1 1 1 4   4   2  o 296.5848 11.16456 19.11359       2.028682  19.58298       2.072755  -3.588623      22.40177 
1 1 1 4   4   3  o 333.8074 10.33597 22.39399       2.058936  26.93570       2.226178  -30.92447      20.72126 
1 1 1 4   4   4  o 390.3609 9.905696 36.72968       2.469759  30.57869       2.329793  35.86612       19.85570 
1 1 1 4   4   5  o 419.5560 13.36935 38.71611       2.457235  0.000000       0.000000  ?              ?        
1 1 1 4   4   6  o 701.3796 16.58268 108.1990       5.101633  0.000000       0.000000  ?              ?        
1 1 1 4   4   7  o 385.0601 8.959641 32.61839       2.139560  32.47441       2.140655  0.8547668      17.96149 
1 1 1 4   4   8  o 341.6721 13.96727 0.000000       0.000000  25.70546       2.088842  ?              ?        
1 1 1 4   4   9  o 430.9048 9.114880 40.93521       2.409323  40.59785       2.464410  1.820221       18.27599 
1 1 1 4   4   10 o 89.31363 21.50663 1.797330       1.161220  1.873732       1.193877  -1.751152      38.68259 
1 1 1 4   4   11 o 495.8409 11.45947 57.18630       3.660100  51.44437       3.403307  26.15842       23.00674 
1 1 1 4   4   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   4   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   4   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   4   15 x ?        ?        ?              ?         ?              ?         ?              ?        
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 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   4   20 o 171.5515 11.47264 6.418581       1.274364  6.591280       1.161239  -2.633392      23.35171 
1 1 1 4   4   21 o 131.5413 16.36903 4.682642       1.351333  3.214795       1.266509  25.70275       33.79094 
1 1 1 4   4   22 o 213.2246 12.04806 10.75210       1.670177  9.563713       1.515277  12.29585       24.38487 
1 1 1 4   4   23 f 480.2417 11.61758 53.80005       3.980983  49.69531       3.102740  16.13089       23.98835 
1 1 1 4   4   24 o 314.1297 12.03870 22.90071       2.479652  21.30827       2.224189  10.46292       24.40931 
1 1 1 4   4   25 o 73.73502 27.69869 1.702596       1.755454  0.5622840      1.681632  14.81882       45.31048 
1 1 1 4   4   26 o 110.4147 27.23272 3.646151       1.980772  2.664574       1.747842  14.67754       48.98389 
1 1 1 4   4   27 f 42.96936 20.80094 -1.124597      1.701167  -2.259127      1.705176  6.594486       36.49965 
1 1 1 4   5   0  o 402.1139 11.90266 35.60206       2.985553  35.49124       2.946289  0.6049805      23.86202 
1 1 1 4   5   1  o 223.9364 15.39359 10.74426       2.128356  11.40625       2.122363  -6.845230      31.13705 
1 1 1 4   5   2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   4  o 783.5300 13.43213 141.5011       6.754249  129.1024       6.324064  35.87134       26.89480 
1 1 1 4   5   5  o 420.6202 11.08251 41.92879       2.969436  36.13725       2.814990  31.33618       22.21194 
1 1 1 4   5   6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   10 o 128.6842 30.21063 3.161693       2.370677  4.517560       2.369402  -19.18748      54.44847 
1 1 1 4   5   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   12 o 678.0222 15.86784 0.000000       0.000000  101.7506       4.719140  ?              ?        
1 1 1 4   5   13 o 161.3409 13.68866 9.253245       1.824055  4.467990       1.128368  62.08582       28.03134 
1 1 1 4   5   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   5   23 o 314.9308 8.876461 20.48372       1.982307  22.82485       1.558043  -18.49207      18.66546 
1 1 1 4   5   24 o 67.99062 24.11030 1.500408       1.402251  0.6037008      1.175159  17.06789       40.06607 
1 1 1 4   5   25 o 219.3649 12.01628 11.63917       1.708905  10.10158       1.559153  15.27029       24.43436 
1 1 1 4   5   26 o 202.8151 13.46063 9.468706       1.734184  9.207439       1.637759  2.190994       27.63035 
1 1 1 4   5   27 o 80.36509 26.86928 2.478912       1.798125  1.068797       1.417092  22.31041       44.94935 
1 1 1 4   5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   2  o 897.8444 22.25209 0.000000       0.000000  177.7214       8.763409  ?              ?        
1 1 1 4   6   3  o 841.2645 21.26968 0.000000       0.000000  156.0448       7.842352  ?              ?        
1 1 1 4   6   4  o 476.2321 13.62555 49.71577       3.967330  50.04898       4.077066  -1.527649      27.32571 
1 1 1 4   6   5  o 674.8132 13.41214 100.9893       5.611071  99.13654       5.617591  6.276917       26.88931 
1 1 1 4   6   6  o 640.9487 18.89008 90.53902       5.304987  0.000000       0.000000  ?              ?        
1 1 1 4   6   7  o 828.7735 14.52390 150.8060       7.405380  151.2576       7.529805  -0.9131470     29.10485 
1 1 1 4   6   8  o 835.2352 14.52683 152.1159       7.405013  154.8530       7.654274  -7.321655      29.10415 
1 1 1 4   6   9  f 570.0627 13.19549 71.42074       4.653092  71.52626       4.679445  -0.4016113     26.47909 
1 1 1 4   6   10 o 171.7940 29.51446 6.006439       2.984941  7.575866       3.081303  -19.84215      58.12786 
1 1 1 4   6   11 o 720.8245 18.46253 0.000000       0.000000  115.1516       5.832629  ?              ?        
1 1 1 4   6   12 o 550.7848 15.57509 0.000000       0.000000  67.19653       3.759045  ?              ?        
1 1 1 4   6   13 o 312.2067 14.27062 21.60025       1.949110  0.000000       0.000000  ?              ?        
1 1 1 4   6   14 o 154.4794 14.62510 4.864367       1.285586  5.940484       1.511184  -15.38307      29.98939 
1 1 1 4   6   15 o 303.3720 9.467374 21.07329       1.645745  19.07929       1.952166  15.42844       19.46363 
1 1 1 4   6   16 o 731.9821 13.26402 114.7027       5.135593  125.0150       7.620120  -29.33752      28.29169 
1 1 1 4   6   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   6   27 o 149.5079 28.43299 0.000000       0.000000  5.834428       1.796487  ?              ?        
1 1 1 4   6   28 o 79.04605 21.30315 1.476856       1.274205  1.615896       0.9376567 -1.796577      37.59330 
1 1 1 4   7   0  o 347.6887 20.11203 24.57252       4.160932  29.30008       4.497064  -30.78586      40.60731 
1 1 1 4   7   1  o 326.5957 20.44732 20.44204       3.953748  27.37759       4.313101  -48.33664      41.42150 
1 1 1 4   7   2  o 668.2729 21.49607 98.58909       6.292871  0.000000       0.000000  ?              ?        
1 1 1 4   7   3  o 969.0705 16.86126 202.1068       9.935853  211.5691       10.34851  -22.02582      33.78426 
1 1 1 4   7   4  o 506.5017 15.25858 56.51304       4.719980  56.42059       4.860471  0.5260620      30.62303 
1 1 1 4   7   5  o 898.4762 16.00599 170.2055       8.676388  185.8658       9.187182  -39.73096      32.08234 
1 1 1 4   7   6  o 927.3770 16.17212 194.3313       9.409126  184.3677       9.201071  24.68164       32.41584 
1 1 1 4   7   7  o 374.8616 17.50013 32.49540       3.982309  29.41275       4.138495  19.10547       35.36502 
1 1 1 4   7   8  o 274.1159 23.20208 17.96717       3.904580  15.49137       3.911939  21.13922       47.52388 
1 1 1 4   7   9  o 200.3482 32.26663 7.269139       3.785949  11.29029       3.968342  -44.32141      64.15211 
1 1 1 4   7   10 o 330.5370 21.51041 24.14967       5.588448  24.40730       3.728794  -6.577148      47.91920 
1 1 1 4   7   11 o 158.0933 30.87213 7.699643       2.774298  3.507961       3.088816  52.87492       57.56645 
1 1 1 4   7   12 o 109.1299 33.99645 5.239308       3.268357  1.644996       2.159546  50.69151       58.73052 
1 1 1 4   7   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   16 o 433.0407 10.19895 41.06604       2.740762  41.36593       2.738605  -1.585052      20.46045 
1 1 1 4   7   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   18 o 368.8809 8.887465 30.12308       2.068373  29.72000       2.000655  2.424683       17.83947 
1 1 1 4   7   19 o 330.3317 9.117859 23.41175       1.853603  24.62062       1.879808  -8.338959      18.28400 
1 1 1 4   7   20 o 83.73293 35.34449 0.000000       0.000000  0.2962542      2.224962  ?              ?        
1 1 1 4   7   21 o 461.2597 17.84489 0.000000       0.000000  47.45757       3.603634  ?              ?        
1 1 1 4   7   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   8   0  o 132.9006 47.33863 2.643150       4.763429  4.605435       5.082849  -18.09114      78.34144 
1 1 1 4   8   1  o 716.3118 16.59034 110.2386       7.213292  116.0942       7.541242  -18.37860      33.32478 
1 1 1 4   8   2  o 424.6764 19.33301 39.13385       4.954770  40.64872       5.214462  -7.862274      38.94411 
1 1 1 4   8   3  o 358.1801 20.63977 28.81848       4.475363  27.93796       4.663353  5.952972       41.74414 
1 1 1 4   8   4  o 550.4247 16.72410 64.25661       5.562669  69.53858       5.855924  -21.68207      33.57096 
1 1 1 4   8   5  o 305.1458 23.48756 21.46674       4.316515  19.85657       4.513541  12.68393       47.95870 
1 1 1 4   8   6  o 321.9594 23.11811 24.80971       4.539598  21.16984       4.634616  26.47858       47.21240 
1 1 1 4   8   7  o 489.3076 17.32532 55.35943       5.302437  50.39272       5.199895  23.15088       34.82859 
1 1 1 4   8   8  o 224.0546 32.91079 14.41002       4.463583  8.561025       4.412652  59.36127       66.79633 
1 1 1 4   8   9  o 677.3531 15.12495 103.4368       6.371497  98.86331       6.338917  15.41718       30.38635 
1 1 1 4   8   10 o 322.2059 19.65377 21.24573       3.665901  25.55688       4.209239  -29.46078      39.86190 
1 1 1 4   8   11 o 225.6060 24.15087 10.79411       3.130534  12.47386       3.566637  -15.59634      50.13619 
1 1 1 4   8   12 o 137.9229 42.57014 0.000000       0.000000  4.547953       2.832571  ?              ?        
1 1 1 4   8   13 o 142.3380 42.19920 15.22494       6.215469  2.184822       3.168739  128.7684       73.75000 
1 1 1 4   8   14 o 403.5988 16.93651 36.09726       2.991636  0.000000       0.000000  ?              ?        
1 1 1 4   8   15 o 285.0280 15.54204 20.14623       2.491508  14.64902       3.074708  46.52914       33.78981 
1 1 1 4   8   16 o 322.8344 12.30729 23.84165       2.621586  22.27645       2.325288  10.72012       24.81424 
1 1 1 4   8   17 o 399.6957 11.25048 36.46423       2.871108  34.03352       2.709259  13.71503       22.57592 
1 1 1 4   8   18 o 143.7919 21.17971 4.258632       1.811887  5.147765       1.854133  -14.04030      42.96329 
1 1 1 4   8   19 o 151.8282 21.89557 7.597726       2.222951  3.611801       1.837074  57.68457       43.92247 
1 1 1 4   8   20 o 372.2061 17.05959 30.76802       2.777774  0.000000       0.000000  ?              ?        
1 1 1 4   8   21 o 150.1542 18.00005 3.731359       1.654147  6.421305       1.632499  -42.35538      38.03309 
1 1 1 4   8   22 o 178.6901 13.59871 6.825129       1.529518  7.416331       1.464652  -8.032578      27.84556 
1 1 1 4   8   23 o 148.3487 14.87644 5.364446       1.344744  4.576436       1.356395  12.67787       30.91814 
1 1 1 4   8   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   8   25 o 167.1504 11.29068 5.518209       1.174293  7.001197       1.153634  -20.90749      23.30597 
1 1 1 4   8   26 f 178.0774 22.17107 7.691245       1.694395  0.000000       0.000000  ?              ?        
1 1 1 4   8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   9   0  o 614.9515 18.54082 81.58103       6.898222  86.22554       7.243703  -16.70721      37.32780 
1 1 1 4   9   1  f 600.3611 18.57043 77.59795       6.778388  82.09492       7.044534  -16.76099      37.35882 
1 1 1 4   9   2  o 497.1382 19.42323 53.91572       5.932713  55.49567       6.024972  -7.160736      39.10455 
1 1 1 4   9   3  o 529.1156 18.83724 61.64604       6.069771  62.12551       6.281513  -1.794556      37.90441 
1 1 1 4   9   4  o 1138.904 19.72063 284.3362       13.83149  288.5917       14.03545  -8.317627      39.57866 
1 1 1 4   9   5  o 666.3015 17.15791 95.79986       7.009961  100.1769       7.164190  -14.86652      34.44719 
1 1 1 4   9   6  o 958.4407 17.89808 206.1302       10.72582  199.3112       10.55843  16.09314       35.94803 
1 1 1 4   9   7  o 628.7061 17.20749 88.57124       6.754570  86.02243       6.655727  9.160889       34.56647 
1 1 1 4   9   8  o 393.1670 20.53064 34.14736       4.930674  34.52078       5.051230  -1.947357      41.49261 
1 1 1 4   9   9  o 361.3310 25.35924 35.60214       7.527631  26.82859       4.711452  46.15155       54.88371 
1 1 1 4   9   10 o 238.5394 28.73425 13.38404       3.816414  12.45204       4.634269  13.08200       61.26299 
1 1 1 4   9   11 o 206.8444 29.57187 8.577103       3.473315  11.59559       3.944481  -31.44203      60.66925 
1 1 1 4   9   12 o 155.7920 43.02723 0.000000       0.000000  5.948526       3.037265  ?              ?        
1 1 1 4   9   13 o 70.27039 32.53193 0.3120098      3.814757  -3.119040      3.030964  31.40144       57.64285 
1 1 1 4   9   14 o 423.5861 16.90368 41.27198       5.426241  38.95420       3.839753  9.478302       35.87080 
1 1 1 4   9   15 o 599.5681 12.98843 76.68357       4.780256  81.70181       4.882808  -19.03210      26.07126 
1 1 1 4   9   16 o 421.4239 13.21958 43.04644       3.638927  35.95182       3.290446  37.99359       26.54051 
1 1 1 4   9   17 o 127.5761 28.01783 3.730504       2.235689  3.828559       2.085127  -1.151329      51.85222 
1 1 1 4   9   18 o 93.37317 31.74015 0.6082803      2.413157  2.728061       2.029046  -20.90342      51.99688 
1 1 1 4   9   19 o 276.2841 28.17587 17.32231       3.366819  0.000000       0.000000  ?              ?        
1 1 1 4   9   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   9   21 o 253.5085 13.78626 13.97600       2.239985  14.54277       2.087693  -5.648651      28.00059 
1 1 1 4   9   22 o 157.5768 19.13219 7.323793       1.897314  4.222713       1.772755  45.45566       40.04134 
1 1 1 4   9   23 o 241.1622 18.59821 13.26305       1.952163  0.000000       0.000000  ?              ?        
1 1 1 4   9   24 o 187.9380 15.19233 7.287815       1.718133  8.838029       1.796624  -18.80573      31.39994 
1 1 1 4   9   25 o 177.4317 18.72438 7.024398       1.637295  8.449939       2.983124  -1.900452      45.87802 
1 1 1 4   9   26 o 156.1086 16.75498 5.267956       1.499177  6.264068       1.717236  -12.34882      35.45928 
1 1 1 4   9   27 o 179.8708 20.95826 0.000000       0.000000  7.876272       1.622608  ?              ?        
1 1 1 4   9   28 o 132.5481 22.95943 5.031994       2.029468  4.079284       1.663482  9.859650       46.94596 
1 1 1 4   10  0  f 311.4033 45.22206 15.80779       8.020781  32.46714       9.029196  -116.7762      92.34185 
1 1 1 4   10  1  o 405.1213 35.04151 41.50159       8.412193  33.25660       9.063409  51.86047       74.69004 
1 1 1 4   10  2  o 470.3200 21.92965 53.87959       6.434083  44.85494       6.327930  44.06927       44.49939 
1 1 1 4   10  3  o 296.8016 31.89535 16.60253       5.719865  23.64881       5.842661  -55.99194      67.11565 
1 1 1 4   10  4  o 332.2920 28.19382 25.82171       5.717280  23.90172       5.796975  13.86322       58.02646 
1 1 1 4   10  5  o 736.1754 18.11741 118.0780       8.212181  121.6614       8.336385  -10.96576      36.46502 
1 1 1 4   10  6  o 605.8131 18.78372 84.49007       7.100928  78.22160       7.000867  23.57953       37.82145 
1 1 1 4   10  7  o 247.5197 34.63789 12.36581       5.057287  16.06421       5.296940  -33.81671      71.26904 
1 1 1 4   10  8  o 111.0490 44.86795 2.909037       4.710757  0.6989857E-01  4.849581  17.62760       73.89928 
1 1 1 4   10  9  o 275.2836 27.68317 11.34262       4.374442  25.00272       5.017845  -113.5206      59.32701 
1 1 1 4   10  10 o 314.3155 24.38710 19.84615       4.472360  25.43059       5.008501  -39.24985      50.07165 
1 1 1 4   10  11 o 117.2983 42.17426 3.966436       3.721365  1.610047       4.132890  16.74455       69.10093 
1 1 1 4   10  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   10  13 o 200.2891 41.32603 15.38512       6.883780  7.565156       4.080480  68.47427       81.14545 
1 1 1 4   10  14 o 1063.050 21.35235 279.8127       18.68197  239.2134       11.76662  72.88892       46.41731 
1 1 1 4   10  15 o 348.4458 16.00570 25.41425       3.433622  28.28712       3.467350  -18.90292      32.26556 
1 1 1 4   10  16 o 612.3353 14.35666 79.37528       5.223702  86.56801       5.716092  -26.22418      28.87459 
1 1 1 4   10  17 o 218.9975 20.03472 9.488007       2.679073  11.99680       2.704245  -26.85898      41.41379 
1 1 1 4   10  18 o 218.4048 20.24903 13.01407       3.247660  9.457139       2.376307  34.15161       42.07297 
1 1 1 4   10  19 f 365.8794 22.53049 29.95665       3.598309  0.000000       0.000000  ?              ?        
1 1 1 4   10  20 o 260.4850 27.22616 15.49471       3.064902  0.000000       0.000000  ?              ?        
1 1 1 4   10  21 o 197.0881 20.10043 11.54219       2.580287  6.638936       2.291485  56.87027       42.19868 
1 1 1 4   10  22 o 213.9707 16.89080 10.65534       2.326784  10.05258       2.133301  5.488586       34.71880 
1 1 1 4   10  23 o 213.0566 16.91923 9.751065       2.247929  10.85139       2.188760  -12.63301      35.02826 
1 1 1 4   10  24 o 72.16302 30.50358 0.7835437      1.889058  -0.4990309     3.487487  -9.676376      52.00077 
1 1 1 4   10  25 o 118.9618 25.62349 3.449041       1.878915  3.634629       1.793962  -3.482643      48.14812 
1 1 1 4   10  26 o 50.90796 23.63127 -1.019037      1.772947  -0.4666591     1.805202  -4.486122      40.02486 
1 1 1 4   10  27 o 164.8587 21.94222 7.293430       1.770220  4.857994       3.185369  52.06493       50.97734 
1 1 1 4   10  28 o 172.7638 17.47532 8.152465       1.810371  6.068968       1.886133  31.11975       38.37812 
1 1 1 4   11  0  o 477.0518 37.38198 54.81958       11.55996  50.81826       10.46893  14.48233       78.00677 
1 1 1 4   11  1  o 242.5081 47.06211 14.81034       7.031381  13.92398       6.634453  6.243896       91.23454 
1 1 1 4   11  2  o 493.7976 32.99670 60.00026       10.17014  51.92233       9.932693  37.48203       68.18073 
1 1 1 4   11  3  o 280.7969 53.18404 28.96711       9.086623  10.70089       8.771235  129.8353       98.58623 
1 1 1 4   11  4  o 132.6044 51.63977 3.786642       6.101737  2.374777       6.124049  8.569214       84.68931 
1 1 1 4   11  5  o 308.6481 32.53824 18.62769       6.082481  25.24891       6.191303  -50.76941      68.68224 
1 1 1 4   11  6  o 158.1976 50.36222 3.735736       5.443313  8.479020       5.691129  -38.94843      83.70354 
1 1 1 4   11  7  o 342.0594 27.83228 28.19966       5.791900  24.87960       5.919469  23.50238       57.67575 
1 1 1 4   11  8  o 127.2892 51.25894 5.445991       8.088061  1.168246       5.233890  44.00766       87.68878 
1 1 1 4   11  9  o 407.5861 21.89311 36.39901       5.200455  38.43439       5.894551  -9.100525      44.74462 
1 1 1 4   11  10 o 300.7191 27.64619 21.74574       4.825684  19.31594       5.425961  22.54514       58.65574 
1 1 1 4   11  11 o 343.8828 22.96377 26.99886       4.834132  26.27626       4.907713  5.202698       46.93308 
1 1 1 4   11  12 o 89.19919 39.51811 -2.416532      4.626731  0.6415275      4.091900  -10.74303      66.41627 
1 1 1 4   11  13 o 390.6232 51.21945 36.43629       8.564730  0.000000       0.000000  ?              ?        
1 1 1 4   11  14 o 142.9103 43.98811 1.381666       6.230767  5.747241       3.463022  -16.11026      75.47315 
1 1 1 4   11  15 o 234.9387 26.62299 12.11065       4.105918  12.71892       3.572763  -8.041992      55.83804 
1 1 1 4   11  16 o 183.1240 30.07529 6.712848       3.041460  9.146599       3.632558  -27.89758      60.09713 
1 1 1 4   11  17 o 77.55635 33.16589 -0.8094225E-01 2.802562  0.1805123      2.864764  -3.000999      55.53627 
1 1 1 4   11  18 o 113.2252 37.73151 -0.2148122     3.324256  5.205033       2.922936  -50.98952      59.90179 
1 1 1 4   11  19 o 105.6638 35.39783 -0.4321465     2.983640  4.513002       2.534308  -47.91769      55.99620 
1 1 1 4   11  20 o 173.5997 28.16056 5.056058       3.296256  8.282488       2.661855  -42.43826      57.11057 
1 1 1 4   11  21 o 148.1084 44.54328 5.550568       3.128085  0.000000       0.000000  ?              ?        
1 1 1 4   11  22 o 278.0152 17.02991 15.99203       3.089315  18.60689       2.780707  -23.83255      35.47574 
1 1 1 4   11  23 o 224.6730 18.07446 10.09619       2.520777  12.95996       2.475414  -30.71019      38.00503 
1 1 1 4   11  24 o 96.70770 31.50200 1.227025       2.255927  3.338935       2.090091  -24.81374      51.53128 
1 1 1 4   11  25 o 193.1933 19.19462 8.799295       2.408386  8.788890       2.152891  -3.356506      41.09329 
1 1 1 4   11  26 o 90.50404 30.91272 0.3495131      2.117368  3.939945       2.051540  -41.32973      48.91671 
1 1 1 4   11  27 o 174.2750 19.48468 7.633101       2.123473  7.128566       2.021137  5.171051       42.13123 
1 1 1 4   11  28 o 125.1590 26.39420 4.546359       2.008718  3.927073       1.961320  8.829910       50.34401 
1 1 1 4   12  0  o 202.5640 53.92665 11.52791       6.878819  8.401743       6.912762  24.70917       94.16058 
1 1 1 4   12  1  o 612.2426 22.47669 85.88310       8.548747  81.34122       8.495228  16.97491       45.43528 
1 1 1 4   12  2  o 184.4061 63.29469 13.60514       8.764089  3.156247       8.712295  61.34854       102.6151 
1 1 1 4   12  3  f 253.3765 60.58463 11.69066       9.431396  21.45231       9.355803  -66.93425      107.9035 
1 1 1 4   12  4  o 145.1367 54.49314 -2.026366      6.622200  10.91056       6.668401  -80.16043      86.39847 
1 1 1 4   12  5  o 114.0131 52.19933 2.930621       8.419144  -7.769190      8.203421  40.07560       88.53487 
1 1 1 4   12  6  o 275.4341 50.91722 18.11397       8.502317  19.60161       8.261316  -12.61874      100.6212 
1 1 1 4   12  7  o 205.2932 48.31707 6.483335       6.133907  14.36369       5.969511  -67.62811      85.32692 
1 1 1 4   12  8  o 109.6397 46.10567 0.6792624E-01  4.955090  2.234171       5.784998  -20.02798      76.72392 
1 1 1 4   12  9  o 315.7840 39.05675 23.61541       5.294680  0.000000       0.000000  ?              ?        
1 1 1 4   12  10 o 341.1434 25.42144 25.09363       5.029773  27.97660       5.718141  -16.80301      52.35241 
1 1 1 4   12  11 o 170.3753 43.20853 3.545886       4.360886  11.30963       4.818398  -76.38786      73.70994 
1 1 1 4   12  12 o 592.0076 24.54427 79.16853       8.917559  77.51767       9.072351  6.847229       49.71646 
1 1 1 4   12  13 o 213.2990 32.59267 12.42031       5.206435  9.527022       3.585053  25.29529       67.98759 
1 1 1 4   12  14 o 512.4128 20.93891 64.77139       9.080849  55.90268       5.487128  32.04880       46.48302 
1 1 1 4   12  15 o 77.26436 35.44451 -2.443776      4.374027  -1.390115      3.488014  6.884743       61.28820 
1 1 1 4   12  16 o 168.8564 33.74948 6.300923       3.404959  7.063798       3.417879  -9.191772      64.22821 
1 1 1 4   12  17 o 202.5866 30.17771 7.995632       3.779098  10.81696       3.582435  -32.67206      61.75205 
1 1 1 4   12  18 o 222.5391 39.34757 0.000000       0.000000  11.74153       3.700365  ?              ?        
1 1 1 4   12  19 o 86.83398 40.90062 -3.790048      4.025191  0.000000       0.000000  ?              ?        
1 1 1 4   12  20 o 154.7426 32.41017 5.310639       3.336960  6.006615       2.765367  -9.381699      61.32713 
1 1 1 4   12  21 o 87.30708 34.74120 -2.175278      3.242660  3.185300       2.528335  -35.76446      55.27982 
1 1 1 4   12  22 o 305.6557 28.07805 22.16880       3.722417  0.000000       0.000000  ?              ?        
1 1 1 4   12  23 o 197.0001 23.95933 8.750432       3.230034  9.567172       2.605202  -17.40150      52.57683 
1 1 1 4   12  24 o 173.3189 26.52847 4.210240       2.846224  10.26447       2.684031  -78.87779      53.28289 
1 1 1 4   12  25 o 247.0475 18.15147 17.07413       3.103899  12.48346       2.513217  36.24847       38.08796 
1 1 1 4   12  26 o 108.3198 32.35291 5.014998       2.479342  2.022892       2.221469  35.45977       53.99849 
1 1 1 4   12  27 o 67.09302 28.90480 0.7269107      2.409023  0.4758939      2.008950  5.709724       47.00034 
1 1 1 4   12  28 o 121.2845 30.70942 5.723122       2.514537  3.288374       2.152229  27.48877       54.64423 
1 1 1 4   13  0  o 615.0508 33.68628 84.89830       9.053240  0.000000       0.000000  ?              ?        
1 1 1 4   13  1  o 811.8624 30.43794 147.5212       10.82005  0.000000       0.000000  ?              ?        
1 1 1 4   13  2  o 549.4210 24.98209 62.99032       8.420892  71.86430       8.565037  -36.98358      50.62431 
1 1 1 4   13  3  o 153.1616 56.93245 4.815945       7.103665  4.708440       7.335798  -0.7534027     93.49157 
1 1 1 4   13  4  o 395.9355 29.68782 28.65023       7.190391  42.67884       7.287471  -83.38620      62.59673 
1 1 1 4   13  5  o 319.6095 57.50570 21.75630       10.67149  29.92352       11.32115  -51.49023      114.2217 
1 1 1 4   13  6  o 260.8286 62.75038 15.58700       9.565445  20.31883       10.56666  -29.25533      113.8717 
1 1 1 4   13  7  o 90.44759 42.45414 -4.256402      5.621675  -3.026883      6.567377  -14.62581      73.66278 
1 1 1 4   13  8  o 323.2708 40.04324 19.60981       7.129386  32.32933       8.869280  -82.17889      84.06786 
1 1 1 4   13  9  o 397.7414 33.10473 36.19763       7.519389  36.31953       8.823939  5.426605       69.81513 
1 1 1 4   13  10 o 140.7602 48.83042 1.002719       4.709943  9.655718       5.900642  -75.04054      80.20426 
1 1 1 4   13  11 o 244.8277 40.48807 12.67691       5.648046  15.75058       6.268901  -25.89552      81.22362 
1 1 1 4   13  12 o 334.1225 31.32780 21.43089       6.300619  29.44197       6.540853  -55.90073      65.43458 
1 1 1 4   13  13 o 558.7209 18.97282 73.61379       7.245684  66.00365       6.047816  29.13275       38.50777 
1 1 1 4   13  14 o 601.3236 25.25962 0.000000       0.000000  80.72504       6.647649  ?              ?        
1 1 1 4   13  15 o 510.2823 25.87212 0.000000       0.000000  58.37350       5.771973  ?              ?        
1 1 1 4   13  16 o 434.6726 19.75368 38.54599       5.417922  45.38172       5.212796  -36.94354      40.26922 
1 1 1 4   13  17 o 134.4989 47.52274 3.967615       3.931289  3.977669       7.649906  -23.76480      83.31483 
1 1 1 4   13  18 o 196.7804 35.13010 12.03741       4.167656  6.278903       4.095056  61.90193       67.74164 
1 1 1 4   13  19 o 61.04225 30.68011 0.000000       0.000000  -10.46129      3.658745  ?              ?        
1 1 1 4   13  20 o 122.1504 39.67923 1.465766       3.875051  4.926226       3.126752  -28.49181      64.99567 
1 1 1 4   13  21 o 193.2995 27.46312 8.561047       3.452679  9.034891       2.996528  -9.306091      57.62394 
1 1 1 4   13  22 o 126.1622 36.07455 0.2580455      3.435492  6.383376       2.646546  -61.02402      57.16438 
1 1 1 4   13  23 o 130.5346 35.34141 5.127915       3.396144  4.263182       2.616665  7.901215       62.33354 
1 1 1 4   13  24 o 76.87790 33.05223 -0.3176982     3.126758  1.208574       2.622843  -5.559265      53.86844 
1 1 1 4   13  25 o 77.12175 32.84418 2.563841       3.101763  -0.2274857     2.508090  24.90418       54.07179 
1 1 1 4   13  26 o 53.32168 25.62703 -1.978810      2.623066  -1.506867      2.349819  1.264397       43.54815 
1 1 1 4   13  27 o 130.5059 32.16753 5.309276       2.764305  4.835036       2.440313  1.815819       58.02443 
1 1 1 4   13  28 o 76.97277 31.69691 2.129985       2.626726  1.081207       2.289077  9.427345       50.33019 
1 1 1 4   14  0  o 683.0673 24.42785 106.2542       10.76978  101.2980       9.947034  15.32855       49.32354 
1 1 1 4   14  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   14  2  o 563.6527 24.87277 70.99589       8.743801  70.26032       8.608255  2.765503       50.22654 
1 1 1 4   14  3  o 374.4655 30.97597 34.38444       7.200075  28.84142       7.063984  34.38129       63.77370 
1 1 1 4   14  4  o 393.5464 30.23294 35.74078       7.281691  33.95831       7.367243  10.86899       61.96055 
1 1 1 4   14  5  f 317.4042 36.33311 28.43559       7.101646  17.94503       6.950686  78.02673       76.94173 
1 1 1 4   14  6  o 199.5797 50.66815 8.907192       6.037134  10.55447       6.561678  -14.57217      90.12827 
1 1 1 4   14  7  o 191.7130 52.32607 10.59458       6.069345  6.883393       6.780488  28.25359       90.38728 
1 1 1 4   14  8  o 119.0123 55.12769 -1.604884      9.265665  -7.952708      10.10277  13.37639       93.97118 
1 1 1 4   14  9  o 332.9917 53.35878 25.80555       10.05566  27.62701       11.36348  -6.947144      109.2159 
1 1 1 4   14  10 o 314.9055 33.91811 21.36389       5.821269  24.68937       7.555164  -18.04449      72.02184 
1 1 1 4   14  11 o 140.7905 50.17146 6.458552       5.450050  1.644714       5.596577  34.33676       82.08125 
1 1 1 4   14  12 o 158.5584 50.15635 9.825272       5.525085  1.848447       5.525410  64.15843       81.64593 
1 1 1 4   14  13 o 507.9537 27.52886 62.76705       10.57390  55.39185       7.487556  24.82626       58.47165 
1 1 1 4   14  14 o 89.17397 40.23449 -5.801385      5.404200  1.241652       4.239875  -20.67824      67.83327 
1 1 1 4   14  15 o 101.5649 43.77788 2.959669       7.832011  -0.6499177     3.972155  55.58129       80.38540 
1 1 1 4   14  16 o 90.67675 40.23227 -1.958439      5.126160  0.4555668E-01  4.072257  1.474113       67.95214 
1 1 1 4   14  17 o 93.93956 40.26589 0.9900631      4.299849  -0.5789404     4.095403  12.35686       67.24878 
1 1 1 4   14  18 o 78.76826 37.95020 0.000000       0.000000  -5.346681      3.893693  ?              ?        
1 1 1 4   14  19 o 122.4067 42.02239 2.393495       3.890882  4.439494       3.813611  -17.92908      69.23379 
1 1 1 4   14  20 o 213.4499 31.18952 11.05928       4.281980  10.68011       3.780339  0.3777313      65.04265 
1 1 1 4   14  21 o 256.3982 26.32184 15.12571       4.372035  15.75955       3.919170  -10.44969      56.50090 
1 1 1 4   14  22 o 88.33631 35.98860 -2.787116      3.310486  4.467744       2.932031  -51.77969      56.69061 
1 1 1 4   14  23 o 78.32510 34.07554 4.739063       3.722125  -1.759414      2.702497  53.50863       58.45697 
1 1 1 4   14  24 o 98.64494 37.11178 -1.038286      3.441492  4.956079       2.821077  -45.10074      57.42685 
1 1 1 4   14  25 o 74.50451 32.91550 4.917069       3.497876  -2.052765      2.649591  51.47140       56.00579 
1 1 1 4   14  26 f 75.32702 33.02099 1.384567       3.261770  0.4637581      2.717111  8.976311       53.14004 
1 1 1 4   14  27 f 79.43870 33.14233 2.591658       2.875916  0.8756806      2.582098  13.08408       52.44972 
1 1 1 4   14  28 o 81.03139 33.12628 1.133161       2.940869  2.527957       2.417412  -8.560883      51.57768 
1 1 1 4   15  0  o 299.2039 46.22873 22.18760       8.440076  19.89981       8.174127  16.51767       94.25383 
1 1 1 4   15  1  o 184.7858 59.52430 9.072346       7.800968  6.942644       7.708488  14.77104       99.52376 
1 1 1 4   15  2  o 705.6208 33.57030 0.000000       0.000000  111.9132       10.36050  ?              ?        
1 1 1 4   15  3  o 374.0295 35.02670 27.73324       8.074375  35.54700       7.990865  -49.86209      73.29623 
1 1 1 4   15  4  o 350.6563 42.76650 34.38000       11.56257  25.58545       7.757504  43.76672       92.44853 
1 1 1 4   15  5  o 588.6109 23.23619 70.62561       8.010912  84.92632       9.012277  -53.91272      46.88208 
1 1 1 4   15  6  o 267.9498 40.35388 12.55965       6.020219  22.26714       7.115050  -78.31409      81.32100 
1 1 1 4   15  7  o 137.9353 55.77431 1.720863       6.144076  4.138829       9.937696  -40.54268      96.15083 
1 1 1 4   15  8  o 105.0423 46.72656 -0.3079298     5.981127  -2.266476      6.273896  6.253166       78.93255 
1 1 1 4   15  9  o 310.3763 33.15732 18.41636       5.686357  27.32796       7.124149  -61.75790      68.77408 
1 1 1 4   15  10 o 191.8656 53.26189 8.166087       6.034523  9.951047       7.260625  -17.22035      92.87014 
1 1 1 4   15  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   15  12 o 436.8419 74.04997 0.000000       0.000000  48.85665       13.68269  ?              ?        
1 1 1 4   15  13 o 137.7825 58.21620 -0.2539065     8.197279  3.615565       8.952910  -22.67892      96.40626 
1 1 1 4   15  14 o 134.8177 57.66381 1.162708       6.057970  0.000000       0.000000  ?              ?        
1 1 1 4   15  15 o 139.1076 55.68764 0.000000       0.000000  3.194411       5.153924  ?              ?        
1 1 1 4   15  16 o 278.9706 41.91137 11.98485       8.311080  22.20301       6.201118  -89.37704      87.95177 
1 1 1 4   15  17 o 180.3041 49.74726 4.528665       6.159622  10.83919       5.404266  -50.59857      84.10010 
1 1 1 4   15  18 o 118.7267 56.96624 0.000000       0.000000  -8.410861      8.566772  ?              ?        
1 1 1 4   15  19 o 75.55273 35.77522 -5.119585      4.279323  -0.6694364     4.671880  -23.69421      62.48110 
1 1 1 4   15  20 o 214.5342 32.78360 12.59478       4.266034  9.811679       4.184313  29.13800       67.74393 
1 1 1 4   15  21 o 132.6729 42.91988 9.482697       4.278781  0.9609468      3.818077  76.63947       68.38385 
1 1 1 4   15  22 o 179.2120 36.90953 10.66490       4.175531  6.861996       3.786023  37.52672       70.45049 
1 1 1 4   15  23 o 105.2117 39.69221 -0.3640301     3.906609  5.347036       3.252405  -40.09142      61.88746 
1 1 1 4   15  24 o 82.50611 35.53081 2.148152       3.796078  0.3816009      2.950357  16.33773       57.97173 
1 1 1 4   15  25 o 62.91104 29.93749 -2.720311      3.662792  -0.6179134     2.880686  -1.318306      49.73488 
1 1 1 4   15  26 o 128.6355 48.11946 7.174131       3.656880  0.000000       0.000000  ?              ?        
1 1 1 4   15  27 o 74.52239 34.67741 0.000000       0.000000  0.5259082      2.749660  ?              ?        
1 1 1 4   15  28 o 75.87268 32.95400 3.679207       3.180799  0.5385318E-01  2.654957  22.55699       52.18624 
1 1 1 4   16  0  o 518.8953 30.29963 59.86234       9.616427  61.48388       9.807302  -6.707672      61.77261 
1 1 1 4   16  1  o 233.6477 58.81200 16.36796       8.351475  10.50342       8.691950  42.07626       103.8514 
1 1 1 4   16  2  o 135.7740 57.24577 -0.1702810     8.437510  2.650628       8.053900  -10.11765      94.69362 
1 1 1 4   16  3  o 392.8914 43.30122 24.80429       13.11683  40.76878       8.854214  -115.1537      103.8593 
1 1 1 4   16  4  o 183.4425 57.74576 2.681222       6.743455  15.68062       8.107963  -96.60260      94.60708 
1 1 1 4   16  5  o 133.6120 53.53036 2.650770       6.262564  2.106587       7.347796  -5.694427      88.57767 
1 1 1 4   16  6  o 347.5621 38.02758 27.65011       6.656745  27.76891       11.05629  16.78992       90.16927 
1 1 1 4   16  7  f 150.1705 60.89499 3.002491       6.249816  0.000000       0.000000  ?              ?        
1 1 1 4   16  8  o 482.7079 35.88957 52.99343       7.544584  0.000000       0.000000  ?              ?        
1 1 1 4   16  9  o 109.8146 47.97284 2.576192       5.693968  -4.756917      6.827134  24.13517       79.83553 
1 1 1 4   16  10 o 215.2336 51.05798 14.65589       6.894938  8.248306       6.545515  53.10077       91.40407 
1 1 1 4   16  11 o 175.7982 53.55536 9.971518       6.472659  5.168373       6.264830  37.64009       89.93880 
1 1 1 4   16  12 o 115.5401 48.52731 4.518552       6.399055  -1.578083      5.477069  42.61583       81.17806 
1 1 1 4   16  13 o 217.7333 40.76481 2.680478       6.574329  15.52339       4.565909  -107.9820      74.48758 
1 1 1 4   16  14 o 278.4803 75.31830 21.65901       9.420116  0.000000       0.000000  ?              ?        
1 1 1 4   16  15 o 336.8607 47.99197 25.04330       9.902121  29.85072       9.595490  -35.55103      100.9920 
1 1 1 4   16  16 o 198.4176 65.00439 0.5076889      9.180889  20.10833       9.272297  -113.9502      101.9032 
1 1 1 4   16  17 o 94.09628 47.10680 -24.41357      10.88615  -13.10871      12.53396  -28.83010      85.75455 
1 1 1 4   16  18 o 269.6567 35.32681 19.37319       5.622837  15.18694       5.923451  39.47830       75.21452 
1 1 1 4   16  19 o 98.33001 42.97534 -3.707398      4.988882  4.191581       4.946634  -41.65442      70.89491 
1 1 1 4   16  20 o 273.7099 34.55726 28.79423       6.041575  10.20111       5.474062  152.0037       73.13432 
1 1 1 4   16  21 o 103.1894 43.63324 3.248060       4.705290  0.1776247      4.920173  15.48893       70.19143 
1 1 1 4   16  22 o 95.04548 41.15992 0.2066897E-01  5.287226  2.305912       3.942657  -4.039665      65.85389 
1 1 1 4   16  23 o 85.48733 37.57847 0.2600896      4.243710  1.256159       3.545035  -0.6964874     60.54219 
1 1 1 4   16  24 o 74.47187 34.45695 0.2482240      4.132608  -0.7563314     3.467952  9.001762       56.28460 
1 1 1 4   16  25 o 68.70381 31.84018 2.050002       3.585043  -1.797014      2.959314  22.49908       52.69640 
1 1 1 4   16  26 o 59.47579 28.74715 -3.381397      3.686693  -0.8169438     2.897422  -2.366089      47.60176 
1 1 1 4   16  27 o 83.83640 35.28604 4.412949       3.583732  0.9696048      2.801942  20.87401       55.48397 
1 1 1 4   16  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   17  0  o 199.8391 65.62248 10.78366       9.817191  8.708278       9.032268  14.89609       109.3548 
1 1 1 4   17  1  o 366.2425 53.29102 23.90829       14.62482  35.93695       10.09874  -90.30344      115.6104 
1 1 1 4   17  2  o 97.40592 47.35905 -7.298002      8.974901  -13.04228      9.197913  12.39440       83.79878 
1 1 1 4   17  3  o 459.6932 32.21436 43.11747       8.452588  54.76669       9.996428  -53.32599      66.22071 
1 1 1 4   17  4  o 233.0361 53.94770 12.03437       7.101089  15.26426       8.335140  -24.04568      99.18932 
1 1 1 4   17  5  o 145.1577 56.72249 6.888441       6.757349  -1.171702      8.257943  33.20438       91.84662 
1 1 1 4   17  6  o 167.2021 58.03645 4.079227       6.694799  9.934898       8.256965  -44.93451      96.63181 
1 1 1 4   17  7  o 174.8583 56.75314 6.406942       6.888049  8.336720       7.204439  -14.71785      94.71714 
1 1 1 4   17  8  o 187.1929 55.74399 3.781309       6.525582  15.02004       7.480419  -85.61972      92.26392 
1 1 1 4   17  9  f 301.5680 40.23497 17.11369       6.952045  26.60334       7.798896  -69.45340      83.68964 
1 1 1 4   17  10 o 220.7917 50.61913 15.19521       7.247333  9.593867       6.400439  45.41418       92.55362 
1 1 1 4   17  11 o 259.0499 47.64747 22.23576       7.664798  11.28083       7.115057  86.34850       91.49132 
1 1 1 4   17  12 o 144.6263 52.80040 7.291420       7.112101  2.878781       5.511075  38.20792       87.95116 
1 1 1 4   17  13 o 78.62054 37.82324 -7.991134      7.803698  -4.271927      4.402423  25.19248       69.50526 
1 1 1 4   17  14 o 109.1172 52.46343 -8.684666      7.351665  0.000000       0.000000  ?              ?        
1 1 1 4   17  15 o 120.4635 50.37593 0.6078280      9.474377  1.662881       5.047019  28.29165       87.51298 
1 1 1 4   17  16 o 134.3126 60.51741 -0.7977857     7.516982  0.000000       0.000000  ?              ?        
1 1 1 4   17  17 o 101.2912 44.97931 0.2561422      6.211949  -0.8571122     5.214152  14.04658       75.32825 
1 1 1 4   17  18 o 226.6858 55.20222 14.28866       5.436959  0.000000       0.000000  ?              ?        
1 1 1 4   17  19 o 157.9617 62.23620 9.116269       10.58216  6.500870       7.918685  13.55258       99.06998 
1 1 1 4   17  20 o 168.9159 64.13866 19.24084       10.27893  4.151109       8.502180  61.90761       101.1435 
1 1 1 4   17  21 o 110.1361 51.48704 8.170291       10.02391  -4.052472      7.839680  36.11491       83.61528 
1 1 1 4   17  22 o 122.5156 46.36211 8.243034       4.833692  1.589495       4.828753  41.11798       72.43580 
1 1 1 4   17  23 o 76.91866 36.95015 -0.6641572     5.550737  -3.169750      4.794859  11.83235       60.91388 
1 1 1 4   17  24 o 112.3026 43.59158 7.621392       4.584608  2.203220       4.139234  31.33588       67.68748 
1 1 1 4   17  25 o 74.23335 34.94480 -0.2622655     4.405723  0.9616227E-01  3.924649  0.9295578      55.39476 
1 1 1 4   17  26 o 83.99731 36.62033 2.014627       4.187160  2.369856       3.188981  -0.3465118     56.20818 
1 1 1 4   17  27 o 67.86405 31.92323 2.223237       4.038786  -0.9776976     3.057528  15.54372       51.18246 
1 1 1 4   18  0  o 170.6638 66.46416 9.177880       10.37285  3.039016       9.897227  30.70546       108.1177 
1 1 1 4   18  1  f 265.8518 60.36314 22.66722       9.450265  12.43172       10.02865  70.68156       108.9903 
1 1 1 4   18  2  x ?        ?        -40.32822      9.445774  -45.77404      10.25283  ?              ?        
1 1 1 4   18  3  o 166.6593 62.44026 7.353990       8.092680  3.432794       9.506935  13.36906       102.0918 
1 1 1 4   18  4  o 181.9773 66.37970 7.100396       7.907109  8.348372       13.98385  -30.59299      113.8316 
1 1 1 4   18  5  o 304.4464 56.52367 17.61518       8.314659  39.73026       14.98425  -114.7907      116.2007 
1 1 1 4   18  6  o 99.54675 47.35698 -8.611323      7.840261  -3.468076      8.171161  -18.94337      82.52168 
1 1 1 4   18  7  o 143.5291 61.92891 1.075912       7.103278  0.000000       0.000000  ?              ?        
1 1 1 4   18  8  o 218.1840 56.25349 6.739055       7.279665  18.57455       8.112500  -88.09607      96.60590 
1 1 1 4   18  9  o 77.41534 38.28385 -10.87811      6.713156  -9.215719      6.836885  -5.428719      68.91038 
1 1 1 4   18  10 o 202.9421 57.30646 9.180766       8.116632  11.42755       7.053358  -15.03357      98.62177 
1 1 1 4   18  11 o 230.0018 58.20798 16.82483       8.773009  10.83364       7.914271  42.60997       103.3934 
1 1 1 4   18  12 o 209.7574 54.78392 12.79735       8.215409  10.08851       6.493847  20.54208       97.64133 
1 1 1 4   18  13 o 144.8759 52.79057 6.680593       10.07257  4.092914       4.825181  41.94568       94.17059 
1 1 1 4   18  14 o 147.4709 63.12428 0.000000       0.000000  2.272710       7.269767  ?              ?        
1 1 1 4   18  15 o 137.9219 53.76091 -3.407057      10.10277  5.822197       5.292757  -14.28085      88.09400 
1 1 1 4   18  16 f 123.3679 52.17786 -1.644288      9.888278  3.023432       5.587692  6.833771       86.96136 
1 1 1 4   18  17 o 135.2417 50.89416 4.266511       6.570243  4.484900       5.254853  4.162598       82.87558 
1 1 1 4   18  18 o 135.0432 49.38605 6.985351       5.609777  2.917542       5.199780  28.50562       79.91930 
1 1 1 4   18  19 f 126.4650 46.63016 3.018355       5.030484  5.429133       4.640738  -15.47683      74.85199 
1 1 1 4   18  20 o 124.2511 46.30173 6.285028       4.901369  2.820421       4.665601  23.49535       73.95992 
1 1 1 4   18  21 o 79.72931 37.05383 -2.519758      4.191450  1.599182       4.686201  -20.10976      61.17402 
1 1 1 4   18  22 o 98.70086 42.43219 4.597802       5.073283  0.6297025      4.371106  21.50023       67.38059 
1 1 1 4   18  23 o 88.31766 43.59240 -11.04887      9.761003  2.847886       7.828939  -15.32420      68.34226 
1 1 1 4   18  24 o 90.67919 44.30416 0.4098224      9.575442  1.512614       7.324201  0.6216202      66.69529 
1 1 1 4   18  25 o 99.61982 47.56290 3.301195       9.512211  6.686310       7.345005  -6.381874      68.48183 
1 1 1 4   18  26 o 75.97141 38.24611 -2.826929      9.346784  -1.467519      7.415446  0.9411163      57.86329 
1 1 1 4   18  27 o 60.00626 29.77361 -2.578354      4.338511  -2.277937      4.121549  0.3143768      47.61777 
1 1 1 4   19  0  o 205.3068 65.91498 15.33936       8.788301  6.305694       10.45588  49.07080       107.2755 
1 1 1 4   19  1  o 180.0659 65.06549 6.772906       8.733397  9.872247       10.04990  -20.05663      106.4123 
1 1 1 4   19  2  o 241.0513 75.57223 15.85830       11.33198  17.12006       14.33007  -5.629700      126.7619 
1 1 1 4   19  3  o 408.8130 48.39477 30.39190       9.751330  72.21750       17.42945  -172.0937      105.1176 
1 1 1 4   19  4  o 193.1231 65.41608 15.60655       8.790133  1.286015       9.979495  75.75142       104.0721 
1 1 1 4   19  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   19  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   19  7  o 156.1207 59.81944 -0.6781902E-01 7.815233  10.56207       8.432075  -61.62637      97.22118 
1 1 1 4   19  8  o 171.0765 60.45670 12.17591       7.804064  0.9298018      8.218274  64.90186       96.92484 
1 1 1 4   19  9  o 111.7726 50.08207 1.266025       7.309515  -3.693049      7.035287  23.25967       84.32013 
1 1 1 4   19  10 o 99.78716 48.70912 0.000000       0.000000  -10.98618      6.984978  ?              ?        
1 1 1 4   19  11 o 111.6187 52.03877 -16.49062      8.790747  8.405241       8.856805  -84.34271      90.26589 
1 1 1 4   19  12 o 88.14086 42.71535 -3.997400      8.518306  -9.119594      6.396212  34.12475       77.31297 
1 1 1 4   19  13 f 147.2219 56.30104 0.000000       0.000000  4.733632       5.070943  ?              ?        
1 1 1 4   19  14 f 260.1525 46.05147 20.08792       8.339186  15.30271       6.371218  25.40836       93.89135 
1 1 1 4   19  15 o 101.5187 45.72545 0.3357054E-01  7.259889  -1.201818      5.312276  20.65718       77.41229 
1 1 1 4   19  16 o 117.8335 54.91126 2.652786       10.28073  -5.946958      9.392821  27.69295       90.88467 
1 1 1 4   19  17 o 143.7154 61.01315 5.195298       6.693851  0.000000       0.000000  ?              ?        
1 1 1 4   19  18 o 152.6561 60.47388 7.734039       6.015821  0.000000       0.000000  ?              ?        
1 1 1 4   19  19 o 153.1028 49.35299 9.952394       5.494301  5.086088       5.179698  34.38680       80.48559 
1 1 1 4   19  20 o 83.42673 38.73036 -3.309788      4.714542  2.527437       4.905163  -23.69070      63.45660 
1 1 1 4   19  21 o 153.5854 49.51513 8.756135       4.980351  8.101983       5.855229  9.690323       79.47786 
1 1 1 4   19  22 o 100.7954 42.62025 4.924247       4.469441  1.107081       4.717190  18.28787       65.90932 
1 1 1 4   19  23 o 68.19170 33.18295 -0.6390609     4.523166  -3.751276      4.448694  9.000542       54.24390 
1 1 1 4   19  24 o 63.08979 31.29126 -4.852972      4.987610  -2.489502      4.373020  -1.745720      51.13298 
1 1 1 4   19  25 o 76.80907 36.14730 0.2504059      4.858330  1.649111       4.096609  -2.508179      55.38150 
1 1 1 4   19  26 o 80.91092 36.61540 0.7737061      4.213069  3.752719       3.716267  -10.82349      54.84016 
1 1 1 4   19  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   20  0  o 319.4282 58.81427 30.94456       11.42842  25.38199       11.03138  32.66202       118.5164 
1 1 1 4   20  1  o 310.6237 69.57586 28.24106       9.243763  0.000000       0.000000  ?              ?        
1 1 1 4   20  2  o 211.9147 81.42199 14.02843       10.63929  0.000000       0.000000  ?              ?        
1 1 1 4   20  3  o 143.3161 64.32204 0.5944407      10.63767  -0.2693011     13.68652  -11.30968      105.7194 
1 1 1 4   20  4  o 126.4331 56.03271 2.684739       8.649083  -2.767799      8.796738  19.49268       92.42982 
1 1 1 4   20  5  o 129.7777 56.72611 5.782652       8.406538  -5.053847      8.932007  39.20680       93.02461 
1 1 1 4   20  6  o 156.3756 60.79446 3.970840       8.153008  6.773617       8.807102  -16.99290      98.78503 
1 1 1 4   20  7  o 135.9942 57.40554 5.606011       8.114659  -1.592656      8.500170  29.26283       93.54484 
1 1 1 4   20  8  o 166.4788 61.52087 5.757636       9.085175  7.394988       7.857245  -4.416931      100.0268 
1 1 1 4   20  9  o 229.6314 55.81514 14.03890       8.850191  13.71425       7.159690  -1.939713      101.5004 
1 1 1 4   20  10 o 203.5372 59.59959 3.977798       7.862397  19.01363       8.155578  -100.2203      96.64310 
1 1 1 4   20  11 f 178.9265 62.01332 6.289492       8.672458  10.71031       8.142967  -24.23305      100.7634 
1 1 1 4   20  12 o 122.5840 51.83562 11.71338       8.544748  -2.717083      5.801028  88.06991       89.33748 
1 1 1 4   20  13 o 149.0284 56.66434 0.000000       0.000000  5.499561       5.117758  ?              ?        
1 1 1 4   20  14 o 119.1570 50.52810 -7.401289      7.985962  6.594229       5.594084  -45.32085      79.88754 
1 1 1 4   20  15 o 126.3168 50.82862 -0.4721898     7.310743  5.691275       5.349374  -22.03982      80.88931 
1 1 1 4   20  16 o 104.7168 47.33147 0.2508920      10.21165  0.6418717E-01  5.209351  25.51303       80.87753 
1 1 1 4   20  17 o 100.2927 45.01643 -2.423806      6.692533  2.258754       5.217626  -9.754326      72.70747 
1 1 1 4   20  18 o 115.2057 51.58669 0.000000       0.000000  2.608569       5.368529  ?              ?        
1 1 1 4   20  19 o 81.99727 38.46214 -3.281630      4.788193  1.764880       5.114111  -20.04127      63.15231 
1 1 1 4   20  20 o 83.41665 40.90699 -4.192653      5.760105  -2.876605      10.96640  -20.01675      68.65540 
1 1 1 4   20  21 o 72.79149 35.16012 -0.9190493     4.785240  -3.510353      4.814748  7.331886       57.63437 
1 1 1 4   20  22 o 101.3181 43.12334 4.254836       4.615808  3.255424       4.896111  4.447723       65.41473 
1 1 1 4   20  23 o 93.29910 41.35394 3.395594       4.550022  3.428756       4.984339  -0.4972076E-01 61.94316 
1 1 1 4   20  24 o 97.91238 42.14935 3.127627       4.608911  5.640196       4.656845  -9.956696      62.39103 
1 1 1 4   20  25 o 65.13415 32.15719 -4.166943      4.929073  0.6424966      4.517674  -8.286438      50.53473 
1 1 1 4   20  26 o 67.02116 32.45271 2.026464       4.368163  -1.253506      3.966148  9.030312       49.99088 
1 1 1 4   21  0  o 164.0898 73.49057 8.458386       10.90124  0.000000       0.000000  ?              ?        
1 1 1 4   21  1  o 193.4229 80.45738 14.54060       11.27428  0.000000       0.000000  ?              ?        
1 1 1 4   21  2  o 110.5562 53.59224 -8.028263      10.57745  -7.364715      12.46386  -10.67146      90.22829 
1 1 1 4   21  3  o 124.7647 57.72361 -4.328961      10.15528  1.755168       10.97505  -20.20352      94.84868 
1 1 1 4   21  4  o 121.7513 54.58036 -0.4050689     7.977194  0.9129761      9.205152  -11.33472      89.56845 
1 1 1 4   21  5  o 126.8042 55.84352 0.1597304      7.962222  2.384099       9.247607  -14.96945      91.36098 
1 1 1 4   21  6  o 145.0480 59.29662 10.11304       8.080714  -2.611078      8.903287  52.74467       94.20035 
1 1 1 4   21  7  o 171.3464 64.42247 3.998363       8.568579  13.82116       10.24259  -50.14809      104.2727 
1 1 1 4   21  8  o 156.6837 60.88271 5.055343       8.455835  7.217179       8.509050  -10.61749      97.68284 
1 1 1 4   21  9  o 141.8454 58.23172 4.735107       8.333209  3.487663       8.081130  6.613037       93.64979 
1 1 1 4   21  10 f 312.3667 51.90385 27.76338       10.56486  24.72492       9.024994  5.258728       108.8552 
1 1 1 4   21  11 o 169.1325 60.50814 8.856749       9.119876  7.885148       7.269926  6.796814       98.07477 
1 1 1 4   21  12 o 174.3058 58.89850 6.370969       10.19214  10.06518       6.280936  -18.64719      95.87165 
1 1 1 4   21  13 o 134.5445 55.50838 0.000000       0.000000  4.210780       5.305607  ?              ?        
1 1 1 4   21  14 o 98.63234 45.41052 -12.74767      7.737082  5.163533       5.592415  -44.86626      73.85069 
1 1 1 4   21  15 o 83.75675 40.18864 -3.168164      7.437035  -3.917392      5.205281  18.18851       69.01857 
1 1 1 4   21  16 f 101.8802 46.60637 6.008886       10.61440  -1.127266      5.202007  40.08314       80.99843 
1 1 1 4   21  17 o 96.41290 44.32376 -2.179886      6.939335  1.899509       5.470424  -6.786537      70.78938 
1 1 1 4   21  18 o 98.91499 44.80787 4.314291       6.731367  0.2689276E-01  5.345614  18.70464       71.17315 
1 1 1 4   21  19 o 98.46072 43.40165 3.461490       5.182210  0.9874242      5.149158  10.41071       67.88588 
1 1 1 4   21  20 o 89.22539 41.04483 1.446184       5.162977  0.7316796      5.281220  2.066231       64.24314 
1 1 1 4   21  21 o 111.7503 46.79527 7.595270       5.633105  3.660505       5.277981  15.31398       69.93255 
1 1 1 4   21  22 o 110.8647 46.65174 1.842944       4.940531  13.43378       6.171977  -39.36454      70.15911 
1 1 1 4   21  23 o 71.89922 34.85244 -0.1822070     4.737419  -1.109980      4.913068  1.684135       54.51221 
1 1 1 4   21  24 o 72.10856 34.90051 -2.468167      4.672376  3.833294       4.915058  -14.96667      53.72894 
1 1 1 4   21  25 o 72.82300 36.23917 -0.4603895     5.365924  3.138316       8.631605  -6.129456      54.21420 
1 1 1 4   22  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   22  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   22  2  o 124.6331 58.07901 -7.699197      10.40755  10.48332       11.63521  -46.49786      94.43268 
1 1 1 4   22  3  o 140.1109 62.29225 2.618430       10.45505  6.557118       11.32839  -12.47063      97.34399 
1 1 1 4   22  4  o 149.6421 64.37234 3.724503       10.11938  8.949762       11.61699  -18.47446      100.8781 
1 1 1 4   22  5  o 121.9877 56.60962 7.356066       9.879744  -10.12245      10.67446  42.04357       92.03699 
1 1 1 4   22  6  o 117.6242 54.14250 1.521212       7.935407  -4.590528      11.01251  2.652771       88.02639 
1 1 1 4   22  7  o 140.2384 57.02823 4.853580       7.302674  4.905501       8.358374  -3.206573      90.80979 
1 1 1 4   22  8  o 115.5065 51.83505 4.007230       7.895608  -2.470652      7.539830  25.04102       84.38504 
1 1 1 4   22  9  o 97.15875 46.26317 -8.200038      7.591837  0.8336898      7.752031  -26.34074      77.96501 
1 1 1 4   22  10 o 122.4717 53.51224 4.349161       8.176537  0.6103071      7.294293  17.75052       86.02216 
1 1 1 4   22  11 o 89.78406 42.88863 -3.334978      7.964687  -3.877671      5.897741  15.70179       72.97411 
1 1 1 4   22  12 o 84.46553 41.24658 -9.873461      10.93996  -5.083896      5.654273  22.42993       72.88194 
1 1 1 4   22  13 o 129.1097 54.15611 3.068935       12.23715  4.714315       5.706574  7.490753       87.62872 
1 1 1 4   22  14 o 102.5059 46.58880 3.286101       8.046175  -0.6740332     5.555423  24.02695       76.68058 
1 1 1 4   22  15 o 88.43723 43.07846 0.000000       0.000000  -4.192492      5.383061  ?              ?        
1 1 1 4   22  16 o 108.4088 48.57235 7.209270       11.04200  1.921142       5.285147  20.71200       78.46908 
1 1 1 4   22  17 o 121.2508 50.53112 3.797115       7.348977  6.386903       5.609922  -10.47822      76.73238 
1 1 1 4   22  18 o 94.44313 44.06883 -4.714230      7.174745  4.534736       5.756252  -21.18990      68.84359 
1 1 1 4   22  19 o 85.25189 39.99207 0.9805636      5.381801  -0.1716804     5.311039  3.745377       62.82450 
1 1 1 4   22  20 o 87.18124 40.40305 0.2689155      4.851111  3.393403       5.628774  -11.20314      62.49945 
1 1 1 4   22  21 o 80.83542 38.80942 2.785357       5.203545  -2.037648      6.215314  8.860107       59.26476 
1 1 1 4   22  22 o 99.46178 44.74509 5.548083       5.619035  5.467626       5.968653  0.8787766      64.37372 
1 1 1 4   22  23 o 72.96469 35.33652 -0.9325959     4.659965  2.691698       5.249938  -8.894142      53.88968 
1 1 1 4   22  24 o 69.72804 34.16472 -4.393889      4.655571  6.737547       5.426888  -23.07834      53.43190 
1 1 1 4   22  25 o 60.61992 30.37060 -0.1259547     4.879273  -3.789288      4.869334  5.580238       47.09333 
1 1 1 4   23  0  o 141.5703 63.62517 -2.141682      11.15105  18.77263       12.25995  -49.01229      97.84657 
1 1 1 4   23  1  o 137.3586 61.96380 9.521606       10.82815  1.402549       11.57555  18.56459       94.43709 
1 1 1 4   23  2  o 112.6217 54.50811 -7.827500      11.10446  2.403237       12.35749  -20.81628      87.80312 
1 1 1 4   23  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   23  4  o 157.2696 76.32122 11.05361       16.47470  0.000000       0.000000  ?              ?        
1 1 1 4   23  5  o 112.3871 53.76237 -1.604259      9.782539  -2.526217      11.69982  -4.053741      85.99647 
1 1 1 4   23  6  o 111.7392 51.88525 -4.707920      8.489594  5.712590       8.786064  -29.15220      83.35407 
1 1 1 4   23  7  o 116.7578 52.95232 1.041869       8.571539  2.661064       8.047410  -3.275902      83.47414 
1 1 1 4   23  8  o 137.3816 57.89177 7.422514       8.815141  4.770653       8.071171  10.18095       89.57021 
1 1 1 4   23  9  o 142.9819 59.15940 11.55730       9.067704  3.445771       8.122249  30.19595       91.61304 
1 1 1 4   23  10 o 128.6865 56.78255 0.5020031      9.159432  8.301450       8.593334  -22.84157      87.59301 
1 1 1 4   23  11 o 110.6569 49.77400 0.6619845      8.936676  2.681679       6.139636  2.018204       78.74434 
1 1 1 4   23  12 o 95.61884 45.55262 0.9025629      12.94313  -2.044504      5.772655  27.22548       77.43553 
1 1 1 4   23  13 o 116.9265 52.54076 -1.302289      15.03000  4.700005       6.062901  -0.7959213     81.65058 
1 1 1 4   23  14 o 123.7415 52.51114 9.510280       9.104759  3.893023       5.905767  18.18886       81.69378 
1 1 1 4   23  15 o 97.47640 46.06714 -5.808585      11.31523  1.828210       5.833371  -0.1679764     72.76920 
1 1 1 4   23  16 o 91.58817 43.67828 -8.044179      10.93626  1.355852       5.443907  -0.9750137     69.31013 
1 1 1 4   23  17 o 91.36766 43.15081 -6.729554      7.307330  5.294868       5.783340  -25.69154      67.35916 
1 1 1 4   23  18 o 104.6590 47.29468 2.952683       7.371688  5.506819       5.950314  -7.234825      70.20300 
1 1 1 4   23  19 o 84.62168 40.32535 1.001484       6.339819  0.9897022      5.461212  1.655991       61.78954 
1 1 1 4   23  20 o 90.34473 41.57202 3.467729       5.205132  3.215830       5.533099  0.7441406      61.57632 
1 1 1 4   23  21 o 84.30914 40.98874 4.027085       5.331549  -5.753537      11.14648  7.850044       60.49804 
1 1 1 4   23  22 f 84.79839 40.44563 3.437925       5.681968  4.595590       6.176569  -1.917313      58.24796 
1 1 1 4   23  23 o 68.05034 33.91424 -3.229588      5.519819  2.233439       5.969208  -8.504318      51.66585 
1 1 1 4   23  24 o 72.66561 35.72150 1.039248       5.532549  3.864333       5.682400  -4.320206      51.83301 
1 1 1 4   24  0  o 116.9859 55.99374 -7.045171      10.96404  11.52535       12.23602  -33.55311      87.94091 
1 1 1 4   24  1  o 132.4325 60.88202 4.281325       11.03991  9.812910       11.93678  -11.00703      90.81355 
1 1 1 4   24  2  o 121.6623 57.45710 2.343721       10.84242  4.749963       11.98240  -5.377815      87.24961 
1 1 1 4   24  3  o 101.0196 49.59350 -4.025535      10.21510  -5.299119      11.23932  -0.9806747     79.24943 
1 1 1 4   24  4  o 108.8219 51.91244 -1.855753      8.186769  3.148435       12.78755  -19.18828      83.27212 
1 1 1 4   24  5  o 104.0530 49.98513 -7.108393      9.285308  3.840941       9.500010  -22.72544      80.20390 
1 1 1 4   24  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   24  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   24  8  o 111.3691 54.57559 -2.866291      9.026718  0.000000       0.000000  ?              ?        
1 1 1 4   24  9  o 115.9363 52.63045 11.39048       8.783453  -3.664929      7.753810  46.05511       83.76098 
1 1 1 4   24  10 o 170.8145 59.11718 10.68062       8.529666  12.16892       6.962977  -14.83904      91.63741 
1 1 1 4   24  11 o 86.51263 42.16802 -6.148759      9.811711  -3.007163      6.101076  9.848900       69.72089 
1 1 1 4   24  12 o 99.20697 47.03909 12.59469       14.03389  -2.321201      5.966553  38.98302       80.42427 
1 1 1 4   24  13 o 87.27697 43.15598 -3.968681      14.22497  -5.324463      6.726470  21.13746       72.11360 
1 1 1 4   24  14 o 97.90364 46.96700 -2.507523      11.17914  1.538420       6.812808  1.133720       72.81332 
1 1 1 4   24  15 o 73.04924 36.69165 -19.77662      11.92343  -4.920652      5.766155  6.417290       61.03349 
1 1 1 4   24  16 o 79.29535 39.15143 3.845006       11.37909  -4.752454      5.483387  24.77210       65.39890 
1 1 1 4   24  17 o 76.81724 37.91240 -0.4278885     7.622241  -3.733904      5.799934  10.76031       60.41725 
1 1 1 4   24  18 o 85.27467 41.08749 2.212578       7.340044  1.104598       5.831157  3.664772       61.96177 
1 1 1 4   24  19 f 66.39779 33.38953 -3.481989      6.531607  -5.819688      5.863605  5.340363       53.40451 
1 1 1 4   24  20 o 74.63459 36.28094 2.408768       5.234746  -2.234644      5.419863  9.399063       55.67473 
1 1 1 4   24  21 o 72.47194 35.59385 -0.7983868     5.498246  2.260923       5.553213  -5.338676      53.39628 
1 1 1 4   24  22 o 80.39801 38.58277 6.048479       5.413301  1.253985       5.726340  9.340179       55.44861 
1 1 1 4   24  23 o 66.64649 33.59752 1.225454       5.404578  -3.743860      8.542820  2.077271       49.74588 
1 1 1 4   25  0  o 106.2124 52.19187 3.755027       11.30369  -7.291150      12.67102  11.79630       80.25390 
1 1 1 4   25  1  o 125.0299 58.59520 -0.8976734     11.05904  16.43204       11.83915  -29.50890      87.08448 
1 1 1 4   25  2  o 101.1155 49.75324 -0.8966042     10.67236  -5.135406      11.26678  4.548798       77.74946 
1 1 1 4   25  3  o 144.7426 64.40685 5.376282       10.38524  22.67351       13.50050  -29.40613      94.38795 
1 1 1 4   25  4  o 105.4856 49.87197 -0.2413808     8.338002  3.498683       8.909824  -9.000206      76.98798 
1 1 1 4   25  5  o 111.7621 51.90829 7.250006       8.924501  0.9063497E-02  8.398679  17.18504       79.21649 
1 1 1 4   25  6  o 85.66744 42.39513 -11.92019      8.467658  0.7078183      8.258995  -19.86909      69.43777 
1 1 1 4   25  7  o 121.2798 54.58448 4.932336       8.480337  6.611131       8.769109  -4.301819      81.58012 
1 1 1 4   25  8  o 110.5213 51.72025 -2.585413      8.970846  8.639098       8.734164  -24.18253      79.02171 
1 1 1 4   25  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   25  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   25  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   25  12 o 93.23364 45.02525 2.883386       15.32994  -0.3746323     5.965077  15.31377       71.77616 
1 1 1 4   25  13 o 87.67632 43.34110 1.860432       13.40440  -3.376262      6.875365  15.78249       68.92574 
1 1 1 4   25  14 o 102.8311 48.98285 3.617456       11.73398  4.880965       7.128470  -1.862198      71.88023 
1 1 1 4   25  15 o 81.10793 41.03739 0.000000       0.000000  -5.839623      7.189687  ?              ?        
1 1 1 4   25  16 o 76.04725 38.04752 -17.14364      12.09429  0.7328376E-01  5.928758  -3.833603      59.14504 
1 1 1 4   25  17 f 95.03766 44.51290 7.427590       7.727457  3.171012       5.826392  7.216301       64.82740 
1 1 1 4   25  18 o 76.52426 38.54772 0.000000       0.000000  -2.602560      5.949654  ?              ?        
1 1 1 4   25  19 o 72.82068 36.27740 0.8739690      6.946626  -1.745617      6.182093  4.457878       54.89138 
1 1 1 4   25  20 o 68.97867 34.16398 0.4803293E-02  5.431486  -0.4007079     5.510416  0.5314026      51.64465 
1 1 1 4   25  21 o 72.22250 35.57042 3.938189       5.753497  -0.4643952     5.542357  6.924362       52.38982 
1 1 1 4   25  22 o 72.53197 35.67425 0.4152477      5.351020  6.005058       5.921505  -8.028870      51.47236 
1 1 1 4   26  1  o 103.5410 52.14968 -2.729941      10.86877  0.000000       0.000000  ?              ?        
1 1 1 4   26  2  o 86.45266 43.32344 -14.55521      9.863589  0.8210895      10.03374  -18.49252      69.91984 
1 1 1 4   26  3  o 96.00597 47.09212 0.8955336      9.929016  -3.083984      9.257027  6.969322       72.84688 
1 1 1 4   26  4  o 79.55694 39.92800 -10.62245      8.719934  -4.666588      8.495748  -6.809517      64.76470 
1 1 1 4   26  5  o 105.0451 49.86594 5.672922       8.933197  0.2683731      8.628636  10.64964       75.29346 
1 1 1 4   26  6  o 102.5934 49.13933 -0.6386114     9.029798  4.243366       8.828957  -8.617706      74.65809 
1 1 1 4   26  7  o 132.4083 58.05304 11.18898       9.221953  8.890247       9.038003  5.176125       83.19112 
1 1 1 4   26  8  o 108.4485 51.09585 7.720738       9.864901  2.540385       8.164880  9.750786       75.87963 
1 1 1 4   26  9  f 91.05354 44.00457 3.291948       8.815845  -1.547808      6.699122  12.54035       68.41048 
1 1 1 4   26  10 o 88.13173 42.79350 4.665689       9.545749  -2.228631      6.198694  17.17014       67.41644 
1 1 1 4   26  11 o 110.9206 51.11623 6.801059       12.30176  6.856929       6.521732  -5.192215      73.63609 
1 1 1 4   26  12 o 84.67420 41.77709 2.225673       15.59055  -1.533560      5.987587  13.11797       65.71932 
1 1 1 4   26  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   26  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   26  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   26  16 o 80.44925 41.18419 0.6247137      13.14831  -8.585648      12.53837  4.751862       61.19423 
1 1 1 4   26  17 f 79.01678 39.66370 1.894025       10.65869  1.064962       7.290662  1.772980       58.10032 
1 1 1 4   26  18 o 81.75230 40.91528 3.919342       10.99880  4.878500       7.470123  -1.796822      58.04850 
1 1 1 4   26  19 o 70.83970 35.96510 -0.2141322     9.277454  -1.576887      7.518676  2.115166       53.26103 
1 1 1 4   26  20 o 62.73186 31.75600 2.812610       6.685112  -6.157999      5.705278  10.62361       48.80499 
1 1 1 4   27  4  o 93.51313 46.03983 -0.4895023     9.524141  0.5602522      9.336390  -1.169304      69.73737 
1 1 1 4   27  5  o 101.2375 48.78429 0.2226232      9.231477  6.697514       8.990779  -10.10624      72.24741 
1 1 1 4   27  6  o 103.3616 49.72395 -2.039872      9.213381  11.51919       9.534230  -21.02954      73.66856 
1 1 1 4   27  7  o 124.5117 56.22581 14.55019       10.17023  8.737434       8.518276  7.014832       78.38320 
1 1 1 4   27  8  o 94.74354 45.87774 0.6847968      9.705185  3.930431       7.369989  -3.705185      67.97207 
1 1 1 4   27  9  o 88.67151 43.12810 0.9401051      9.065472  1.551888       6.608748  1.418854       64.91988 
1 1 1 4   27  10 o 85.05125 41.84359 0.4827058E-01  11.46670  0.3958624      6.230691  4.721764       63.60035 
1 1 1 4   27  11 o 105.7043 49.91424 17.79817       14.66588  6.326843       6.659618  1.916481       70.24074 
1 1 1 4   27  12 o 84.75068 42.17767 16.83625       14.39755  -2.491127      6.838806  16.78794       64.14363 
1 1 1 4   27  13 o 82.87795 41.25795 6.439707       12.71935  -0.1692843     6.701487  7.597771       61.44062 
1 1 1 4   27  14 o 87.85442 43.48087 3.244494       11.78259  5.371670       7.329479  -3.167137      61.99594 
1 1 1 4   27  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   27  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   27  17 o 72.73936 36.91919 -6.329266      12.18887  2.008027       7.085284  -2.669662      54.14265 
1 1 1 4   27  18 f 78.36949 40.03372 6.129664       11.85823  10.44757       11.24761  -2.170326      55.45079 
1 1 1 4   28  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 4   28  8  o 78.75922 39.97591 0.000000       0.000000  -5.395353      7.185929  ?              ?        
1 1 1 4   28  9  o 80.03838 39.93114 -6.202825      10.50996  1.138232       6.754381  -3.071259      60.40071 
1 1 1 4   28  10 o 86.00037 42.54469 0.5201207      13.54031  2.870389       6.602961  -0.3234482     62.36678 
1 1 1 4   28  11 o 94.32692 45.93454 13.71073       14.83214  5.486506       6.703591  0.4105835      64.62536 
1 1 1 4   28  12 o 71.28734 36.30235 3.250118       12.45129  -8.330493      7.290737  12.84194       56.51384 
1 1 1 4   28  13 o 78.33850 39.48943 -6.926811      12.85331  3.623122       7.234972  -4.857811      57.69741 
1 1 1 4   28  14 o 77.05473 38.82961 4.386630       11.84752  0.6682930      7.065549  3.369415       56.58414 
1 1 1 4   28  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   -25 0  o 106.7772 47.50582 7.085755       6.447556  3.655098       6.220009  10.03928       69.99629 
1 1 1 5   -24 0  o 75.63810 36.86014 -2.443843      5.639376  -2.370203      5.543438  0.2659836      59.45715 
1 1 1 5   -24 1  o 110.5087 47.20560 3.354543       5.695500  6.089171       5.761337  -10.71925      71.32687 
1 1 1 5   -24 2  o 93.54830 43.19074 1.512283       5.872214  1.771372       5.841346  -0.7203979     66.79400 
1 1 1 5   -24 3  o 79.01348 38.34790 1.046589       6.106619  -4.789075      5.686874  15.64671       62.14603 
1 1 1 5   -23 0  o 107.4817 46.20412 2.388751       5.465090  4.843448       5.643386  -10.48448      71.26816 
1 1 1 5   -23 1  f 94.04923 43.08098 -2.750696      5.412454  5.595302       5.966695  -31.42670      69.17504 
1 1 1 5   -23 2  o 122.8730 49.32796 6.004963       5.734541  5.133866       5.737226  4.134682       75.56116 
1 1 1 5   -23 3  f 130.2485 51.75188 10.11938       6.185455  3.721468       6.312937  28.73727       78.25855 
1 1 1 5   -23 4  o 119.2702 50.03386 12.92217       6.276367  -2.138742      6.212117  63.48995       76.98678 
1 1 1 5   -23 5  o 96.67598 44.70044 -7.419466      6.053946  11.81299       6.594722  -64.54263      73.41206 
1 1 1 5   -22 0  o 145.6471 49.16288 3.846136       5.160213  10.77139       5.384268  -46.11562      78.22357 
1 1 1 5   -22 1  o 120.1376 48.78120 3.964576       5.413919  5.344640       5.990953  -7.221069      76.01930 
1 1 1 5   -22 2  o 78.22218 37.67824 1.798592       5.420039  -7.318528      5.420613  26.90186       63.25395 
1 1 1 5   -22 3  o 82.96073 39.42138 -4.327384      5.430178  1.146242       5.598130  -18.02420      64.80882 
1 1 1 5   -22 4  o 274.1962 59.61108 27.26239       6.964588  0.000000       0.000000  ?              ?        
1 1 1 5   -22 5  o 82.66399 39.68941 -5.433960      5.709828  1.449917       6.117290  -21.25208      65.52779 
1 1 1 5   -22 6  o 92.17408 43.28571 1.389738       6.018948  -2.413483      6.605730  8.619621       69.06049 
1 1 1 5   -22 7  f 95.14191 44.87794 3.614267       6.558453  -4.685797      7.296051  19.23216       71.16441 
1 1 1 5   -21 0  o 92.80154 44.49154 -9.425237      7.069047  4.031642       7.683780  -39.11106      75.31790 
1 1 1 5   -21 1  o 85.86788 41.92788 -9.727628      7.358540  -1.367202      7.313321  -18.73158      70.73872 
1 1 1 5   -21 2  o 128.8745 57.55662 5.863618       8.927689  2.745902       9.921682  7.266113       88.59055 
1 1 1 5   -21 3  o 112.8843 49.81815 11.97010       9.438183  -0.8340439     5.615417  53.37714       84.33805 
1 1 1 5   -21 4  o 104.3295 45.29900 -1.304458      5.404276  5.468301       5.482603  -31.30234      72.27403 
1 1 1 5   -21 5  f 89.51869 41.71124 1.246476       5.799844  -2.533388      5.522051  14.58118       67.98509 
1 1 1 5   -21 6  o 95.73089 44.19262 0.8829392      5.751532  -1.337756      6.591271  3.310051       71.07725 
1 1 1 5   -21 7  o 115.4867 49.55339 4.440573       5.728413  2.695501       7.272356  4.043343       76.94738 
1 1 1 5   -21 8  o 113.2301 54.53212 0.000000       0.000000  0.6388405      8.020810  ?              ?        
1 1 1 5   -21 9  o 78.21548 38.60310 -4.686763      5.457651  -9.701303      9.958192  -13.99048      65.92184 
1 1 1 5   -20 0  o 71.51382 35.62349 -8.627860      6.222760  -9.355693      6.364482  0.3680115      62.50841 
1 1 1 5   -20 1  o 165.2402 64.76704 0.000000       0.000000  9.905589       6.835480  ?              ?        
1 1 1 5   -20 2  o 95.67831 44.73020 0.5423329      6.648013  -3.733604      6.538601  14.56520       73.74516 
1 1 1 5   -20 3  o 99.93761 46.04949 -2.328711      6.448771  0.9656352      6.785446  -13.40917      75.45508 
1 1 1 5   -20 4  o 122.7356 52.18867 6.496821       5.602484  -7.032566      10.20314  28.44298       81.32193 
1 1 1 5   -20 5  f 112.5062 53.30268 -0.3680378     9.299618  -1.956715      10.71632  -1.069038      85.03973 
1 1 1 5   -20 6  o 106.1723 52.03546 -5.754351      10.72466  -4.977202      12.77483  -7.188271      83.93387 
1 1 1 5   -20 7  o 135.6327 62.71680 5.283581       11.49930  6.940300       13.60010  -4.157486      94.50495 
1 1 1 5   -20 8  o 104.6729 49.84614 -4.852016      11.41078  -0.6906122E-01 7.555877  3.240654       80.18827 
1 1 1 5   -20 9  o 145.0359 54.82693 5.814677       6.143080  10.29743       7.588312  -19.42944      85.93183 
1 1 1 5   -20 10 o 125.4913 50.84843 6.121477       5.532791  3.118689       7.055964  12.18565       78.89374 
1 1 1 5   -19 0  o 167.0423 47.60624 4.930615       5.095223  10.21530       5.252266  -45.07277      80.54045 
1 1 1 5   -19 1  o 113.4203 45.41811 2.336632       4.664339  2.545379       5.059400  -3.934334      73.85384 
1 1 1 5   -19 2  o 135.0471 47.16183 5.788724       4.796507  3.581581       4.926757  16.25105       76.91119 
1 1 1 5   -19 3  o 69.91486 34.29122 -8.249887      5.093894  -3.458844      5.054127  -13.78104      60.30782 
1 1 1 5   -19 4  o 133.9489 49.73650 4.867856       5.479968  4.854882       5.530478  -0.4277039E-01 79.99322 
1 1 1 5   -19 5  o 95.78268 44.39870 -1.030772      6.337965  -1.961760      6.224602  4.106613       73.44944 
1 1 1 5   -19 6  o 158.1592 57.67747 8.290745       6.855561  7.201978       7.965564  5.857758       91.73561 
1 1 1 5   -19 7  o 93.25204 44.40424 -5.597596      6.206178  1.563125       8.428803  -33.09675      76.16233 
1 1 1 5   -19 8  o 85.71906 41.03334 -2.394797      5.555781  -4.777582      7.154305  -4.120102      68.74060 
1 1 1 5   -19 9  o 100.1987 49.24023 0.7369326      10.82693  -13.57429      10.43184  24.88064       81.48910 
1 1 1 5   -19 10 o 142.6120 62.87639 10.56419       11.48962  4.914190       10.30061  14.62259       95.26889 
1 1 1 5   -19 11 o 133.0284 59.62703 16.32078       10.86695  -2.780704      9.593553  51.26765       93.21448 
1 1 1 5   -19 12 o 125.8491 50.44728 3.148554       5.236648  8.137397       7.202057  -25.76394      80.64059 
1 1 1 5   -18 0  o 113.2308 45.23302 1.696632       4.863679  2.471171       4.736046  -4.091202      74.04927 
1 1 1 5   -18 1  o 247.6971 38.49374 19.28852       6.004770  11.23434       5.476891  69.87083       78.30782 
1 1 1 5   -18 2  o 191.5451 43.68587 11.47363       4.967653  6.951920       5.190400  43.37825       79.29101 
1 1 1 5   -18 3  o 218.9105 39.37304 11.61718       5.189307  12.13996       5.111754  -5.646408      78.45994 
1 1 1 5   -18 4  o 140.6238 48.99258 5.842265       5.176862  4.155041       5.312249  11.92114       80.14520 
1 1 1 5   -18 5  f 150.6026 50.57394 7.943192       5.425920  4.089577       5.738604  27.29144       82.49670 
1 1 1 5   -18 6  o 124.7992 48.52043 5.587953       4.967363  0.9910521      5.942051  23.11744       77.47401 
1 1 1 5   -18 7  o 182.4334 51.03761 12.38784       5.508693  5.279027       6.655046  55.90834       84.85049 
1 1 1 5   -18 8  o 92.48988 42.81915 -2.147019      5.185992  -0.4218733     6.745833  -17.95875      72.12785 
1 1 1 5   -18 9  o 248.7658 55.19143 17.99676       7.230295  20.01945       10.02771  15.03954       104.3650 
1 1 1 5   -18 10 o 90.32716 43.41143 -4.120138      5.887809  -2.932796      9.619185  -23.53233      74.60136 
1 1 1 5   -18 11 o 102.3985 47.40956 1.340226       6.010606  -5.194061      9.259040  2.552658       77.05291 
1 1 1 5   -18 12 o 106.5794 46.87204 2.765174       5.206813  -0.2364575     7.291330  2.767082       74.86159 
1 1 1 5   -18 13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   -17 0  o 181.8727 43.15874 7.160025       4.911062  8.907130       4.687783  -17.16440      78.11369 
1 1 1 5   -17 1  o 99.70658 42.64595 0.6274680      4.700253  0.7983220E-01  4.671537  3.571327       70.89466 
1 1 1 5   -17 2  o 142.0571 55.35312 0.000000       0.000000  3.934728       4.968739  ?              ?        
1 1 1 5   -17 3  o 142.0818 46.97035 2.302552       4.787981  7.449697       4.838538  -42.80998      76.94556 
1 1 1 5   -17 4  o 204.5258 41.51913 8.771564       5.100277  11.84241       5.074748  -30.10962      78.93912 
1 1 1 5   -17 5  o 370.0950 28.82451 35.76485       6.544859  27.64150       6.585958  52.79605       60.94854 
1 1 1 5   -17 6  o 207.3450 44.20159 12.02895       5.053434  9.411101       6.121773  28.23683       83.22129 
1 1 1 5   -17 7  o 132.8706 49.91785 5.708883       4.879384  1.409235       6.699737  17.59999       80.44940 
1 1 1 5   -17 8  o 110.3725 47.09401 0.5366604      5.025486  3.357826       6.713316  -24.31806      77.95070 
1 1 1 5   -17 9  o 158.5664 52.15260 5.569681       5.234495  9.867288       7.026003  -30.01157      87.36124 
1 1 1 5   -17 10 o 234.0990 52.60302 16.76195       5.908620  12.10283       11.64814  60.83022       96.33462 
1 1 1 5   -17 11 o 94.49553 43.18760 -0.8800334     5.049851  -0.2219526     6.547374  -12.80293      71.69112 
1 1 1 5   -17 12 o 131.9505 50.52351 4.497286       5.249542  5.443906       6.512016  -7.956818      81.01411 
1 1 1 5   -17 13 o 139.9153 55.31596 2.891066       5.842586  15.75649       9.842523  -55.41180      92.06069 
1 1 1 5   -17 14 o 150.0102 55.92302 7.768088       5.825317  7.238988       9.259145  4.955017       88.38680 
1 1 1 5   -16 0  o 158.3175 46.66611 5.026213       5.319759  6.704879       4.556274  -11.74805      79.51662 
1 1 1 5   -16 1  o 86.26381 39.05291 2.126465       4.547709  -4.942752      4.432094  39.55714       66.84457 
1 1 1 5   -16 2  f 300.9118 47.59401 0.000000       0.000000  21.68602       6.073227  ?              ?        
1 1 1 5   -16 3  o 212.5858 40.93639 9.678190       5.192739  11.90363       5.212306  -21.67282      78.94234 
1 1 1 5   -16 4  f 216.9799 39.37886 11.30714       5.110265  11.14964       5.100022  1.521729       77.48420 
1 1 1 5   -16 5  o 301.0979 30.28180 16.67402       5.336529  25.90513       5.858370  -70.02988      63.92224 
1 1 1 5   -16 6  o 277.7807 32.53806 14.81168       5.019502  22.83936       6.153241  -60.77518      68.37298 
1 1 1 5   -16 7  o 133.0610 49.11154 1.463081       4.788642  8.121490       6.180037  -53.98814      81.41857 
1 1 1 5   -16 8  f 139.1538 49.51645 2.263323       4.754197  9.045072       6.332411  -54.86968      82.44761 
1 1 1 5   -16 9  o 129.9638 51.68952 3.813404       5.828074  3.475116       6.751424  -2.456833      83.54571 
1 1 1 5   -16 10 o 245.8131 54.26196 16.93194       5.693826  0.000000       0.000000  ?              ?        
1 1 1 5   -16 11 o 110.0252 46.84163 1.124329       5.009753  2.448372       6.485084  -15.68249      76.90518 
1 1 1 5   -16 12 o 114.6445 47.42501 1.945608       4.929845  3.588604       6.319088  -15.57204      77.13882 
1 1 1 5   -16 13 o 107.9356 46.35028 -0.8191125     4.945020  6.263227       6.533370  -42.64092      76.91644 
1 1 1 5   -16 14 f 148.8972 55.77130 8.931673       6.005482  3.447512       8.556911  25.56633       87.00657 
1 1 1 5   -16 15 o 102.1546 46.92152 1.772833       5.844416  -4.015341      8.411418  5.165245       75.83559 
1 1 1 5   -15 0  o 144.9291 44.18007 9.747452       5.153643  2.341829       3.808291  75.33501       74.33699 
1 1 1 5   -15 1  o 201.4198 37.18266 7.437605       4.796636  11.15387       4.209910  -39.53806      72.17192 
1 1 1 5   -15 2  o 305.1364 26.99355 24.90699       5.260436  17.64492       4.875044  54.53815       55.96170 
1 1 1 5   -15 3  o 265.9990 37.30127 11.51800       7.911664  18.32616       5.009994  -64.49347      83.10542 
1 1 1 5   -15 4  o 89.21358 39.83103 -1.602892      4.437994  -0.4880323     4.545976  -7.518372      67.51149 
1 1 1 5   -15 5  o 310.4787 28.01199 22.89087       5.297144  20.71401       5.377862  16.90607       57.98556 
1 1 1 5   -15 6  o 177.2306 43.93951 2.976125       4.371067  14.77029       5.404976  -112.0019      73.44072 
1 1 1 5   -15 7  o 337.6547 37.93468 26.77088       5.521305  0.000000       0.000000  ?              ?        
1 1 1 5   -15 8  o 140.0776 49.00534 5.691041       4.657833  2.618258       6.143609  13.89781       80.50608 
1 1 1 5   -15 9  o 203.6112 64.88324 0.000000       0.000000  11.70509       6.527842  ?              ?        
1 1 1 5   -15 10 o 142.9769 52.18604 6.097788       4.815531  1.234744       9.088339  7.807373       86.35534 
1 1 1 5   -15 11 o 118.8521 48.34981 0.7356774      4.907685  6.097197       6.678596  -40.18040      80.46819 
1 1 1 5   -15 12 o 98.02229 43.67282 -3.324880      4.790171  5.221003       6.228534  -52.77934      74.84431 
1 1 1 5   -15 13 o 150.1003 50.95045 9.250219       5.195315  2.205403       6.274585  45.92587       80.99199 
1 1 1 5   -15 14 o 138.2204 53.64206 8.119308       5.785751  0.4147177      7.822584  33.28104       83.78001 
1 1 1 5   -15 15 o 111.1979 51.29135 -0.4998076E-01 5.820768  0.000000       0.000000  ?              ?        
1 1 1 5   -15 16 o 124.0766 55.25881 2.947463       6.072714  0.000000       0.000000  ?              ?        
1 1 1 5   -14 0  o 87.68569 38.37841 -2.591195      4.916912  0.5804306      3.424706  0.7583771      65.10983 
1 1 1 5   -14 1  o 85.69644 37.58771 0.6922427      4.357217  -1.238183      3.457576  24.17880       64.42250 
1 1 1 5   -14 2  o 301.6342 24.83811 18.47622       5.066318  21.80418       4.252458  -28.90475      53.06414 
1 1 1 5   -14 3  o 92.80938 38.97871 3.193775       3.908162  -1.998003      3.693656  39.89651       64.80141 
1 1 1 5   -14 4  o 175.3272 41.14605 6.173379       4.524000  8.343534       4.281282  -22.08804      74.42009 
1 1 1 5   -14 5  o 370.9509 23.96343 30.91946       5.385980  30.54274       5.589027  2.885284       48.74451 
1 1 1 5   -14 6  o 442.1051 21.72576 45.12989       5.927278  41.83741       5.952754  17.25394       43.96800 
1 1 1 5   -14 7  o 233.4715 37.76509 14.85589       4.846881  9.649590       5.862326  51.88123       76.67581 
1 1 1 5   -14 8  o 370.6003 26.94562 35.99620       5.763611  24.52558       6.631824  77.83380       59.44654 
1 1 1 5   -14 9  o 147.9554 55.54195 7.455179       7.743062  2.850237       6.287606  35.27513       91.74239 
1 1 1 5   -14 10 o 193.9170 46.97848 10.34419       4.954550  8.049890       6.558607  21.29279       84.98033 
1 1 1 5   -14 11 o 113.2579 47.05713 2.214827       4.810059  0.6211852      6.423774  -3.645340      77.58834 
1 1 1 5   -14 12 o 93.86288 42.38748 0.7412943      4.626853  -3.649637      6.217458  4.850029       70.62106 
1 1 1 5   -14 13 o 104.0217 44.90511 2.543462       4.800484  -1.854229      5.959408  12.97189       73.32645 
1 1 1 5   -14 14 o 162.7807 55.66784 7.237418       5.756301  9.019477       8.569364  -10.54942      92.13282 
1 1 1 5   -14 15 o 134.7078 57.65138 4.263795       6.061973  0.000000       0.000000  ?              ?        
1 1 1 5   -14 16 o 103.1260 48.15387 -1.443229      5.375964  0.000000       0.000000  ?              ?        
1 1 1 5   -14 17 o 136.4422 57.93816 5.248842       6.038401  0.000000       0.000000  ?              ?        
1 1 1 5   -13 0  o 275.1494 25.35595 17.79318       4.705955  16.38449       3.950709  9.732880       52.58761 
1 1 1 5   -13 1  o 304.5496 42.82272 21.48850       5.562708  0.000000       0.000000  ?              ?        
1 1 1 5   -13 2  o 360.3344 21.44790 27.22174       5.185553  30.06386       4.444502  -19.91653      44.44351 
1 1 1 5   -13 3  o 200.2185 33.09182 12.15922       4.264881  7.001100       3.723163  55.35106       65.22709 
1 1 1 5   -13 4  o 363.4016 25.36651 29.39536       7.529844  29.62897       4.750975  -9.890350      58.50194 
1 1 1 5   -13 5  o 182.2601 37.60147 5.924478       3.948481  10.04239       4.293299  -44.69363      70.09451 
1 1 1 5   -13 6  o 266.6501 27.25128 16.45310       4.453181  15.63967       4.435434  7.157013       56.34489 
1 1 1 5   -13 7  f 126.1487 44.02543 0.9887644      3.991362  6.343812       4.529425  -50.99873      72.25642 
1 1 1 5   -13 8  o 544.4312 22.02097 66.06048       6.943585  65.76010       8.014268  3.557922       44.97153 
1 1 1 5   -13 9  o 207.3063 43.97205 10.96081       4.976031  9.364647       6.174155  15.80661       82.98279 
1 1 1 5   -13 10 o 319.6105 30.53425 21.52897       5.390213  26.37953       6.819160  -28.59085      64.23799 
1 1 1 5   -13 11 o 194.6302 45.86662 8.018841       4.762702  12.16277       6.545436  -34.73561      85.04072 
1 1 1 5   -13 12 o 228.0921 41.41980 12.03476       5.051611  14.09848       6.511884  -11.06078      83.25171 
1 1 1 5   -13 13 o 262.5683 34.92443 12.68492       4.916139  23.73191       6.507580  -82.84294      73.53784 
1 1 1 5   -13 14 o 118.1905 52.50347 0.5472850      5.446810  0.000000       0.000000  ?              ?        
1 1 1 5   -13 15 o 158.3342 59.25671 7.319571       5.546875  0.000000       0.000000  ?              ?        
1 1 1 5   -13 16 o 206.4309 64.17421 14.34908       6.423894  0.000000       0.000000  ?              ?        
1 1 1 5   -13 17 o 136.8787 56.95900 5.018294       5.653578  0.000000       0.000000  ?              ?        
1 1 1 5   -13 18 o 175.8075 61.19510 11.70518       6.384577  6.578355       13.65625  28.94597       96.37159 
1 1 1 5   -12 0  o 229.5389 27.87407 13.07598       4.225746  11.06568       3.619612  18.45129       57.76009 
1 1 1 5   -12 1  o 95.23603 38.16314 1.910420       3.941041  0.5424554      3.072291  21.95152       64.19976 
1 1 1 5   -12 2  o 116.2715 41.22401 -1.467493      4.180657  5.443862       3.389781  -51.31452      65.09863 
1 1 1 5   -12 3  o 201.8652 32.85011 5.956336       4.324613  11.81099       3.693960  -63.67340      65.53135 
1 1 1 5   -12 4  o 130.6705 40.68049 4.379344       3.805171  3.420843       3.510904  11.88927       68.71217 
1 1 1 5   -12 5  o 575.5888 17.86483 69.07981       6.254750  77.68645       6.493789  -33.93073      35.92350 
1 1 1 5   -12 6  f 327.8598 21.54692 26.16308       4.415784  21.81653       4.302209  30.48279       43.83508 
1 1 1 5   -12 7  o 259.5123 25.52327 17.40435       4.126223  13.04234       3.988580  39.20584       53.02687 
1 1 1 5   -12 8  o 200.2592 52.08564 9.683095       4.617740  0.000000       0.000000  ?              ?        
1 1 1 5   -12 9  o 165.7474 46.31458 6.763796       4.464167  6.132048       5.624678  1.285049       80.60435 
1 1 1 5   -12 10 o 486.7508 22.20120 52.94227       6.281396  52.62919       7.179973  3.665863       45.36228 
1 1 1 5   -12 11 o 101.6269 43.98001 -1.610059      4.439448  3.092596       6.170293  -44.01366      75.98468 
1 1 1 5   -12 12 o 138.3956 48.84472 2.600511       4.581879  7.571635       6.239183  -46.05490      82.08896 
1 1 1 5   -12 13 o 255.6993 35.28768 15.70077       5.103601  15.32784       5.873361  8.800919       74.56484 
1 1 1 5   -12 14 o 157.4938 52.02991 6.065217       4.597831  9.140259       9.984050  -27.01758      92.88338 
1 1 1 5   -12 15 o 113.9931 51.06586 -0.5437706E-01 5.266848  0.000000       0.000000  ?              ?        
1 1 1 5   -12 16 o 140.3331 56.30062 4.876692       5.279919  0.000000       0.000000  ?              ?        
1 1 1 5   -12 17 o 118.2327 52.06982 1.766730       5.246165  0.000000       0.000000  ?              ?        
1 1 1 5   -12 18 o 118.3897 49.48399 4.473475       5.665166  0.8890243      6.586047  13.28657       78.77144 
1 1 1 5   -12 19 o 100.5746 45.47965 0.1983234      5.173935  0.1868337      7.674764  -13.70376      75.07320 
1 1 1 5   -11 0  o 135.4438 38.56366 3.575019       3.381666  5.079239       3.409301  -16.78088      66.15468 
1 1 1 5   -11 1  o 229.1964 27.29103 13.79895       4.146391  10.53879       3.534450  30.96004       56.49665 
1 1 1 5   -11 2  o 229.2256 36.92398 0.000000       0.000000  12.16791       3.586462  ?              ?        
1 1 1 5   -11 3  o 137.1088 39.54425 4.420129       3.929058  4.315166       3.260149  4.999817       68.23426 
1 1 1 5   -11 4  o 757.9111 17.52143 126.5430       8.542806  126.8418       7.963049  -1.575500      35.30356 
1 1 1 5   -11 5  o 420.2997 21.41812 33.58760       6.948488  41.79493       4.775386  -50.14008      49.01953 
1 1 1 5   -11 6  o 106.9707 38.82366 2.884898       3.477559  1.557858       3.188982  15.69662       64.31898 
1 1 1 5   -11 7  o 438.9775 18.36904 41.16816       4.890424  44.23130       5.097961  -15.70181      36.99060 
1 1 1 5   -11 8  o 183.7830 35.38417 9.163546       3.751397  6.359915       4.039782  31.58002       67.63715 
1 1 1 5   -11 9  o 466.6570 20.76010 43.80878       5.520533  54.82533       6.616186  -51.84235      41.98534 
1 1 1 5   -11 10 o 308.8281 28.96920 26.44015       5.124736  14.82804       5.933548  93.84474       65.91081 
1 1 1 5   -11 11 o 214.4665 41.98851 14.19286       4.831046  5.447730       6.190311  78.44958       78.08331 
1 1 1 5   -11 12 o 151.7841 48.88118 3.662119       4.615620  8.601624       6.178737  -47.38803      82.99323 
1 1 1 5   -11 13 o 167.3961 47.12325 5.029312       4.513906  10.33570       5.993691  -49.52609      82.13749 
1 1 1 5   -11 14 o 246.0936 40.85866 15.16255       4.842574  13.33660       8.920186  33.22072       88.98902 
1 1 1 5   -11 15 o 113.8539 50.06324 0.5171834      4.832139  0.000000       0.000000  ?              ?        
1 1 1 5   -11 16 o 252.2074 57.00287 17.78800       6.157194  0.000000       0.000000  ?              ?        
1 1 1 5   -11 17 o 156.7133 53.30000 12.15973       5.564703  -1.511456      7.098612  81.15147       81.18485 
1 1 1 5   -11 18 o 108.4417 46.81427 4.768201       5.379332  -2.893525      6.200402  30.88369       75.20337 
1 1 1 5   -11 19 o 133.0163 50.71914 5.100310       4.951166  4.611736       7.356191  -2.337311      81.80224 
1 1 1 5   -11 20 f 87.24581 41.06009 0.4936527      4.843552  -7.988619      7.332708  8.196190       68.06546 
1 1 1 5   -10 0  o 294.9500 29.50780 22.06851       5.250312  17.67037       5.405992  36.52338       62.31648 
1 1 1 5   -10 1  o 309.1951 26.64830 20.97510       5.086371  22.39630       5.036643  -11.08963      55.07428 
1 1 1 5   -10 2  o 258.1746 34.59764 18.25930       5.902915  13.46575       5.009403  38.95102       71.83001 
1 1 1 5   -10 3  o 354.8427 28.20910 29.07609       7.250096  28.07431       5.446283  -0.6494141E-01 60.53365 
1 1 1 5   -10 4  f 343.4114 24.93740 31.92472       8.402030  25.02379       4.163750  32.48502       61.17001 
1 1 1 5   -10 5  o 889.4731 18.04007 179.5482       10.36884  170.4346       9.584850  22.47540       36.30178 
1 1 1 5   -10 6  o 354.9930 18.20121 29.10746       4.095871  26.74625       3.900673  15.00531       36.69113 
1 1 1 5   -10 7  o 403.6574 17.48764 36.08514       4.389992  35.90131       4.347251  0.9885254      35.19261 
1 1 1 5   -10 8  o 495.7794 17.15928 54.00973       5.226140  54.55402       5.313438  -2.403900      34.49442 
1 1 1 5   -10 9  o 246.8263 28.83773 15.24282       4.031554  11.79093       4.712192  35.57942       61.78281 
1 1 1 5   -10 10 o 266.3651 28.57380 15.84152       4.253752  16.29683       5.175961  -0.7596436     60.24264 
1 1 1 5   -10 11 o 96.63441 44.54236 -3.043356      4.378699  0.000000       0.000000  ?              ?        
1 1 1 5   -10 12 o 138.0478 58.30225 0.000000       0.000000  1.325558       6.059336  ?              ?        
1 1 1 5   -10 13 o 109.9877 50.98962 0.000000       0.000000  -3.852971      5.860136  ?              ?        
1 1 1 5   -10 14 o 447.3544 22.62574 44.69239       5.659145  45.38311       7.099677  1.655060       47.25896 
1 1 1 5   -10 15 o 160.7659 57.93337 6.371525       5.221787  0.000000       0.000000  ?              ?        
1 1 1 5   -10 16 o 157.4362 57.12461 6.560102       5.088037  0.000000       0.000000  ?              ?        
1 1 1 5   -10 17 f 214.1676 47.17754 15.04195       5.619752  7.860217       6.723851  64.66795       85.43469 
1 1 1 5   -10 18 f 164.8214 50.50846 13.33265       5.045749  -1.877761      6.545796  101.9850       75.43501 
1 1 1 5   -10 19 o 93.35146 42.61479 -1.636579      4.581603  1.197321       7.285957  -30.43449      73.50868 
1 1 1 5   -10 20 o 91.52952 41.91468 2.423456       4.756450  -6.219744      6.277300  21.79564       68.52634 
1 1 1 5   -10 21 o 107.4594 46.01780 3.939472       4.870847  -1.382088      6.358045  16.91206       73.30620 
1 1 1 5   -9  0  o 176.5977 41.76664 8.052658       4.316820  6.990378       4.715938  10.66846       75.80476 
1 1 1 5   -9  1  o 305.6703 25.79955 23.07382       4.939847  19.39359       4.757900  27.58777       53.26805 
1 1 1 5   -9  2  o 250.4205 31.54646 14.80116       5.157009  14.26023       4.494847  1.585861       66.30064 
1 1 1 5   -9  3  o 152.0694 42.28685 6.539357       4.347642  4.814428       3.947633  18.60735       73.26216 
1 1 1 5   -9  4  o 74.15211 33.82317 -3.819401      4.040431  -0.3159415E-02 3.055254  -6.918831      57.73920 
1 1 1 5   -9  5  o 394.5532 22.58479 33.24470       5.007722  37.03559       6.186254  -19.06213      46.41986 
1 1 1 5   -9  6  o 253.3654 37.17895 13.93352       7.523214  15.11394       4.737730  -17.29492      81.51936 
1 1 1 5   -9  7  o 258.0539 33.17549 17.53001       5.640456  13.35026       4.829267  35.29091       68.40980 
1 1 1 5   -9  8  o 176.0414 46.14124 7.530381       5.079964  7.051775       5.118125  4.361160       81.14525 
1 1 1 5   -9  9  o 156.9586 48.90186 5.826828       5.108999  5.430179       5.451859  1.436996       82.50434 
1 1 1 5   -9  10 o 272.4129 32.09702 7.994102       5.972870  22.66469       4.842848  -129.2402      71.72094 
1 1 1 5   -9  11 o 401.1577 28.58929 36.12427       4.997629  0.000000       0.000000  ?              ?        
1 1 1 5   -9  12 o 194.4669 42.13383 8.631529       4.465828  9.339878       5.593452  -7.489334      79.14515 
1 1 1 5   -9  13 o 164.6364 47.28943 9.098253       4.556817  2.088826       5.850101  52.87079       78.30698 
1 1 1 5   -9  14 o 398.3672 23.28690 33.55547       5.292798  38.36650       6.295763  -24.83478      47.61762 
1 1 1 5   -9  15 o 427.1132 37.77761 42.76268       7.004582  0.000000       0.000000  ?              ?        
1 1 1 5   -9  16 o 244.3055 52.21181 15.44511       5.425306  0.000000       0.000000  ?              ?        
1 1 1 5   -9  17 f 389.4338 39.39078 37.26365       6.636257  0.000000       0.000000  ?              ?        
1 1 1 5   -9  18 o 317.0984 32.56411 35.07955       5.704490  6.782711       7.174280  221.0509       73.67604 
1 1 1 5   -9  19 o 147.3036 50.81506 8.301201       4.815269  1.195071       7.093624  39.04893       80.59380 
1 1 1 5   -9  20 o 178.9124 48.79300 13.04458       5.064694  3.121463       6.246487  78.72551       79.06021 
1 1 1 5   -9  21 o 121.6945 48.02304 8.618444       4.844388  -3.833328      6.045031  64.16441       73.66116 
1 1 1 5   -8  0  o 121.6940 34.42664 1.401402       2.547831  6.154670       2.919431  -60.67239      57.05204 
1 1 1 5   -8  1  o 470.6320 15.00967 48.10112       4.251061  49.93758       4.513439  -8.492462      30.20704 
1 1 1 5   -8  2  o 224.6669 21.24549 12.93681       2.985457  9.846239       2.869427  31.94859       43.97750 
1 1 1 5   -8  3  o 265.0522 19.15083 17.67992       3.271420  14.00774       3.001038  31.29010       39.01240 
1 1 1 5   -8  4  o 214.7384 24.18294 9.898207       3.341096  10.90958       3.014764  -12.71133      50.76016 
1 1 1 5   -8  5  o 388.1269 23.93130 37.92062       6.423375  31.16137       5.227223  36.06537       49.06097 
1 1 1 5   -8  6  o 305.6534 26.68900 23.40435       5.094909  18.95629       4.928462  33.66220       55.18610 
1 1 1 5   -8  7  f 390.2315 22.96356 33.73503       5.462784  34.13180       5.608469  -2.019409      46.54733 
1 1 1 5   -8  8  o 167.4120 38.82630 5.175513       3.922905  7.982171       3.985162  -30.87944      70.10064 
1 1 1 5   -8  9  o 559.4643 21.31290 68.15586       7.264047  70.41933       7.508115  -8.961365      42.90514 
1 1 1 5   -8  10 o 371.1541 31.63670 0.000000       0.000000  30.95212       5.101418  ?              ?        
1 1 1 5   -8  11 o 491.4181 27.53362 68.15285       8.523492  40.80901       8.204997  128.7957       57.52484 
1 1 1 5   -8  12 o 303.7122 41.99737 16.03153       7.578099  27.08282       7.829537  -83.50996      86.73797 
1 1 1 5   -8  13 o 125.9104 55.32180 0.5228245      8.793194  -1.927230      7.932847  17.63982       93.19612 
1 1 1 5   -8  14 o 172.8446 54.28497 4.327316       8.562652  8.199698       5.427780  -11.96962      92.32959 
1 1 1 5   -8  15 o 620.0651 34.56234 88.01962       9.363102  0.000000       0.000000  ?              ?        
1 1 1 5   -8  16 o 202.9033 52.64805 10.78605       5.072027  8.821329       13.00754  3.886734       101.4382 
1 1 1 5   -8  17 o 203.0416 44.41421 13.45495       5.015229  6.004828       5.989573  68.36194       79.90102 
1 1 1 5   -8  18 o 141.5240 48.56861 6.561460       4.256184  1.090647       7.009854  24.16898       79.17966 
1 1 1 5   -8  19 o 209.3796 44.88307 14.47074       4.897344  5.697265       6.923719  79.15472       80.37613 
1 1 1 5   -8  20 o 289.2750 42.05794 21.92747       5.180332  0.000000       0.000000  ?              ?        
1 1 1 5   -8  21 o 105.4722 44.82497 1.597718       4.518044  1.797008       6.048037  -10.13529      73.21546 
1 1 1 5   -8  22 o 156.1675 50.57035 13.96385       5.464975  0.2434449      5.728851  95.99764       77.22044 
1 1 1 5   -7  0  o 303.8326 21.84867 20.55280       2.892353  0.000000       0.000000  ?              ?        
1 1 1 5   -7  1  o 380.6154 14.78705 32.38124       3.390181  31.51086       3.587449  5.521545       29.80409 
1 1 1 5   -7  2  o 83.85040 33.20277 0.6472347      2.388392  1.243436       2.784064  -11.46513      55.31112 
1 1 1 5   -7  3  o 271.5303 17.60370 14.12285       2.889153  18.81128       3.012967  -39.68169      35.88847 
1 1 1 5   -7  4  o 60.57116 28.04005 -1.649723      2.559980  -1.189622      2.430536  -0.6620102     48.50035 
1 1 1 5   -7  5  o 117.5987 35.25671 5.132922       3.082884  1.900492       2.543650  42.07072       59.58452 
1 1 1 5   -7  6  o 238.3756 23.30126 12.98620       4.144105  12.74089       2.953728  -2.821625      51.23682 
1 1 1 5   -7  7  o 486.8187 15.46502 54.53367       4.939650  50.76839       4.430328  16.74692       31.19930 
1 1 1 5   -7  8  o 524.9167 15.31073 68.27263       5.389192  55.29130       4.651949  55.26398       30.78525 
1 1 1 5   -7  9  o 428.4963 15.58445 39.61570       4.099060  41.41772       4.172986  -9.551300      31.31465 
1 1 1 5   -7  10 o 279.1762 24.86772 10.29164       5.438698  20.54070       3.619747  -95.15015      63.88199 
1 1 1 5   -7  11 f 184.5961 41.23600 8.016285       4.131284  7.921845       5.283737  -0.6992340     76.75665 
1 1 1 5   -7  12 o 137.3567 46.93538 2.669577       4.042435  7.382748       6.264517  -53.18776      80.98210 
1 1 1 5   -7  13 o 242.7526 37.39920 9.285586       4.556820  24.45782       7.226833  -124.1214      74.48324 
1 1 1 5   -7  14 o 521.0650 21.65632 56.99651       5.808897  68.67818       9.382212  -44.06586      47.18272 
1 1 1 5   -7  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   -7  16 o 267.8963 91.48312 0.000000       0.000000  21.31060       12.90380  ?              ?        
1 1 1 5   -7  17 o 222.7728 72.66525 18.48420       11.31146  9.419946       11.77222  45.90154       118.6444 
1 1 1 5   -7  18 o 178.0388 58.05227 10.25434       10.58475  8.200410       5.979216  15.78029       99.84694 
1 1 1 5   -7  19 o 99.73086 42.69588 3.478516       4.154216  -4.178072      5.554666  28.20959       69.19418 
1 1 1 5   -7  20 o 158.4081 47.30215 5.365523       4.455079  9.419685       5.817493  -32.77003      81.14600 
1 1 1 5   -7  21 o 138.0165 48.76189 5.231720       4.855336  5.371819       5.645809  -2.348495      79.25148 
1 1 1 5   -7  22 o 119.8034 46.25648 3.925824       4.475972  3.344679       5.398643  0.4260788      74.29463 
1 1 1 5   -7  23 o 134.9151 52.33634 5.478164       4.426485  0.000000       0.000000  ?              ?        
1 1 1 5   -6  0  o 369.3272 14.20738 26.92933       3.164133  33.54142       3.340776  -40.78668      28.58648 
1 1 1 5   -6  1  o 452.6274 13.09661 48.16769       3.727218  42.19030       3.621701  30.10699       26.28855 
1 1 1 5   -6  2  o 609.5203 13.71063 80.91566       5.147393  82.58403       5.221321  -6.195190      27.51454 
1 1 1 5   -6  3  o 1031.708 17.43948 231.6440       11.03760  238.0296       11.28881  -13.88544      34.97940 
1 1 1 5   -6  4  o 87.03442 32.12748 0.3861580      2.347155  2.234835       2.238659  -19.12897      52.71534 
1 1 1 5   -6  5  o 556.6902 19.85145 0.000000       0.000000  68.75337       4.839620  ?              ?        
1 1 1 5   -6  6  o 414.6150 21.79227 38.37586       3.949311  0.000000       0.000000  ?              ?        
1 1 1 5   -6  7  o 334.7651 17.58728 24.33844       4.151885  25.27458       3.279351  -8.785492      36.84201 
1 1 1 5   -6  8  o 237.6064 21.98737 15.34467       3.566571  10.88820       2.933454  41.14790       45.20441 
1 1 1 5   -6  9  o 93.89510 35.40534 0.1230241      2.964108  2.628770       2.680751  -20.72486      57.91702 
1 1 1 5   -6  10 o 602.0984 14.79556 74.84425       5.358230  85.47673       5.710709  -39.99792      29.71401 
1 1 1 5   -6  11 o 649.8805 15.15090 92.58523       6.026489  93.36594       6.192590  -2.599304      30.42420 
1 1 1 5   -6  12 o 252.9351 24.65847 14.39931       3.540655  14.18750       4.177620  3.774323       51.54038 
1 1 1 5   -6  13 o 466.4789 24.20720 48.45202       4.936163  0.000000       0.000000  ?              ?        
1 1 1 5   -6  14 o 825.4200 24.42265 151.4605       8.832652  0.000000       0.000000  ?              ?        
1 1 1 5   -6  15 o 65.16071 32.44505 -9.249580      4.539223  -8.875134      6.259565  -22.44797      61.17962 
1 1 1 5   -6  16 o 228.2556 40.85085 10.18848       4.635634  17.81473       7.476742  -60.33124      83.10249 
1 1 1 5   -6  17 o 392.6333 27.44480 31.54799       5.611453  43.02010       8.583549  -53.74261      58.74828 
1 1 1 5   -6  18 o 311.4850 28.28718 21.36224       4.576210  24.56324       6.953801  -9.239197      63.76128 
1 1 1 5   -6  19 o 139.6698 61.47419 5.471839       9.841987  -1.652358      10.89138  18.81540       98.70522 
1 1 1 5   -6  20 o 126.4689 57.82531 2.019446       10.14451  -2.641166      10.15989  13.25267       93.98990 
1 1 1 5   -6  21 o 173.7968 68.07662 12.44971       12.47946  9.067058       9.477801  11.43283       106.6466 
1 1 1 5   -6  22 o 120.5524 50.42376 2.661608       8.959014  3.084473       5.149109  13.00214       82.87386 
1 1 1 5   -6  23 o 98.33621 41.57921 1.082093       3.938644  2.134910       4.973626  -12.78396      67.90533 
1 1 1 5   -5  0  o 446.3022 12.41765 42.95192       3.401683  44.69571       3.468270  -8.884277      24.89501 
1 1 1 5   -5  1  o 617.3262 12.99606 85.62222       5.041961  81.99939       4.913936  13.32465       26.06197 
1 1 1 5   -5  2  o 228.1061 16.65828 11.96697       2.395376  11.10064       2.289941  8.602112       33.74572 
1 1 1 5   -5  3  o 227.7201 16.24902 12.57688       2.279244  10.36752       2.281248  22.50870       33.09639 
1 1 1 5   -5  4  o 1038.329 17.25010 238.1189       11.11067  237.0198       11.11080  2.419189       34.58218 
1 1 1 5   -5  5  o 901.8356 15.65682 180.8401       8.806495  177.5807       8.711970  8.168457       31.38599 
1 1 1 5   -5  6  o 453.1992 12.85181 45.43901       3.616513  45.08328       3.602261  1.779541       25.79228 
1 1 1 5   -5  7  o 201.6578 21.61755 7.133978       2.896065  10.61175       2.476890  -42.87843      47.29756 
1 1 1 5   -5  8  o 209.5807 23.50890 7.975932       3.463823  11.11384       2.688722  -39.05359      52.42155 
1 1 1 5   -5  9  o 316.4342 16.08965 23.60567       3.249655  20.97029       3.055109  18.72668       32.48049 
1 1 1 5   -5  10 o 100.7777 35.00413 0.8215777      2.671921  3.356050       2.679158  -27.91350      57.44482 
1 1 1 5   -5  11 o 69.15407 30.75068 0.1428765      2.538596  -1.634654      2.775164  9.014542       52.19690 
1 1 1 5   -5  12 o 478.8073 15.31332 49.57575       4.374422  51.62378       4.731400  -9.426331      30.79457 
1 1 1 5   -5  13 o 594.6954 15.90601 76.99996       5.771038  79.02419       5.958429  -7.585938      31.93328 
1 1 1 5   -5  14 o 236.1980 27.49456 9.818851       3.564854  17.04122       4.504460  -67.32263      56.64994 
1 1 1 5   -5  15 o 98.13923 42.49319 -1.070444      3.970355  1.870792       6.358173  -43.74683      75.28145 
1 1 1 5   -5  16 o 547.6802 21.39954 67.76358       7.386357  65.54486       7.132747  8.832703       43.17059 
1 1 1 5   -5  17 o 166.6845 45.87945 6.730464       3.718006  6.741521       9.450531  -20.33679      89.30956 
1 1 1 5   -5  18 f 133.6106 45.83933 3.988832       3.834384  4.360450       6.062587  -16.12128      78.20472 
1 1 1 5   -5  19 o 113.6947 43.68293 2.840571       3.968909  1.969716       4.813831  -0.3228531     71.70390 
1 1 1 5   -5  20 f 127.7635 46.26389 4.147508       4.137220  3.421445       5.635577  -2.308151      76.22373 
1 1 1 5   -5  21 o 103.6420 43.70954 3.593198       4.273259  -2.489759      5.603288  22.69437       70.51731 
1 1 1 5   -5  22 o 81.90037 38.35307 -1.822725      4.214796  -2.488132      6.012072  -13.38544      65.50388 
1 1 1 5   -5  23 o 100.8144 49.30947 0.000000       0.000000  -6.589901      7.263941  ?              ?        
1 1 1 5   -5  24 o 85.56082 40.79203 2.285413       5.759248  -8.901040      6.279116  30.79034       68.47160 
1 1 1 5   -4  0  o 1242.235 19.59959 328.7515       14.72398  352.3678       15.51316  -42.82666      39.29283 
1 1 1 5   -4  1  o 1271.820 20.01697 351.0702       15.61712  361.9255       15.97314  -19.23743      40.12706 
1 1 1 5   -4  2  o 549.5969 12.04099 68.72102       4.216639  64.22755       4.001953  18.54419       24.14728 
1 1 1 5   -4  3  o 414.7088 12.32324 39.59608       3.257682  36.23062       3.082879  18.41711       24.70944 
1 1 1 5   -4  4  o 633.2985 12.63553 85.28486       4.860130  91.25508       5.074500  -21.39319      25.33381 
1 1 1 5   -4  5  o 192.7128 19.22584 10.13117       2.213724  6.212711       2.325807  48.58498       41.25591 
1 1 1 5   -4  6  o 229.3511 16.78221 12.02796       2.368713  11.27903       2.373491  7.585327       34.04538 
1 1 1 5   -4  7  o 177.5600 20.20343 8.397939       2.226931  5.829905       2.146790  33.76241       41.96198 
1 1 1 5   -4  8  o 629.6008 13.35573 85.94389       5.326958  88.73720       5.111962  -10.46014      26.87092 
1 1 1 5   -4  9  o 372.6353 14.88858 32.17608       3.839430  29.77783       3.135683  13.28583       30.40489 
1 1 1 5   -4  10 o 225.3548 19.58390 12.46045       2.750644  10.31944       2.672103  21.99443       40.21580 
1 1 1 5   -4  11 f 653.0297 19.87628 0.000000       0.000000  94.44518       5.686740  ?              ?        
1 1 1 5   -4  12 o 503.4553 14.43058 59.30211       4.360325  51.86251       4.658614  34.20529       29.22082 
1 1 1 5   -4  13 f 449.7680 15.41327 45.60949       4.238365  43.51549       4.351793  10.79245       30.99316 
1 1 1 5   -4  14 o 169.2530 34.89407 7.030447       3.320231  6.163776       3.814548  9.807114       65.90356 
1 1 1 5   -4  15 o 878.6292 23.35738 168.8598       12.20008  174.7059       13.31082  -13.24872      47.19147 
1 1 1 5   -4  16 o 254.9602 28.57150 15.89264       4.050423  12.83437       4.972310  31.62848       61.89993 
1 1 1 5   -4  17 o 233.7513 30.83114 16.45476       3.945324  6.269794       4.945501  101.9165       66.26920 
1 1 1 5   -4  18 o 357.1509 23.34779 29.77317       4.522013  26.62557       6.123134  26.79630       51.40438 
1 1 1 5   -4  19 o 161.8353 40.16338 5.202091       3.553172  8.622212       4.714575  -35.98897      72.73667 
1 1 1 5   -4  20 o 395.1913 21.36945 36.95987       4.968915  33.60751       5.511407  22.89911       44.33347 
1 1 1 5   -4  21 o 107.0902 41.69767 2.570427       3.704367  1.785236       4.341391  0.8986511      68.10996 
1 1 1 5   -4  22 o 158.0046 44.42537 12.29954       4.673150  1.907745       4.408395  92.77928       71.21857 
1 1 1 5   -4  23 o 238.0888 50.02066 16.23939       5.057485  0.000000       0.000000  ?              ?        
1 1 1 5   -4  24 o 82.44637 38.88335 -2.393744      4.249463  -1.368921      7.194312  -24.72163      67.65664 
1 1 1 5   -4  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   -3  0  o 318.0637 12.10253 23.03325       2.376381  21.46441       2.390667  11.31018       24.30964 
1 1 1 5   -3  1  o 257.7570 12.97606 14.19190       2.061867  15.08046       2.074378  -7.904709      26.10711 
1 1 1 5   -3  2  o 283.8798 12.25489 17.31533       2.138907  18.16541       2.167295  -6.838501      24.61478 
1 1 1 5   -3  3  o 772.2869 13.50383 132.9908       6.540584  129.2144       6.400139  11.09204       27.03478 
1 1 1 5   -3  4  o 639.6431 12.20992 89.56791       4.851780  90.19479       4.837653  -2.246338      24.47234 
1 1 1 5   -3  5  o 719.2921 13.04756 113.2482       5.804457  114.1686       5.839126  -2.902283      26.15269 
1 1 1 5   -3  6  o 365.3603 11.89249 27.11028       2.612578  31.91526       2.778539  -29.90512      23.85947 
1 1 1 5   -3  7  o 246.3300 14.97135 12.27336       2.210628  14.68963       2.349456  -22.35564      30.23514 
1 1 1 5   -3  8  o 256.5371 14.24008 13.19185       2.253248  15.91105       2.261188  -24.43307      28.85316 
1 1 1 5   -3  9  o 374.0478 13.47493 32.92546       3.616063  29.69378       2.786539  18.28659       27.70620 
1 1 1 5   -3  10 o 712.6807 15.61421 121.2109       8.841337  108.4746       5.854065  34.63953       33.53059 
1 1 1 5   -3  11 o 407.5598 13.38488 38.11604       3.381646  35.22257       3.377049  16.27048       26.91685 
1 1 1 5   -3  12 o 82.82986 36.01827 -0.3237275     2.440906  0.000000       0.000000  ?              ?        
1 1 1 5   -3  13 o 844.8254 15.34933 161.3822       8.174280  153.1278       7.919782  22.11157       30.79333 
1 1 1 5   -3  14 f 870.9650 16.04763 173.0096       8.867154  161.7195       8.485769  29.26068       32.20811 
1 1 1 5   -3  15 o 535.5120 19.59553 59.84886       5.993639  68.71301       7.156906  -35.93945      39.69390 
1 1 1 5   -3  16 o 296.2382 23.14693 19.64478       3.776522  19.49202       4.867834  4.142609       49.05669 
1 1 1 5   -3  17 o 157.8954 42.72091 9.196375       3.803779  0.1568497      5.011929  75.31664       68.94218 
1 1 1 5   -3  18 o 144.9171 40.77893 4.611199       3.450357  5.608457       4.339684  -13.98132      71.08324 
1 1 1 5   -3  19 o 399.7890 24.07659 37.21989       4.786800  32.22084       8.777701  49.87619       64.44036 
1 1 1 5   -3  20 o 190.1430 39.62287 6.838774       3.535636  18.21642       7.490131  -88.68666      81.51122 
1 1 1 5   -3  21 o 94.68143 40.83886 -0.2955154     3.401424  4.139688       7.351426  -53.66026      75.54961 
1 1 1 5   -3  22 o 103.7922 41.45009 2.313938       3.157025  0.5885130      6.605844  -14.48424      71.11931 
1 1 1 5   -3  23 o 224.2795 31.00953 14.74751       3.518780  6.602505       5.532183  95.01245       67.34089 
1 1 1 5   -3  24 o 107.5186 39.94379 2.326180       3.071179  3.919776       4.362662  -18.59445      66.20167 
1 1 1 5   -3  25 o 96.83012 38.81532 3.256316       3.184462  -0.6011983E-01 4.067597  17.12556       62.03514 
1 1 1 5   -2  0  o 613.5629 11.71572 80.14312       4.374993  85.42437       4.548191  -19.56403      23.47890 
1 1 1 5   -2  1  o 66.73382 26.00606 1.334994       1.520497  -0.1985355     1.583824  18.35446       42.72401 
1 1 1 5   -2  2  o 535.8438 11.01938 61.33881       3.598022  64.89116       3.731180  -15.07123      22.08623 
1 1 1 5   -2  3  o 139.6101 18.65457 4.092372       1.560856  4.648369       1.589839  -9.189285      38.10768 
1 1 1 5   -2  4  o 621.8583 11.64129 83.85265       4.454494  86.04211       4.527694  -8.004761      23.32781 
1 1 1 5   -2  5  o 409.2115 10.62498 36.36349       2.675513  37.24017       2.714489  -4.872498      21.28875 
1 1 1 5   -2  6  o 294.4333 12.23898 17.89970       2.253480  20.21300       2.208191  -18.07141      24.66388 
1 1 1 5   -2  7  o 561.3907 11.44431 66.22826       3.882149  72.61237       4.097341  -25.81897      22.94436 
1 1 1 5   -2  8  o 793.7305 13.63605 138.4691       6.679286  138.8099       6.749151  -0.9244995     27.31942 
1 1 1 5   -2  9  f 347.8132 11.97536 28.54839       2.669794  25.00342       2.498513  23.08765       24.04589 
1 1 1 5   -2  10 o 401.8020 16.53450 0.000000       0.000000  35.78443       2.907874  ?              ?        
1 1 1 5   -2  11 o 677.9114 15.05505 99.02309       7.816095  102.8385       5.461174  -17.45691      32.56438 
1 1 1 5   -2  12 o 313.4526 20.64990 21.88121       2.823353  0.000000       0.000000  ?              ?        
1 1 1 5   -2  13 o 701.9679 13.81102 108.7836       5.996197  108.0956       6.031850  2.273010       27.70885 
1 1 1 5   -2  14 o 843.4630 15.20357 158.0123       8.034266  155.2852       7.877598  7.254089       30.50215 
1 1 1 5   -2  15 o 736.8325 19.64393 116.5160       8.704653  124.0417       9.262714  -22.64056      39.50586 
1 1 1 5   -2  16 o 279.7494 20.24903 23.21478       3.349541  10.53054       3.650023  110.5377       47.23264 
1 1 1 5   -2  17 o 236.3539 25.99155 10.94738       3.268657  15.69286       4.527630  -42.06216      54.22471 
1 1 1 5   -2  18 o 90.16994 37.67970 1.219102       3.138199  -0.7614877     4.088033  1.822243       62.92434 
1 1 1 5   -2  19 o 736.5786 22.80382 121.4671       7.358756  0.000000       0.000000  ?              ?        
1 1 1 5   -2  20 o 313.6666 23.32097 19.39367       3.504177  36.17968       7.647168  -92.81085      54.16467 
1 1 1 5   -2  21 f 212.6361 31.08154 10.19292       3.089056  13.69833       6.812088  -8.384933      75.18764 
1 1 1 5   -2  22 o 238.9291 27.03764 13.92688       3.243733  12.01155       5.423825  38.15195       66.04589 
1 1 1 5   -2  23 o 259.9084 23.11258 17.42719       3.213274  12.53796       4.461882  59.55212       56.35517 
1 1 1 5   -2  24 o 163.5019 34.87996 7.683123       3.072778  5.617166       3.949333  28.39772       65.53322 
1 1 1 5   -2  25 o 104.3634 38.59839 1.561846       2.980114  4.628526       3.779764  -29.60145      63.45029 
1 1 1 5   -1  0  o 412.1769 10.45377 37.59446       2.670282  37.05597       2.671083  2.985352       20.94385 
1 1 1 5   -1  1  o 357.1172 10.25330 28.69994       2.264622  27.34085       2.273471  8.705505       20.55629 
1 1 1 5   -1  2  o 324.4828 10.51779 20.91630       2.032804  25.76363       2.206362  -33.95148      21.09320 
1 1 1 5   -1  3  o 249.2981 11.31461 13.68331       1.753329  13.66910       1.737153  0.1150360      22.73104 
1 1 1 5   -1  4  o 648.7212 11.55535 92.88768       4.670298  91.96436       4.630059  3.231323       23.15244 
1 1 1 5   -1  5  o 860.0986 14.00987 160.2377       7.403631  164.9900       7.548028  -12.54126      28.04810 
1 1 1 5   -1  6  o 328.9405 10.62001 24.91620       2.213298  22.74825       2.118152  14.99710       21.29319 
1 1 1 5   -1  7  o 830.1019 13.65040 155.1453       7.167346  148.0751       6.898355  19.28540       27.33562 
1 1 1 5   -1  8  o 713.4930 12.37951 110.2391       5.430358  113.6376       5.529181  -10.81085      24.78797 
1 1 1 5   -1  9  o 128.7161 21.58414 3.303718       1.638898  4.253545       1.687025  -16.20601      42.62340 
1 1 1 5   -1  10 o 405.9894 11.26957 35.53843       2.884184  37.02762       2.789056  -8.517914      22.64555 
1 1 1 5   -1  11 o 73.59312 31.49866 0.000000       0.000000  0.2345808E-01  1.809872  ?              ?        
1 1 1 5   -1  12 f 181.6256 20.14815 9.524666       2.224662  5.282761       2.239150  55.37721       43.03751 
1 1 1 5   -1  13 o 401.7316 13.52098 38.23153       3.416988  33.07815       3.314663  29.24988       27.17796 
1 1 1 5   -1  14 o 352.9848 14.52956 30.42474       3.332929  25.01418       3.036963  34.69550       29.20211 
1 1 1 5   -1  15 o 176.7487 23.30617 7.628003       2.476462  6.421923       2.510079  16.03676       47.89306 
1 1 1 5   -1  16 o 235.1620 19.71479 12.26238       2.747081  12.38000       2.964221  -0.5758362     40.33385 
1 1 1 5   -1  17 o 813.3215 15.72823 150.0504       7.976266  141.8353       7.894778  23.01678       31.59357 
1 1 1 5   -1  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   -1  19 o 233.7976 23.64969 14.14889       3.061246  9.485612       3.832972  51.39452       53.44543 
1 1 1 5   -1  20 o 559.0742 19.54907 69.86462       4.786609  0.000000       0.000000  ?              ?        
1 1 1 5   -1  21 o 191.9399 29.50284 7.974262       2.785101  10.75482       4.764946  -19.82886      64.52400 
1 1 1 5   -1  22 o 370.5544 17.14223 33.29144       3.421310  26.32064       4.762842  52.30890       39.12868 
1 1 1 5   -1  23 o 319.4630 18.89420 24.80046       3.320085  20.61360       4.334651  38.71384       42.06909 
1 1 1 5   -1  24 o 112.6626 37.48269 2.669758       2.743860  4.321466       3.530108  -18.99072      62.73707 
1 1 1 5   -1  25 o 348.1507 30.21131 0.000000       0.000000  30.17740       4.567955  ?              ?        
1 1 1 5   -1  26 o 88.65795 34.50238 0.3049220      2.460125  3.978720       3.106183  -37.36598      56.79981 
1 1 1 5   0   0  o 567.0671 11.14503 71.27178       3.949235  69.97417       3.892218  5.198669       22.33493 
1 1 1 5   0   1  o 304.0942 10.29457 20.36221       1.933383  20.28916       1.944920  0.5575867      20.64347 
1 1 1 5   0   2  o 739.6078 12.49647 119.0119       5.689475  121.3449       5.778168  -7.160461      25.01316 
1 1 1 5   0   3  o 311.7733 9.771428 20.98249       1.873298  21.74841       1.901939  -5.598267      19.58692 
1 1 1 5   0   4  o 590.6937 10.69412 77.08569       3.943194  76.15058       3.894329  3.592651       21.42583 
1 1 1 5   0   5  o 826.2283 13.39715 149.1338       6.854053  150.8516       6.878803  -4.733276      26.81877 
1 1 1 5   0   6  o 1060.998 16.49012 239.4872       10.59589  256.5242       11.13004  -36.33826      33.03069 
1 1 1 5   0   7  o 515.7180 10.08174 56.97549       3.192027  59.88309       3.259541  -12.83987      20.20271 
1 1 1 5   0   8  o 881.2065 14.09724 171.7756       7.757919  169.7740       7.655073  5.121948       28.23315 
1 1 1 5   0   9  f 378.2870 9.850655 30.37273       2.280524  32.60088       2.339777  -13.41281      19.74273 
1 1 1 5   0   10 f 430.8786 9.991918 43.46285       2.745029  38.44062       2.602041  26.47925       20.04737 
1 1 1 5   0   11 o 529.8528 14.89961 0.000000       0.000000  62.07272       3.459394  ?              ?        
1 1 1 5   0   12 o 649.5311 11.87993 94.26971       4.813089  91.75056       4.760611  8.795898       23.84873 
1 1 1 5   0   13 o 539.8613 11.58978 65.05789       3.796497  63.16421       3.971988  8.228210       23.30301 
1 1 1 5   0   14 o 84.63482 31.20965 0.6193169      2.304555  1.785269       2.041318  -9.546486      51.46191 
1 1 1 5   0   15 o 255.5605 17.74699 15.36325       3.310919  13.97346       2.464669  10.85661       37.14923 
1 1 1 5   0   16 o 337.6822 14.40503 26.12049       3.059760  24.25824       2.963560  12.52145       28.96932 
1 1 1 5   0   17 o 676.8666 13.69867 101.7051       5.753511  100.1793       5.749936  5.153320       27.50132 
1 1 1 5   0   18 o 369.9554 15.08177 32.10209       3.338214  28.05700       3.582453  25.54291       30.64382 
1 1 1 5   0   19 o 672.5395 13.93728 100.3139       5.683326  99.20824       5.955186  4.166931       28.03988 
1 1 1 5   0   20 o 518.4366 13.03328 62.44191       4.116390  56.14545       4.263777  28.15558       26.29713 
1 1 1 5   0   21 o 165.2230 24.99676 5.017188       2.314496  8.094679       2.691992  -40.21419      50.53481 
1 1 1 5   0   22 o 77.51385 32.47969 0.1860998      2.233752  1.213380       3.342950  -22.32030      55.53788 
1 1 1 5   0   23 o 183.8447 24.88920 6.815325       2.410861  10.13716       3.343779  -33.47359      52.59546 
1 1 1 5   0   24 f 131.2805 31.75457 2.494111       2.256117  7.748850       3.024524  -66.14585      55.98385 
1 1 1 5   0   25 o 165.1833 43.30932 0.000000       0.000000  7.724625       3.175829  ?              ?        
1 1 1 5   0   26 o 134.4664 31.89356 4.756881       2.284919  4.700179       3.164550  4.891434       58.83543 
1 1 1 5   1   0  f 936.1365 15.19723 193.3745       8.846807  191.9253       8.803564  3.511719       30.42997 
1 1 1 5   1   1  o 855.8834 14.04312 162.0845       7.486498  159.8877       7.425487  5.829285       28.11426 
1 1 1 5   1   2  o 692.7599 12.04797 108.1920       5.288682  102.8464       5.072883  17.51215       24.11685 
1 1 1 5   1   3  o 745.0424 12.47261 123.3069       5.819811  120.6073       5.710550  8.221863       24.96564 
1 1 1 5   1   4  o 933.5881 14.78985 186.2713       8.388794  197.3532       8.753134  -26.90179      29.61529 
1 1 1 5   1   5  o 193.4320 11.68238 7.858983       1.382526  8.649872       1.408297  -9.380081      23.55851 
1 1 1 5   1   6  o 1050.586 16.24109 243.2796       10.60462  242.1604       10.56414  2.410278       32.52602 
1 1 1 5   1   7  o 752.6291 12.26111 128.6750       5.865272  120.5842       5.593143  24.39410       24.54533 
1 1 1 5   1   8  o 640.2457 10.94406 89.48576       4.349670  90.58515       4.343372  -3.920532      21.90523 
1 1 1 5   1   9  o 288.5020 9.635242 17.86090       1.721274  18.74194       1.722606  -6.986298      19.32874 
1 1 1 5   1   10 o 115.3427 20.10776 2.558854       1.386285  3.493819       1.386561  -17.57589      39.30874 
1 1 1 5   1   11 o 542.0161 14.56375 64.88807       3.459338  0.000000       0.000000  ?              ?        
1 1 1 5   1   12 o 155.3840 17.99101 5.390032       2.119644  5.444357       1.462152  -3.600433      39.69522 
1 1 1 5   1   13 o 157.0431 18.76613 5.552433       1.673603  5.537652       1.939697  1.331268       39.11199 
1 1 1 5   1   14 o 303.8284 17.12023 20.43601       2.272368  0.000000       0.000000  ?              ?        
1 1 1 5   1   15 o 238.1045 14.23207 13.76179       2.161278  11.42638       2.029896  22.35646       28.72975 
1 1 1 5   1   16 f 108.0424 28.91187 4.066930       2.170763  1.717867       1.825335  37.32715       49.91025 
1 1 1 5   1   17 o 167.3236 21.52962 7.474892       2.457260  5.547061       1.983798  25.00244       44.32341 
1 1 1 5   1   18 o 285.5500 15.26076 20.70732       2.896008  15.99210       2.528052  37.11899       30.77317 
1 1 1 5   1   19 f 380.3354 12.51218 30.04100       2.867862  33.97283       3.035212  -23.42081      25.12811 
1 1 1 5   1   20 o 288.4750 13.81313 19.45650       2.429244  17.33345       2.501621  17.13098       27.96579 
1 1 1 5   1   21 o 268.8068 13.89222 15.93082       2.215192  16.19703       2.414960  -1.669006      28.16624 
1 1 1 5   1   22 o 204.9216 16.65813 9.656969       2.004339  9.206460       2.209146  6.294022       34.48223 
1 1 1 5   1   23 o 237.6547 15.33534 12.43462       2.129111  13.03256       2.391007  -4.412308      31.42640 
1 1 1 5   1   24 o 287.0180 16.21418 18.43320       2.529558  19.06937       3.416550  1.006744       34.75729 
1 1 1 5   1   25 o 59.29062 27.25823 -0.2990214     2.049544  -1.735354      2.666093  -0.2638168     46.24238 
1 1 1 5   1   26 o 89.88482 32.11729 3.462028       2.114556  -0.3246449E-01 2.451214  34.57880       50.84343 
1 1 1 5   1   27 o 108.3747 32.17901 3.627624       2.143156  2.476841       2.549575  13.85391       54.23180 
1 1 1 5   2   0  o 192.5083 15.19039 7.424676       1.767952  9.026388       1.832376  -19.18791      30.90045 
1 1 1 5   2   1  o 184.0472 14.61681 7.415231       1.623083  7.574190       1.689045  -1.873306      29.66883 
1 1 1 5   2   2  o 1097.540 17.21113 263.8141       11.68670  266.1510       11.74914  -4.826294      34.47379 
1 1 1 5   2   3  o 1522.658 23.08323 511.6082       21.81823  510.8383       21.78770  1.132813       46.29137 
1 1 1 5   2   4  o 701.8271 11.92976 108.6625       5.213980  107.7105       5.173686  3.079041       23.87690 
1 1 1 5   2   5  o 440.7716 9.549402 41.77847       2.596541  43.53778       2.625694  -9.102478      19.14030 
1 1 1 5   2   6  o 1195.619 18.26941 319.5651       13.71504  309.8408       13.39044  18.37500       36.60281 
1 1 1 5   2   7  o 619.9841 10.66216 84.63562       4.124085  84.17850       4.077412  1.664551       21.33823 
1 1 1 5   2   8  o 734.2651 11.90087 115.4272       5.329009  121.6835       5.517099  -19.34698      23.82308 
1 1 1 5   2   9  o 766.8013 12.25691 131.3381       5.903110  127.2386       5.759838  12.11694       24.54174 
1 1 1 5   2   10 o 306.9586 8.718583 19.99261       1.677031  21.39995       1.640469  -10.51813      17.50345 
1 1 1 5   2   11 o 126.0763 15.92924 3.066900       1.236984  4.033750       1.199924  -18.11783      32.96733 
1 1 1 5   2   12 o 317.8192 8.730725 21.76337       1.855188  22.58177       1.610017  -6.219391      17.73980 
1 1 1 5   2   13 o 602.6582 10.46860 82.22962       3.930092  77.74598       3.897303  17.14435       20.99473 
1 1 1 5   2   14 o 682.6121 16.36863 102.8761       4.901032  0.000000       0.000000  ?              ?        
1 1 1 5   2   15 o 265.0456 10.32428 15.13136       1.712126  15.77526       1.676831  -5.605774      20.74482 
1 1 1 5   2   16 o 497.6758 14.34321 0.000000       0.000000  54.57166       3.127814  ?              ?        
1 1 1 5   2   17 o 74.98682 25.53039 0.7348707      1.471402  1.528835       1.375546  -10.71664      42.28794 
1 1 1 5   2   18 o 812.9211 13.16253 146.1249       6.670154  145.0338       6.605301  2.996399       26.38392 
1 1 1 5   2   19 o 202.7432 14.06106 8.350996       1.858283  9.711746       1.671419  -16.07784      29.02227 
1 1 1 5   2   20 o 304.3588 11.05371 21.74121       2.171544  19.31558       2.005319  17.95676       22.21413 
1 1 1 5   2   21 o 144.5412 18.55272 4.771925       1.597335  4.690211       1.654490  1.620377       38.27895 
1 1 1 5   2   22 o 373.9278 10.78465 30.12620       2.426031  31.83818       2.578845  -10.09555      21.69946 
1 1 1 5   2   23 o 145.4452 20.16490 6.214245       1.748644  3.508918       1.793098  43.36948       41.82788 
1 1 1 5   2   24 o 241.8150 13.85565 13.53597       1.968417  12.63485       2.188388  9.967056       28.52151 
1 1 1 5   2   25 o 209.3059 15.35536 11.92286       2.005923  8.113737       1.954702  42.56798       32.26633 
1 1 1 5   2   26 o 200.0653 17.09664 9.979321       2.122549  8.521203       2.080983  16.95367       35.74685 
1 1 1 5   2   27 o 77.52383 29.12930 2.605893       1.924164  0.1160425      1.875938  28.82821       46.96524 
1 1 1 5   3   0  o 1274.198 19.91111 350.2243       15.51365  365.1982       15.97229  -26.54248      39.90297 
1 1 1 5   3   1  o 1110.524 20.26544 271.3852       17.07344  271.6935       12.09884  -4.616821      43.15159 
1 1 1 5   3   2  o 879.0565 14.42261 167.6734       7.818049  172.0388       7.912005  -11.28864      28.87553 
1 1 1 5   3   3  o 66.29249 25.01227 1.646828       1.461265  -0.1088946     1.352581  26.97157       41.02250 
1 1 1 5   3   4  o 461.0403 10.06278 47.75205       2.933206  45.65736       2.825576  10.32254       20.17214 
1 1 1 5   3   5  o 1024.182 16.04680 233.9279       10.31124  227.5326       10.08237  14.13110       32.13721 
1 1 1 5   3   6  o 994.8415 15.59100 213.3427       9.488882  222.1126       9.759897  -19.97717      31.22220 
1 1 1 5   3   7  o 647.3919 11.13536 87.86436       4.348120  96.73273       4.606795  -31.11621      22.28675 
1 1 1 5   3   8  o 47.58665 21.32927 0.4943624      1.294545  -1.362995      1.308333  19.21839       36.45029 
1 1 1 5   3   9  o 772.5076 12.30681 130.9632       5.900790  131.3661       5.894123  -1.193970      24.64045 
1 1 1 5   3   10 o 949.6427 14.58266 194.9607       8.478710  202.3667       8.706613  -17.61194      29.22400 
1 1 1 5   3   11 o 321.8247 7.878044 23.23668       1.593169  22.29134       1.553058  6.676239       15.80271 
1 1 1 5   3   12 o 326.7554 7.329103 23.65020       1.510479  23.28281       1.461832  2.517883       14.70289 
1 1 1 5   3   13 o 175.6989 13.14226 7.806040       1.714454  6.351444       1.241419  17.46840       27.36763 
1 1 1 5   3   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   3   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   3   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   3   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   3   18 o 140.4973 17.91381 4.434954       1.078896  0.000000       0.000000  ?              ?        
1 1 1 5   3   19 o 601.9673 9.838930 80.71432       3.706900  78.65270       3.641926  7.765015       19.70199 
1 1 1 5   3   20 o 277.2589 8.493238 15.91833       1.427883  18.00631       1.492297  -17.13245      17.03888 
1 1 1 5   3   21 o 113.0353 17.32368 3.110612       1.195443  2.710428       1.157562  7.908142       34.92442 
1 1 1 5   3   22 o 390.4269 9.010036 33.67841       2.208169  33.53779       2.157010  0.7182312      18.10615 
1 1 1 5   3   23 o 289.9350 9.936418 18.28355       1.782148  18.97023       1.786762  -5.425354      20.01048 
1 1 1 5   3   24 o 268.2781 10.53261 17.03468       1.658615  14.68448       1.856973  21.09634       21.65741 
1 1 1 5   3   25 o 79.32278 25.72209 0.8462635      1.327419  2.435071       1.604713  -27.05413      42.94940 
1 1 1 5   3   26 o 125.6934 21.11466 4.167700       1.577528  3.376209       1.598686  14.13049       42.39645 
1 1 1 5   3   27 o 262.9643 11.92633 15.24182       1.934185  15.92756       1.946645  -5.961212      24.26606 
1 1 1 5   4   0  o 478.2745 11.60790 48.90404       3.405377  51.63613       3.483704  -13.00906      23.28112 
1 1 1 5   4   1  o 478.3413 11.27757 53.46186       3.460378  47.42194       3.242877  28.69595       22.61435 
1 1 1 5   4   2  o 594.2208 11.62068 77.40153       4.295789  77.68878       4.271256  -1.115967      23.28936 
1 1 1 5   4   3  o 627.0096 11.79738 90.81985       4.773966  82.50233       4.423198  30.07953       23.65046 
1 1 1 5   4   4  o 467.1738 10.58962 48.24321       3.120198  47.61933       3.019950  2.999756       21.23732 
1 1 1 5   4   5  o 850.4515 14.00683 165.9924       7.631353  152.7270       7.168986  35.34229       28.04821 
1 1 1 5   4   6  o 128.1166 22.21445 2.821657       1.528684  5.184997       1.950307  -39.21843      43.18361 
1 1 1 5   4   7  o 483.8459 10.00510 54.05742       3.100752  49.05445       2.913811  23.49515       20.05343 
1 1 1 5   4   8  o 439.6967 9.375198 43.15979       2.583977  41.76334       2.531070  7.225342       18.79092 
1 1 1 5   4   9  o 772.2644 12.46143 128.9073       5.924418  133.3475       6.015975  -13.06793      24.95102 
1 1 1 5   4   10 o 365.5401 8.854636 29.50100       2.011033  29.19513       2.004597  1.907593       17.75912 
1 1 1 5   4   11 o 291.2583 9.457930 16.60977       1.621671  21.22140       1.806280  -35.85086      18.97666 
1 1 1 5   4   12 o 65.19414 22.47820 0.5040252      1.143726  1.178566       1.065345  -10.22020      37.14153 
1 1 1 5   4   13 o 172.0671 13.04887 6.573276       0.9775121 0.000000       0.000000  ?              ?        
1 1 1 5   4   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   4   25 o 149.2075 19.06666 5.186879       1.219388  0.000000       0.000000  ?              ?        
1 1 1 5   4   26 o 57.10072 21.00618 0.9960442      1.024349  0.3546527      0.9374266 12.38681       34.60498 
1 1 1 5   4   27 o 157.6916 16.84241 0.000000       0.000000  5.796827       1.146953  ?              ?        
1 1 1 5   4   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   0  o 110.0117 30.61967 5.833768       2.232562  0.2976615E-01  2.105066  78.94713       47.52578 
1 1 1 5   5   1  o 744.6578 13.52170 125.8364       6.371788  118.1709       6.127444  23.36914       27.10242 
1 1 1 5   5   2  o 532.4182 11.76156 63.33717       3.924068  61.22193       3.846091  9.034973       23.58078 
1 1 1 5   5   3  o 346.5263 11.79785 26.37263       2.544327  26.43400       2.520513  -0.4221497     23.66337 
1 1 1 5   5   4  o 102.4580 27.35217 -0.2941035     1.741719  5.284164       1.801696  -82.29747      41.35355 
1 1 1 5   5   5  o 304.5008 11.59365 17.76714       2.075125  23.66560       2.316552  -43.92825      23.27996 
1 1 1 5   5   6  o 389.2888 10.60810 31.83347       2.507165  34.89886       2.614824  -17.91953      21.25756 
1 1 1 5   5   7  o 590.7740 15.97243 76.82767       4.135187  0.000000       0.000000  ?              ?        
1 1 1 5   5   8  o 478.6442 10.22013 50.25026       3.037049  50.37595       3.031933  -0.6028748     20.48716 
1 1 1 5   5   9  o 603.3057 16.12945 80.19889       4.264503  0.000000       0.000000  ?              ?        
1 1 1 5   5   10 o 364.4646 10.63261 29.99853       2.420115  28.46759       2.382922  9.571991       21.32237 
1 1 1 5   5   11 o 527.7056 10.67896 60.80635       3.448296  61.74127       3.545162  -3.947937      21.42620 
1 1 1 5   5   12 o 252.9039 11.31380 15.38023       1.762279  12.83626       1.778702  23.17288       22.88865 
1 1 1 5   5   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   14 o 408.3985 14.00548 36.86047       2.505188  0.000000       0.000000  ?              ?        
1 1 1 5   5   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   0  o 457.2742 18.22898 46.13596       3.648961  0.000000       0.000000  ?              ?        
1 1 1 5   6   1  o 254.5177 16.07191 15.44215       2.508183  13.14324       2.541173  20.92679       32.61466 
1 1 1 5   6   2  o 450.6313 12.44475 45.30976       3.503023  44.00842       3.448467  6.565796       24.94557 
1 1 1 5   6   3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   4  o 277.8332 14.71671 16.57611       2.535853  17.45210       2.518862  -7.270996      29.64258 
1 1 1 5   6   5  o 130.0869 27.88454 5.671742       2.243070  2.279089       2.126666  50.21280       50.06386 
1 1 1 5   6   6  o 919.1257 15.48182 207.3331       9.504476  169.4684       8.276406  92.79816       31.02936 
1 1 1 5   6   7  o 327.9444 13.58177 28.83294       2.893727  19.40134       2.637933  65.40884       27.45041 
1 1 1 5   6   8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   9  o 60.40789 27.23396 0.6032560      2.160789  -2.139088      2.152203  22.09871       46.68827 
1 1 1 5   6   10 o 79.06025 31.12830 0.9859456      2.208834  0.6420690      2.276064  2.532372       51.57190 
1 1 1 5   6   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   13 o 248.6599 19.67895 13.85761       2.128904  0.000000       0.000000  ?              ?        
1 1 1 5   6   14 o 196.5630 11.44865 9.330885       1.353606  7.657939       1.429314  19.88202       23.40894 
1 1 1 5   6   15 o 592.3975 9.773013 78.50583       3.643868  75.84434       3.541043  10.17633       19.56908 
1 1 1 5   6   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   0  o 120.0891 38.68910 8.265600       3.355463  -1.467666      3.201622  100.0346       57.53838 
1 1 1 5   7   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   2  o 72.24149 31.64400 -0.4881883     2.709917  -0.3675271     2.703392  -0.8177261     53.57161 
1 1 1 5   7   3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   5  o 637.5865 14.16629 92.21383       5.610996  86.56505       5.594808  20.24469       28.43028 
1 1 1 5   7   6  o 716.1006 14.52903 114.4642       6.413781  111.0466       6.494924  10.96783       29.15232 
1 1 1 5   7   7  o 703.5930 14.18428 115.6105       6.314643  102.6533       6.073919  41.88757       28.45627 
1 1 1 5   7   8  o 307.2724 18.69418 23.17575       3.452072  18.35283       3.648886  36.77127       38.41845 
1 1 1 5   7   9  o 470.2001 14.69493 53.02864       4.257711  44.34310       4.304430  42.42230       29.65857 
1 1 1 5   7   10 o 459.3764 14.84001 48.96460       4.153454  44.02296       4.296730  24.89020       29.93574 
1 1 1 5   7   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   13 o 196.5790 40.93453 0.000000       0.000000  9.345666       3.414778  ?              ?        
1 1 1 5   7   14 f 462.3183 12.03739 43.96620       3.331792  50.79309       3.579996  -33.37079      24.16283 
1 1 1 5   7   15 o 403.6665 14.72079 0.000000       0.000000  35.96595       2.602119  ?              ?        
1 1 1 5   7   16 o 457.7072 13.81733 46.16559       2.770867  0.000000       0.000000  ?              ?        
1 1 1 5   7   17 o 213.4333 15.60653 0.000000       0.000000  10.09938       1.450967  ?              ?        
1 1 1 5   7   18 o 135.7541 30.74059 4.309938       1.787796  0.000000       0.000000  ?              ?        
1 1 1 5   7   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   1  o 234.1080 29.52425 10.97876       4.046270  14.05412       4.355621  -29.83093      60.86715 
1 1 1 5   8   2  o 280.4387 33.81007 17.81742       4.075147  0.000000       0.000000  ?              ?        
1 1 1 5   8   3  o 246.5574 27.51008 12.52518       3.999095  14.94261       4.287819  -22.26930      56.72857 
1 1 1 5   8   4  o 473.3652 16.79436 49.53447       4.848919  49.28209       5.001952  1.384644       33.75719 
1 1 1 5   8   5  o 626.0624 15.28298 83.53006       5.772344  89.32906       6.112860  -20.87903      30.69347 
1 1 1 5   8   6  o 123.4638 43.37871 5.217255       4.002798  0.6712741      4.238970  37.31147       70.67802 
1 1 1 5   8   7  o 1011.143 17.58268 222.6078       10.86145  228.3716       11.20336  -12.69940      35.26336 
1 1 1 5   8   8  o 498.7201 16.54664 53.05061       4.968648  56.96401       5.268274  -17.59930      33.25548 
1 1 1 5   8   9  o 464.4876 16.84490 47.90601       4.727559  47.44238       4.972741  2.661407       33.93636 
1 1 1 5   8   10 o 224.5673 31.48867 11.86307       4.237227  11.28132       4.295613  6.258499       64.74479 
1 1 1 5   8   11 o 412.3883 18.80631 36.72034       4.763119  39.02335       4.834141  -12.69861      38.01447 
1 1 1 5   8   12 o 120.8528 48.66292 0.000000       0.000000  2.147842       3.959937  ?              ?        
1 1 1 5   8   13 o 312.3579 19.90474 22.50821       3.635048  20.98453       4.076168  12.89352       41.01235 
1 1 1 5   8   14 o 272.1510 17.41158 17.74428       3.067934  15.39957       2.798628  19.20206       35.28596 
1 1 1 5   8   15 o 807.8920 16.51640 148.0110       10.42871  142.2328       7.071595  11.64551       35.54683 
1 1 1 5   8   16 o 784.8280 19.18694 136.1389       6.605133  0.000000       0.000000  ?              ?        
1 1 1 5   8   17 o 305.4265 12.44571 18.27294       2.238350  23.40510       2.487415  -38.01447      25.02003 
1 1 1 5   8   18 o 218.3465 13.42716 10.60946       1.841905  10.49928       1.779401  1.021637       27.14143 
1 1 1 5   8   19 o 482.9746 14.48786 51.53202       3.065763  0.000000       0.000000  ?              ?        
1 1 1 5   8   20 o 159.4330 22.77087 5.778388       1.547240  0.000000       0.000000  ?              ?        
1 1 1 5   8   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   9   0  o 166.3249 46.89264 9.437975       4.900490  3.590147       5.204263  50.97195       78.81249 
1 1 1 5   9   1  f 493.8299 19.75885 51.42157       5.855850  57.21740       6.243941  -26.19501      39.85020 
1 1 1 5   9   2  o 255.2377 31.93225 16.70728       4.748275  12.63505       5.169508  39.24329       67.24101 
1 1 1 5   9   3  o 638.8691 17.78188 83.98270       6.719199  97.71566       7.412024  -48.18262      35.74149 
1 1 1 5   9   4  o 1171.043 28.52418 305.5832       14.65168  0.000000       0.000000  ?              ?        
1 1 1 5   9   5  o 214.1326 37.65151 8.658250       4.702700  12.76925       4.943944  -41.09584      73.57919 
1 1 1 5   9   6  o 336.3223 24.21515 24.91117       4.922916  25.56115       5.119094  -4.035950      49.26675 
1 1 1 5   9   7  o 838.7481 16.78118 153.3330       8.579488  157.2592       8.891107  -10.32556      33.72208 
1 1 1 5   9   8  o 339.8490 23.54332 28.67157       4.932394  22.91785       4.932830  39.46567       48.28279 
1 1 1 5   9   9  o 89.87366 40.18044 -0.1325314     4.551805  -2.104037      4.622321  9.853447       68.04553 
1 1 1 5   9   10 o 481.8787 19.73651 47.88010       5.856256  55.60628       5.918513  -36.82254      39.96434 
1 1 1 5   9   11 o 431.1410 19.53003 41.64422       5.210636  41.31930       5.208682  1.735321       39.52376 
1 1 1 5   9   12 o 248.6482 36.04613 13.30306       7.131279  15.07855       4.518583  -28.36461      79.84466 
1 1 1 5   9   13 o 427.1660 17.61262 38.25983       4.409821  43.50027       4.950974  -26.77048      35.60726 
1 1 1 5   9   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   9   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   9   16 o 304.9188 20.98367 0.000000       0.000000  20.68404       2.789401  ?              ?        
1 1 1 5   9   17 o 339.6392 14.09461 23.99893       2.788782  27.38195       3.174744  -22.17053      28.41024 
1 1 1 5   9   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   9   19 o 572.9048 21.97787 0.000000       0.000000  73.18082       5.512683  ?              ?        
1 1 1 5   9   20 o 502.4925 21.21028 0.000000       0.000000  56.34923       4.664440  ?              ?        
1 1 1 5   9   21 o 188.6093 16.89420 7.118448       1.822452  9.128946       2.123171  -23.51305      34.65350 
1 1 1 5   9   22 o 448.1797 10.15938 42.91648       2.723302  46.03756       2.937800  -15.42731      20.44461 
1 1 1 5   9   23 o 230.8587 11.13567 11.72301       1.503660  12.00077       1.693146  -2.019089      22.63583 
1 1 1 5   9   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   9   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   9   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   9   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   10  0  f 405.5204 27.16719 38.06506       6.532258  36.13745       7.091221  13.29471       56.01558 
1 1 1 5   10  1  o 357.2819 40.12698 30.40623       8.368445  29.23551       9.165373  12.46582       85.41212 
1 1 1 5   10  2  o 555.9713 28.35979 68.69832       9.537150  70.89676       9.974401  -7.721802      57.81574 
1 1 1 5   10  3  o 399.0519 24.14052 35.43202       5.822652  35.89614       6.081383  -1.954926      49.10741 
1 1 1 5   10  4  o 605.1060 22.19522 82.96674       10.17216  80.78656       7.207811  1.410828       47.50433 
1 1 1 5   10  5  o 380.6252 23.81697 31.00846       5.500803  33.86197       5.694701  -16.87830      48.39524 
1 1 1 5   10  6  o 119.6009 47.50483 3.529008       5.206239  0.4858516      5.321720  18.93124       78.13552 
1 1 1 5   10  7  o 385.1364 24.20484 31.05006       5.678070  35.49937       5.831997  -26.40286      49.28299 
1 1 1 5   10  8  o 709.0198 17.80611 110.6441       7.813010  112.2644       7.837614  -5.196289      35.83808 
1 1 1 5   10  9  o 321.2125 29.11631 21.51960       5.701058  25.54951       5.776915  -29.43503      60.58145 
1 1 1 5   10  10 o 654.8333 17.71560 93.32086       7.074187  97.45909       7.310814  -13.93298      35.71215 
1 1 1 5   10  11 o 403.9573 21.76666 38.94268       5.466992  34.39658       5.402016  25.90536       44.32695 
1 1 1 5   10  12 o 209.2247 36.79949 5.539637       4.365214  16.48050       4.881516  -107.3320      69.19526 
1 1 1 5   10  13 o 575.1462 16.74988 71.15117       5.741052  75.85876       6.227756  -17.77216      33.75900 
1 1 1 5   10  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   10  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   10  16 o 339.5448 16.75604 26.98778       3.819662  24.42443       3.278704  16.36395       33.96380 
1 1 1 5   10  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   10  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   10  19 o 786.7607 14.69368 140.8409       7.391867  133.0299       6.969116  22.03583       29.54152 
1 1 1 5   10  20 o 278.9983 26.65702 17.67954       3.222611  0.000000       0.000000  ?              ?        
1 1 1 5   10  21 o 82.74614 30.81691 0.7065456      2.216688  1.733215       2.028689  -9.122498      50.66909 
1 1 1 5   10  22 o 105.3769 29.07366 4.146560       1.966004  1.197749       1.958557  42.57079       48.52121 
1 1 1 5   10  23 o 192.1668 16.00563 7.839936       1.899280  8.850136       1.882125  -12.50879      33.04699 
1 1 1 5   10  24 o 118.9417 29.28279 3.555183       1.666618  3.698766       3.668284  -1.733994      56.84381 
1 1 1 5   10  25 o 183.4994 14.23282 6.417315       1.550760  9.089500       1.670833  -33.19141      29.55588 
1 1 1 5   10  26 o 61.64519 26.03325 0.3725235      1.208002  0.000000       0.000000  ?              ?        
1 1 1 5   10  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   10  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   11  0  o 439.6322 37.22084 47.64611       10.09331  41.31274       10.01772  33.97415       77.67310 
1 1 1 5   11  1  o 232.8890 63.03098 14.75159       9.405507  13.39335       9.248654  8.977951       109.9769 
1 1 1 5   11  2  o 311.3246 34.96368 25.12313       6.653267  19.85939       6.618195  40.39459       73.90335 
1 1 1 5   11  3  o 270.0065 51.11571 25.27834       7.999281  9.694017       8.521435  116.9778       94.97524 
1 1 1 5   11  4  f 537.1918 29.83563 66.34840       9.617135  64.64349       10.21621  9.823242       61.27161 
1 1 1 5   11  5  o 245.7407 41.11152 11.64037       6.007237  17.17097       6.085039  -49.36855      82.05819 
1 1 1 5   11  6  o 221.0237 44.54783 13.79888       5.922793  9.915315       5.870625  35.23286       84.59248 
1 1 1 5   11  7  o 292.1225 33.60399 21.77303       5.999289  17.74573       5.958067  32.78815       70.75431 
1 1 1 5   11  8  o 382.2739 26.99261 36.01567       6.425203  30.37742       6.296098  34.07956       55.57357 
1 1 1 5   11  9  o 266.7076 37.92155 14.67035       5.954965  19.20027       6.250372  -37.95319      78.68551 
1 1 1 5   11  10 o 364.6169 25.38322 29.27230       5.598382  31.04481       5.818613  -10.42435      52.06183 
1 1 1 5   11  11 o 313.4984 34.34455 25.67998       8.534396  21.69620       5.537847  11.32852       77.73276 
1 1 1 5   11  12 o 328.1092 27.16969 19.14497       4.934627  32.88269       6.259446  -90.82394      56.07632 
1 1 1 5   11  13 o 328.6432 23.99573 20.12710       4.489887  29.96702       5.335006  -66.41782      49.00347 
1 1 1 5   11  14 o 300.2293 23.12498 20.57180       4.232309  19.68580       4.316117  7.119385       47.20222 
1 1 1 5   11  15 o 413.3021 18.36131 45.39829       5.794528  34.12410       4.051500  58.33185       37.89101 
1 1 1 5   11  16 o 83.48853 37.59611 -5.317188      6.960601  -0.4234191     3.185302  23.93951       68.50343 
1 1 1 5   11  17 o 471.2085 21.61133 0.000000       0.000000  49.50998       4.454900  ?              ?        
1 1 1 5   11  18 o 583.9678 14.36196 71.60586       5.128858  79.29871       5.279581  -29.91650      28.90033 
1 1 1 5   11  19 o 137.7385 39.11739 6.911939       5.714497  3.941984       2.743843  41.36179       73.92418 
1 1 1 5   11  20 o 638.3021 20.43238 0.000000       0.000000  91.01775       5.713295  ?              ?        
1 1 1 5   11  21 o 113.7207 32.78703 3.443805       2.578099  2.803991       2.321213  9.627022       56.35773 
1 1 1 5   11  22 o 244.3782 25.50412 0.000000       0.000000  13.88798       2.693652  ?              ?        
1 1 1 5   11  23 o 321.9129 14.77568 21.95003       2.925578  24.64970       2.960077  -19.26138      30.05287 
1 1 1 5   11  24 o 69.01289 28.66550 0.1674501      2.026193  0.9397977      2.013341  -7.148849      47.06839 
1 1 1 5   11  25 o 97.41412 29.72102 3.386565       1.966945  1.510323       1.952500  25.42527       49.48462 
1 1 1 5   11  26 o 128.4868 24.17040 4.422382       1.893558  3.889645       1.820151  7.896614       47.57518 
1 1 1 5   11  27 o 57.76390 24.85709 0.2704954      1.572233  0.1792218      1.650795  -0.2986145     40.88188 
1 1 1 5   11  28 o 86.45748 38.54146 0.000000       0.000000  1.555473       2.961454  ?              ?        
1 1 1 5   12  0  o 320.7036 32.85439 25.02614       6.170682  21.18770       6.756568  30.48596       69.27261 
1 1 1 5   12  1  o 454.0599 25.77464 42.36805       6.923183  50.64046       7.581461  -40.42096      52.33271 
1 1 1 5   12  2  o 844.2050 29.29485 0.000000       0.000000  160.7818       10.83133  ?              ?        
1 1 1 5   12  3  o 284.0343 58.91142 25.52129       10.40233  16.04926       9.711270  62.84926       111.0886 
1 1 1 5   12  4  o 174.3003 64.89330 2.874336       9.590226  10.76002       9.189495  -38.73557      104.9216 
1 1 1 5   12  5  o 372.4017 42.05381 42.29839       9.667825  23.99075       9.426832  117.2445       91.40993 
1 1 1 5   12  6  o 205.9916 63.26555 15.29199       8.952001  7.186921       8.772350  51.19203       105.3012 
1 1 1 5   12  7  o 157.2312 62.62741 1.448716       9.150056  8.048875       9.194490  -31.20164      101.5905 
1 1 1 5   12  8  o 288.7919 37.48003 15.24686       6.330481  24.75424       6.807657  -74.84236      78.66414 
1 1 1 5   12  9  o 348.3416 28.77335 25.07115       6.081178  30.52258       6.246226  -36.25552      59.80557 
1 1 1 5   12  10 o 432.4502 24.12743 48.33373       6.654423  36.62276       6.257310  61.44376       49.35004 
1 1 1 5   12  11 o 342.8081 28.20554 29.24734       5.583839  23.29148       6.386544  44.96753       60.60396 
1 1 1 5   12  12 o 109.7680 45.78142 0.9131284      4.917916  0.9433308      5.494602  -5.969147      76.09113 
1 1 1 5   12  13 o 120.1060 45.00488 -4.804747      4.161128  13.40087       5.012248  -150.2712      64.47458 
1 1 1 5   12  14 o 494.8916 27.04587 0.000000       0.000000  54.77953       5.848688  ?              ?        
1 1 1 5   12  15 o 400.9567 20.16121 38.05420       5.933307  34.40293       4.400373  17.67661       42.08094 
1 1 1 5   12  16 o 201.9886 70.85342 9.834101       7.762292  0.000000       0.000000  ?              ?        
1 1 1 5   12  17 o 306.0300 24.75085 18.41958       5.270640  22.83369       4.219784  -38.70172      54.42304 
1 1 1 5   12  18 o 215.8525 30.22087 10.40371       3.946351  11.06529       3.925290  -7.243378      62.25426 
1 1 1 5   12  19 o 491.4013 17.70060 53.64924       4.772255  53.58593       6.322671  4.013306       37.22040 
1 1 1 5   12  20 o 402.9110 18.16028 33.04777       4.161510  40.85295       5.010087  -41.65689      36.87467 
1 1 1 5   12  21 o 109.9161 41.96188 0.9976957      6.659911  2.670195       3.104351  16.84583       73.17508 
1 1 1 5   12  22 f 136.0543 33.74355 6.140701       2.891382  3.209055       2.779715  36.62098       59.45449 
1 1 1 5   12  23 o 198.7215 35.87278 0.000000       0.000000  10.10196       3.011846  ?              ?        
1 1 1 5   12  24 o 106.4666 35.62722 1.387550       2.765476  4.597406       2.769022  -33.49065      57.80937 
1 1 1 5   12  25 o 110.6740 33.78200 5.662771       2.510761  0.9322035      2.552597  54.14735       54.00035 
1 1 1 5   12  26 o 94.88763 32.45455 2.585990       2.266698  2.350228       2.328293  2.449394       53.03848 
1 1 1 5   12  27 o 171.0539 21.84958 8.094810       2.343665  6.508261       2.194782  19.64644       47.21903 
1 1 1 5   12  28 o 86.67532 30.27140 3.673676       2.055402  0.7480072      1.953321  33.67876       48.45136 
1 1 1 5   13  0  o 710.7999 21.62138 106.5365       9.485624  117.1206       9.559404  -34.06934      43.52577 
1 1 1 5   13  1  o 361.9925 32.64068 28.27323       7.356714  30.72030       7.149454  -16.56116      67.41344 
1 1 1 5   13  2  o 146.5878 54.60750 5.108130       6.758955  3.134205       6.539378  14.19397       89.93587 
1 1 1 5   13  3  o 147.5252 55.61675 12.96014       6.930937  -4.746874      6.944179  107.8208       86.03429 
1 1 1 5   13  4  o 904.9659 20.86120 176.3278       11.56623  187.7637       11.86100  -28.42468      42.07282 
1 1 1 5   13  5  o 774.1047 29.13914 137.6457       14.08400  132.9494       13.85373  13.31982       59.27316 
1 1 1 5   13  6  f 170.2949 65.30199 9.683658       9.592948  2.370132       9.739149  35.10881       105.9358 
1 1 1 5   13  7  o 253.2413 61.44867 20.33237       9.523057  12.64082       9.584588  52.38382       109.7359 
1 1 1 5   13  8  o 187.9672 63.70913 6.959777       8.881221  10.50484       8.815219  -20.71069      104.9461 
1 1 1 5   13  9  f 614.9184 29.68328 100.6212       12.28869  74.58502       10.49955  91.36987       60.55516 
1 1 1 5   13  10 o 315.1342 42.56478 19.18086       7.488639  29.20669       8.912308  -67.17447      88.50045 
1 1 1 5   13  11 o 499.8701 22.56259 50.00392       6.545691  63.14100       7.509516  -58.04144      45.63068 
1 1 1 5   13  12 f 346.4492 27.41676 24.67714       5.533333  29.86695       6.213945  -32.85666      56.13206 
1 1 1 5   13  13 o 639.7466 19.47303 88.03428       7.494270  93.58730       7.964884  -19.13647      39.20591 
1 1 1 5   13  14 o 161.4643 46.23202 4.907486       4.603250  7.792364       5.180903  -28.81778      79.41991 
1 1 1 5   13  15 o 118.7591 43.54472 -2.327289      5.448242  4.864934       3.538822  -33.42013      69.98271 
1 1 1 5   13  16 o 201.9985 47.74030 0.000000       0.000000  9.971170       4.162555  ?              ?        
1 1 1 5   13  17 o 97.90675 42.46766 8.807997       5.914081  -4.366290      4.111297  101.5299       74.08322 
1 1 1 5   13  18 o 118.9893 46.15351 2.216562       5.683877  2.518483       4.325517  9.602234       76.68948 
1 1 1 5   13  19 o 327.5778 26.94838 20.65624       5.315480  28.43978       5.547166  -55.05292      56.18782 
1 1 1 5   13  20 o 258.5932 27.02825 22.94136       4.681992  10.02094       3.953221  112.5885       57.84796 
1 1 1 5   13  21 o 148.5240 38.75237 3.216817       3.643375  7.802739       3.572446  -49.28643      66.35580 
1 1 1 5   13  22 o 132.8114 35.22618 5.706788       3.117991  3.497687       2.805317  26.43306       61.63295 
1 1 1 5   13  23 o 178.2063 36.88567 0.000000       0.000000  8.365537       2.788180  ?              ?        
1 1 1 5   13  24 o 124.3268 35.42017 2.577459       3.070516  5.479031       2.693470  -32.78499      59.33857 
1 1 1 5   13  25 o 144.0065 32.37185 4.060992       3.000243  6.838102       2.670921  -36.98742      58.83234 
1 1 1 5   13  26 o 76.64293 32.12811 -0.6103996E-01 2.614353  2.164216       2.531006  -16.27750      51.54393 
1 1 1 5   13  27 o 79.11341 31.84180 2.077855       2.605320  1.043809       2.231126  10.90839       51.24026 
1 1 1 5   13  28 o 66.79834 29.75083 -0.2883817     2.470679  1.122694       2.509187  -9.274231      47.95928 
1 1 1 5   14  0  o 290.4339 46.59974 19.52619       8.188806  19.83818       8.036667  -2.842407      94.08172 
1 1 1 5   14  1  o 634.4958 24.36623 91.78284       9.589619  86.98322       9.555475  17.35095       49.14827 
1 1 1 5   14  2  o 506.7856 38.33733 0.000000       0.000000  58.12765       8.458908  ?              ?        
1 1 1 5   14  3  o 439.3699 29.22081 44.87764       8.018920  41.62763       7.822494  16.74265       59.47759 
1 1 1 5   14  4  o 471.4501 27.51142 48.35897       8.089205  50.94258       7.934558  -13.07193      55.91037 
1 1 1 5   14  5  f 445.6709 39.19642 0.000000       0.000000  45.38536       7.584366  ?              ?        
1 1 1 5   14  6  o 149.6464 55.75190 11.80458       6.761188  -3.874166      7.108332  93.61348       86.92962 
1 1 1 5   14  7  o 172.8184 55.47818 3.309513       6.660719  10.91594       6.822073  -55.67398      91.30118 
1 1 1 5   14  8  o 240.8014 66.58809 12.42959       10.59727  16.58339       9.990065  -25.63100      115.0331 
1 1 1 5   14  9  o 352.9981 52.36417 27.50929       10.88575  32.06422       11.36839  -27.78143      108.2904 
1 1 1 5   14  10 o 460.5367 40.52702 48.06290       11.28643  49.36118       11.64142  -5.290497      84.31936 
1 1 1 5   14  11 o 502.4911 33.01625 46.64531       8.951384  76.60539       12.29568  -124.9655      67.64805 
1 1 1 5   14  12 o 330.3701 36.20642 24.00348       6.665781  26.34705       8.154332  -10.95187      76.50337 
1 1 1 5   14  13 o 406.1280 31.58792 32.13731       7.673893  43.07367       8.137260  -61.65048      65.25720 
1 1 1 5   14  14 o 216.2790 53.14596 11.47089       5.005166  0.000000       0.000000  ?              ?        
1 1 1 5   14  15 o 366.8103 25.29739 34.55559       6.719040  27.82268       5.066457  36.63330       52.52245 
1 1 1 5   14  16 o 199.1137 46.12744 5.485531       6.498422  12.20526       4.973528  -57.19812      82.13393 
1 1 1 5   14  17 o 162.6284 58.04442 0.000000       0.000000  6.098189       5.228103  ?              ?        
1 1 1 5   14  18 o 104.8762 45.67280 0.5935220      6.622241  -0.5056573     4.896416  22.27970       77.66039 
1 1 1 5   14  19 o 119.1005 45.08921 1.286183       4.636201  4.176466       4.507957  -20.42911      73.65041 
1 1 1 5   14  20 f 164.1783 45.74309 4.474309       4.343462  10.90967       5.531947  -58.62706      79.01798 
1 1 1 5   14  21 o 108.8531 40.52536 0.6985123      3.738545  4.353816       3.585066  -29.18802      65.53007 
1 1 1 5   14  22 o 132.0154 38.58065 3.928156       3.585840  5.104596       3.167453  -12.00002      65.58351 
1 1 1 5   14  23 o 137.2264 34.79823 4.928744       3.190815  5.134830       2.782798  -4.153793      62.09944 
1 1 1 5   14  24 o 141.1847 34.65848 4.204098       3.285493  6.321253       2.798024  -27.32880      61.56368 
1 1 1 5   14  25 o 246.0423 22.20014 12.43118       3.578038  16.57605       3.163833  -49.91037      50.88935 
1 1 1 5   14  26 o 132.7471 34.94296 0.5584277      3.099599  9.056447       2.761874  -89.96484      53.27387 
1 1 1 5   14  27 o 93.23922 34.53175 4.073115       2.891161  1.631750       2.461495  21.81838       55.36346 
1 1 1 5   14  28 o 114.5299 34.04463 4.160960       2.747178  4.292022       2.466879  -3.775681      56.87896 
1 1 1 5   15  0  o 351.6084 42.64753 38.72640       9.163780  18.82783       9.060919  133.4056       91.15477 
1 1 1 5   15  1  o 954.4501 33.99448 0.000000       0.000000  205.1815       14.20917  ?              ?        
1 1 1 5   15  2  o 185.1981 61.07463 8.736927       8.319751  7.199373       7.969927  11.48462       101.7998 
1 1 1 5   15  3  o 304.6300 46.02624 27.57369       8.650910  16.24335       8.218733  83.08061       93.19796 
1 1 1 5   15  4  o 494.5104 28.81598 54.19782       8.822832  55.17845       8.779626  -4.699524      58.51735 
1 1 1 5   15  5  o 459.2756 28.70088 49.04169       8.235487  45.44687       8.039948  17.72076       58.35506 
1 1 1 5   15  6  o 627.8781 33.32822 0.000000       0.000000  88.66470       9.145979  ?              ?        
1 1 1 5   15  7  o 478.9805 27.26067 54.54472       8.199533  48.18940       7.939338  30.14581       55.34383 
1 1 1 5   15  8  o 284.0400 51.64681 7.712192       11.43242  23.98039       7.375520  -109.1980      99.60553 
1 1 1 5   15  9  o 500.5711 25.80043 58.60710       7.876314  53.07065       8.097023  26.11078       52.44152 
1 1 1 5   15  10 o 504.1060 25.41297 57.76886       7.699459  55.52026       8.163253  11.38287       51.64599 
1 1 1 5   15  11 o 312.0418 55.44156 22.80058       10.22902  24.21011       10.45141  -9.059662      110.0996 
1 1 1 5   15  12 o 791.5781 31.79048 150.6707       15.60880  132.0008       15.54817  54.58972       64.80173 
1 1 1 5   15  13 o 386.7187 48.57188 32.83466       10.97855  38.61436       11.86389  -30.97787      102.8218 
1 1 1 5   15  14 o 275.5609 50.75619 18.53485       5.908920  0.000000       0.000000  ?              ?        
1 1 1 5   15  15 o 175.2923 50.16087 7.865955       7.848018  7.521353       4.731556  10.24471       89.28181 
1 1 1 5   15  16 x ?        ?        -40.21520      10.23782  -30.25927      6.143282  ?              ?        
1 1 1 5   15  17 o 251.6016 56.43588 0.000000       0.000000  16.04615       6.074525  ?              ?        
1 1 1 5   15  18 o 442.2333 30.24122 58.68547       10.00563  37.72468       7.175102  94.08850       62.82956 
1 1 1 5   15  19 o 118.2713 45.16345 0.5238780      4.691814  4.901004       4.532907  -30.40514      73.26874 
1 1 1 5   15  20 o 236.0011 31.88292 14.88979       4.666908  11.90757       4.438232  28.01138       67.11557 
1 1 1 5   15  21 o 95.00500 39.49133 -1.571477      3.797730  4.175279       3.878441  -39.85556      64.26160 
1 1 1 5   15  22 o 140.6890 41.11510 7.091761       3.784479  3.773672       3.841855  32.23900       69.09955 
1 1 1 5   15  23 o 136.2284 39.94707 9.291727       3.943895  2.635103       3.323251  62.93386       66.31155 
1 1 1 5   15  24 o 76.25237 33.44038 1.546929       3.240045  -0.4440856     2.857260  16.13885       54.89368 
1 1 1 5   15  25 o 72.01490 32.43454 1.289597       3.489885  -0.5859326     2.743231  16.49502       53.57155 
1 1 1 5   15  26 o 69.22334 31.57566 -0.7101054     3.325115  0.5917734      2.760624  -2.365089      51.00811 
1 1 1 5   15  27 o 68.89757 31.21546 -1.085852      3.115806  1.474792       2.682010  -10.54362      49.79422 
1 1 1 5   15  28 o 119.4618 36.18399 4.979930       3.109280  4.970528       2.747696  -3.627831      59.51883 
1 1 1 5   16  0  o 497.8728 37.36261 54.09065       11.33350  59.00852       11.58035  -22.40643      77.05102 
1 1 1 5   16  1  o 321.2447 48.72449 26.18914       9.552067  22.88691       9.265034  22.42789       100.1486 
1 1 1 5   16  2  o 529.2726 44.88961 65.10297       10.32320  0.000000       0.000000  ?              ?        
1 1 1 5   16  3  o 403.7103 52.55421 0.000000       0.000000  38.72346       9.085644  ?              ?        
1 1 1 5   16  4  o 948.0870 33.20533 0.000000       0.000000  202.6103       13.78752  ?              ?        
1 1 1 5   16  5  o 522.7904 27.98888 60.02017       8.995439  62.43517       9.092633  -10.46793      56.82935 
1 1 1 5   16  6  o 465.1212 30.02219 52.14143       8.724219  45.30343       8.511445  33.66873       61.30849 
1 1 1 5   16  7  o 583.4352 31.00262 66.80055       13.58976  81.55441       9.719287  -71.58228      70.41248 
1 1 1 5   16  8  o 176.1042 58.16304 9.267094       7.264687  5.033899       7.502545  27.49712       96.33947 
1 1 1 5   16  9  o 167.1474 56.56969 11.16639       6.825112  1.136601       7.137193  65.88655       91.10703 
1 1 1 5   16  10 o 241.9517 50.83534 15.53601       6.885254  12.31624       8.016860  27.24413       95.74102 
1 1 1 5   16  11 o 305.3968 36.47363 25.96548       6.466263  16.10451       7.128612  80.05872       78.91878 
1 1 1 5   16  12 o 130.7638 51.23021 -0.6321850     5.624437  7.581454       6.578923  -58.99734      84.40481 
1 1 1 5   16  13 o 99.73387 45.50610 0.6495432      7.397348  -3.723572      5.503813  37.13342       79.54854 
1 1 1 5   16  14 o 210.5330 82.42584 11.11448       11.06044  0.000000       0.000000  ?              ?        
1 1 1 5   16  15 o 610.8022 41.94093 71.67652       14.89390  108.5163       16.88154  -131.6296      88.56203 
1 1 1 5   16  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   16  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   16  18 o 462.2056 31.37794 49.50854       10.04292  49.70982       8.140253  -13.57523      67.34452 
1 1 1 5   16  19 o 361.0743 32.89790 29.18715       7.717765  32.41624       6.922342  -29.06967      71.48650 
1 1 1 5   16  20 o 137.9147 48.00777 4.661861       5.220376  5.337580       4.866264  -4.026932      78.40293 
1 1 1 5   16  21 o 377.9226 25.98741 40.22955       6.791427  29.71308       5.516039  52.28732       54.89481 
1 1 1 5   16  22 o 85.79202 37.66169 0.8896657      3.757701  0.1681551      3.955523  2.453232       61.28298 
1 1 1 5   16  23 o 97.71329 39.48676 2.982124       3.696221  1.615792       3.707550  9.119873       62.98078 
1 1 1 5   16  24 o 179.8524 35.52012 10.31795       4.308987  8.404967       3.470155  7.354645       70.58710 
1 1 1 5   16  25 o 100.0832 38.47754 1.508848       3.621275  4.417076       3.150771  -20.29208      60.02047 
1 1 1 5   16  26 o 92.51970 37.01931 1.099542       3.620854  3.724477       2.927369  -16.19377      57.37531 
1 1 1 5   16  27 o 60.98550 29.12248 -0.8066381     3.443481  -1.075613      2.819740  5.531960       47.59347 
1 1 1 5   16  28 o 60.84305 28.84708 1.627571       3.282956  -1.934918      2.655123  18.87288       47.58850 
1 1 1 5   17  0  o 715.4191 31.76118 95.75410       13.94446  135.9494       14.17873  -130.2380      65.65301 
1 1 1 5   17  1  o 136.1705 59.61795 -3.002182      9.709327  2.155326       9.488509  -18.43291      99.39124 
1 1 1 5   17  2  o 138.0482 59.33509 0.4390180      9.103001  0.8568633      9.205156  -2.491943      98.48754 
1 1 1 5   17  3  o 135.5158 57.10349 -2.911222      7.883947  6.494597       8.535672  -49.03311      94.69424 
1 1 1 5   17  4  o 181.4726 62.27241 7.750866       8.269358  7.787845       8.660067  -1.772690      102.8801 
1 1 1 5   17  5  o 277.4848 52.41536 16.26273       8.641211  21.27467       8.743008  -37.46329      101.9163 
1 1 1 5   17  6  o 467.9527 38.15355 37.41099       13.90667  56.30828       9.357306  -123.8612      97.97606 
1 1 1 5   17  7  o 214.0221 56.31208 9.145933       7.008677  14.57505       8.307070  -41.58286      99.27481 
1 1 1 5   17  8  o 249.1028 51.85580 17.70414       7.495991  12.29257       8.036266  43.55733       97.36537 
1 1 1 5   17  9  o 102.6129 48.75848 -6.646234      7.078996  -5.380405      11.05829  -37.20553      88.11024 
1 1 1 5   17  10 o 118.3656 51.09131 -2.586934      6.562993  3.742309       7.160880  -35.77230      85.37418 
1 1 1 5   17  11 o 274.4407 41.78842 20.55741       6.593905  14.67078       7.229592  51.89293       86.08910 
1 1 1 5   17  12 o 309.2526 39.08361 18.68711       6.919215  27.34407       7.825046  -61.05386      82.03798 
1 1 1 5   17  13 o 196.0841 64.05280 0.000000       0.000000  9.883617       6.336452  ?              ?        
1 1 1 5   17  14 o 242.2137 51.84871 17.75578       7.272025  10.92201       7.874159  55.02078       95.97490 
1 1 1 5   17  15 o 104.2958 46.69545 7.265567       7.695248  -5.246139      5.358157  81.51669       83.40273 
1 1 1 5   17  16 o 499.7643 34.61890 95.39380       15.87987  47.10918       8.570301  167.5085       75.04090 
1 1 1 5   17  17 o 132.6127 56.97886 0.000000       0.000000  1.757038       5.964805  ?              ?        
1 1 1 5   17  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   17  19 o 138.3553 61.63559 -1.486989      11.20343  6.011321       10.24558  -18.89388      98.02639 
1 1 1 5   17  20 o 152.1569 62.16298 11.56466       9.484176  3.166425       9.112388  32.51323       97.05119 
1 1 1 5   17  21 o 113.4394 47.78028 1.040253       4.622395  8.736277       8.419868  -44.35626      81.47564 
1 1 1 5   17  22 o 97.93374 42.91770 -3.768747      4.615920  9.370302       5.456648  -67.83151      70.62350 
1 1 1 5   17  23 o 97.96152 42.86679 4.596211       5.434932  0.8532951E-01  4.584590  23.31532       68.48971 
1 1 1 5   17  24 o 143.4674 50.48685 4.829955       5.787755  11.43247       5.387240  -39.23119      77.20700 
1 1 1 5   17  25 o 68.38176 33.77886 0.000000       0.000000  -3.563177      3.692293  ?              ?        
1 1 1 5   17  26 f 105.2263 40.00906 4.165294       3.909331  4.154064       3.367370  -1.437538      61.71315 
1 1 1 5   17  27 o 70.52814 32.22769 2.968970       3.482921  -0.8532215     2.892751  20.28344       51.63024 
1 1 1 5   17  28 o 73.71868 34.80475 0.000000       0.000000  1.028898       2.946057  ?              ?        
1 1 1 5   18  0  o 146.9685 62.25656 -1.133072      9.959023  5.397615       9.685908  -24.78505      101.8818 
1 1 1 5   18  1  o 506.8034 35.44575 65.12324       11.45342  53.58558       10.72850  50.43927       73.34270 
1 1 1 5   18  2  o 304.3521 57.61039 36.39539       10.78332  10.80759       10.19799  165.3495       104.7938 
1 1 1 5   18  3  o 255.5030 60.98072 26.18067       9.689697  7.154901       9.378681  127.2754       103.8031 
1 1 1 5   18  4  o 569.7574 37.52662 72.96899       16.37704  74.93238       11.34560  -29.28375      84.87663 
1 1 1 5   18  5  o 132.2402 58.63039 2.013340       9.325616  -4.207560      9.811049  19.56920       97.82168 
1 1 1 5   18  6  o 620.2706 28.77899 69.09207       10.07081  113.2695       12.36497  -155.2717      58.63858 
1 1 1 5   18  7  o 105.6211 49.70501 -4.643876      7.683737  -6.109256      9.289780  -9.358543      85.92357 
1 1 1 5   18  8  o 80.75349 40.46571 -13.05347      7.001980  -26.59877      12.71504  -25.06268      76.56165 
1 1 1 5   18  9  o 136.9862 57.32700 1.817498       7.991343  2.096635       8.354351  -3.786804      94.33147 
1 1 1 5   18  10 o 328.0291 39.94104 24.20089       7.545715  26.56417       8.450971  -12.04883      84.48524 
1 1 1 5   18  11 o 440.4144 32.25159 38.69950       8.356410  51.22255       9.204985  -63.02219      66.70007 
1 1 1 5   18  12 o 230.7260 51.64844 11.27510       7.051922  15.38189       7.373942  -32.65918      95.30183 
1 1 1 5   18  13 o 139.9536 59.78067 0.000000       0.000000  1.564862       6.495255  ?              ?        
1 1 1 5   18  14 o 98.17955 48.40829 0.000000       0.000000  -13.67951      7.462274  ?              ?        
1 1 1 5   18  15 o 97.94314 46.02062 -28.32638      10.58948  3.113858       5.732532  -39.51495      77.04543 
1 1 1 5   18  16 o 162.3349 59.68901 -7.885825      12.09038  10.61004       6.293531  -53.64154      92.96775 
1 1 1 5   18  17 o 164.0255 62.97666 0.000000       0.000000  7.198143       6.361701  ?              ?        
1 1 1 5   18  18 o 101.9906 49.17932 0.000000       0.000000  -6.002029      6.571203  ?              ?        
1 1 1 5   18  19 o 104.6245 45.96507 -4.796307      6.686026  4.291251       5.120631  -28.80893      73.79385 
1 1 1 5   18  20 o 147.6849 46.95523 9.885123       4.827003  3.012818       4.847351  54.05402       75.78133 
1 1 1 5   18  21 f 72.85545 35.80463 -5.698863      4.433629  -2.666767      8.955765  -33.22893      65.37597 
1 1 1 5   18  22 o 93.43636 45.73802 -5.757340      9.210550  -1.227904      8.605194  -5.848709      72.89084 
1 1 1 5   18  23 f 104.0028 49.41151 8.303348       9.057248  -2.714834      8.297626  22.72346       75.89947 
1 1 1 5   18  24 o 134.1762 57.17070 9.475295       8.477039  13.09726       8.255636  -10.26996      80.46006 
1 1 1 5   18  25 o 70.48860 34.75439 -3.022144      4.493777  -1.960779      7.434166  -12.30610      56.75219 
1 1 1 5   18  26 o 83.16899 37.57520 4.444785       4.356047  0.3690080      3.936761  16.14416       57.55491 
1 1 1 5   18  27 f 70.42104 33.52005 1.177578       4.398072  -0.2805977     3.724861  6.335449       52.17360 
1 1 1 5   19  0  o 130.2689 58.42744 -1.958222      9.521254  1.275561       10.06733  -14.00856      96.45418 
1 1 1 5   19  1  o 343.1537 49.70894 29.83747       10.01640  28.48229       10.55151  13.41458       105.3275 
1 1 1 5   19  2  o 259.3972 69.32433 33.39464       14.18811  11.35766       9.755553  117.1542       122.5177 
1 1 1 5   19  3  o 207.1140 73.18115 -6.257343      14.53288  19.71386       10.09622  -96.32373      111.9482 
1 1 1 5   19  4  o 284.7452 55.94020 15.30306       8.842836  27.25603       10.40261  -78.62985      107.2019 
1 1 1 5   19  5  x ?        ?        -36.49370      9.016210  -49.51080      10.48482  ?              ?        
1 1 1 5   19  6  o 236.5589 71.27965 14.92284       9.586831  14.67086       14.54611  -1.980484      122.7107 
1 1 1 5   19  7  o 124.5968 57.56609 -8.039547      8.465425  8.608296       15.02743  -92.48869      108.1850 
1 1 1 5   19  8  o 461.3055 49.65507 51.07878       9.889353  0.000000       0.000000  ?              ?        
1 1 1 5   19  9  o 151.3176 59.19086 13.57816       7.938899  -5.658110      8.187612  99.81721       92.75256 
1 1 1 5   19  10 o 82.09415 40.68421 -9.210630      7.594209  -14.74054      8.026210  8.303642       73.14018 
1 1 1 5   19  11 o 162.9331 69.77022 3.059715       8.887517  0.000000       0.000000  ?              ?        
1 1 1 5   19  12 o 395.7624 53.73596 0.000000       0.000000  39.14267       9.087515  ?              ?        
1 1 1 5   19  13 o 156.8012 63.97668 0.000000       0.000000  4.619946       6.948855  ?              ?        
1 1 1 5   19  14 o 220.5744 54.15785 10.29793       7.462899  15.27344       7.251496  -38.67450      96.66137 
1 1 1 5   19  15 o 184.1107 59.01766 13.84779       11.33957  8.135688       6.133361  32.79132       103.5925 
1 1 1 5   19  16 o 117.3462 52.51199 6.984944       12.65087  -1.445012      6.180724  57.58890       94.48489 
1 1 1 5   19  17 f 121.9184 52.98645 0.9006708      9.767672  2.427923       6.269840  10.15004       86.70339 
1 1 1 5   19  18 o 123.2437 56.64318 0.000000       0.000000  0.9648119      7.009405  ?              ?        
1 1 1 5   19  19 o 113.7149 48.55202 -2.045405      7.039317  5.396720       5.393111  -25.16171      76.45329 
1 1 1 5   19  20 f 124.1568 47.96244 5.449917       5.676567  4.403850       4.892487  6.369110       75.63096 
1 1 1 5   19  21 o 78.77990 37.05929 -3.679285      4.492261  1.881412       4.818406  -22.61929      61.27928 
1 1 1 5   19  22 o 106.6830 43.86073 2.954139       4.650561  4.149359       4.676131  -6.333199      68.17894 
1 1 1 5   19  23 o 97.31451 41.75680 4.084252       4.294615  1.605413       4.782933  10.75513       64.16029 
1 1 1 5   19  24 o 73.24893 35.03007 -3.673640      4.345250  3.044782       4.670447  -21.67658      56.49527 
1 1 1 5   19  25 o 61.15118 30.23081 -5.122657      4.277647  -1.274286      4.148343  -8.476456      49.78623 
1 1 1 5   19  26 o 79.26795 39.65047 8.617270       8.738104  -5.688089      7.677445  15.80577       59.61408 
1 1 1 5   19  27 o 69.09446 35.08178 -5.011957      8.496873  -2.471421      7.365193  -0.6519241     53.31995 
1 1 1 5   20  0  o 126.3891 59.39027 -5.145640      15.05085  -2.512114      10.12006  15.50838       99.02447 
1 1 1 5   20  1  o 118.1429 56.16512 10.87456       14.01341  -13.15723      9.618318  81.22171       101.9510 
1 1 1 5   20  2  o 172.2173 63.39161 12.37935       8.292777  1.617939       9.685892  50.27664       100.4659 
1 1 1 5   20  3  o 157.9802 63.22389 7.408402       8.434901  2.053309       10.77250  13.85843       101.6618 
1 1 1 5   20  4  o 264.8169 58.57935 16.99701       8.453996  21.11997       10.66008  -18.39238      110.7497 
1 1 1 5   20  5  o 180.8669 68.14785 1.349253       10.13834  15.94999       10.71051  -69.90704      109.2044 
1 1 1 5   20  6  o 388.2870 72.35722 41.96974       11.87027  0.000000       0.000000  ?              ?        
1 1 1 5   20  7  o 100.9699 48.61992 -8.309937      8.525456  -6.682019      9.584410  -12.42053      84.37746 
1 1 1 5   20  8  o 188.9122 62.05139 5.436857       8.291701  13.65139       8.522548  -50.57770      101.6737 
1 1 1 5   20  9  o 115.0992 52.44053 -2.942441      8.121386  -0.7504541     8.394243  -9.778152      87.76588 
1 1 1 5   20  10 o 135.2467 56.62081 0.5792392      7.698190  4.683248       8.276073  -22.09987      92.55923 
1 1 1 5   20  11 o 122.8807 53.22230 1.715959       7.556748  0.2531456      7.397598  7.414658       87.40168 
1 1 1 5   20  12 o 136.2583 54.79101 1.848702       7.368897  5.026980       6.838772  -13.59920      88.67087 
1 1 1 5   20  13 o 158.7303 61.42740 5.353774       8.521170  7.328122       8.697774  -10.06343      98.62965 
1 1 1 5   20  14 o 152.4698 58.15963 11.50030       8.056862  1.496549       7.281899  55.29898       93.51654 
1 1 1 5   20  15 o 100.5752 46.92118 -13.53446      11.41416  0.4197702      5.681084  1.317513       79.14805 
1 1 1 5   20  16 o 133.5385 56.69559 4.246616       12.61586  3.832088       6.503343  17.40060       93.20816 
1 1 1 5   20  17 o 109.8271 49.85933 1.385592       9.471120  0.1601316      6.251801  17.62531       81.91784 
1 1 1 5   20  18 o 103.3913 48.96091 0.000000       0.000000  -1.534574      5.912575  ?              ?        
1 1 1 5   20  19 o 81.85540 39.45810 3.788837       7.349800  -6.329149      5.158509  40.07090       69.00391 
1 1 1 5   20  20 o 98.66346 44.43913 -0.9775361     6.313870  3.687898       5.277457  -13.33492      69.48087 
1 1 1 5   20  21 o 96.60954 42.61244 0.2410846E-01  4.907215  4.309923       5.070451  -18.78315      66.92870 
1 1 1 5   20  22 o 88.57338 40.15185 1.918544       4.701875  1.143975       4.828604  2.575104       62.51954 
1 1 1 5   20  23 o 80.56086 38.09984 1.886619       4.601335  -1.544715      5.612323  6.640038       59.17456 
1 1 1 5   20  24 o 87.53967 39.63442 -0.8541484     4.411856  6.767737       4.871937  -27.92195      61.10418 
1 1 1 5   20  25 o 95.32485 41.46808 1.159420       4.484491  8.347886       4.680585  -26.80130      61.29467 
1 1 1 5   20  26 f 80.48804 37.66558 2.877715       4.960329  2.492958       4.465855  1.033806       55.60881 
1 1 1 5   21  0  o 161.0857 69.05856 5.564818       11.19072  11.69354       13.93576  -19.21922      107.4522 
1 1 1 5   21  1  o 118.0232 56.54558 -3.670544      10.48461  -6.014284      13.90736  -8.744461      92.98313 
1 1 1 5   21  2  o 94.67077 46.28759 -3.519248      8.382431  -15.37561      9.849439  15.21613       79.30713 
1 1 1 5   21  3  o 140.4301 60.12656 0.2379189      8.459614  8.286650       10.54619  -37.47723      98.01511 
1 1 1 5   21  4  o 108.1390 51.90480 -9.897502      8.197796  5.064039       14.41840  -65.46394      95.98597 
1 1 1 5   21  5  o 141.0535 65.87799 -1.779351      10.07060  0.000000       0.000000  ?              ?        
1 1 1 5   21  6  o 126.1258 58.69140 1.644038       9.812505  -10.01827      13.21086  11.78345       96.38156 
1 1 1 5   21  7  o 131.9961 58.64634 5.357496       8.651058  -6.180318      10.99499  25.51305       94.77448 
1 1 1 5   21  8  o 221.8901 62.18380 12.21274       8.426180  16.61378       9.465231  -25.19014      107.2099 
1 1 1 5   21  9  o 211.5540 63.58428 9.932580       8.574924  17.03678       9.533744  -41.21687      106.8307 
1 1 1 5   21  10 o 228.5823 60.76238 9.954206       8.442605  20.96969       9.122757  -70.04749      104.6543 
1 1 1 5   21  11 o 163.1114 59.76131 2.656976       7.913226  12.07399       7.892365  -50.96733      95.27168 
1 1 1 5   21  12 o 321.8544 44.29591 28.56717       8.799750  24.95050       8.431094  22.57108       96.40888 
1 1 1 5   21  13 o 136.8892 57.57793 -1.102647      8.039586  9.909857       8.594583  -47.22047      92.23589 
1 1 1 5   21  14 o 92.77403 43.96456 7.093040       8.013770  -8.841420      5.962717  67.02466       79.18745 
1 1 1 5   21  15 o 135.8058 54.85805 -1.570277      11.79690  6.563905       5.587831  -12.95436      87.10308 
1 1 1 5   21  16 o 98.99619 47.23602 11.17903       12.50827  -6.485783      6.425404  62.73702       86.64437 
1 1 1 5   21  17 f 119.0344 52.51970 7.868375       10.71572  1.906165       6.190620  25.19905       84.89067 
1 1 1 5   21  18 o 110.1801 51.14149 0.000000       0.000000  2.407086       5.922625  ?              ?        
1 1 1 5   21  19 o 135.9699 55.52882 12.25436       9.428421  6.133960       6.304503  14.29407       84.44471 
1 1 1 5   21  20 o 84.51254 40.36204 -6.368073      6.497520  2.674921       5.489105  -19.42410      64.70222 
1 1 1 5   21  21 o 73.82327 35.62835 -2.655569      4.758890  -0.6443915     5.061530  -7.133049      57.69485 
1 1 1 5   21  22 o 93.87204 43.77848 3.518022       4.967993  1.255853       9.693475  1.819534       65.68396 
1 1 1 5   21  23 o 80.45296 37.76962 -2.310176      4.664783  5.381330       4.912909  -23.63545      58.74013 
1 1 1 5   21  24 o 74.56279 35.93084 -4.237530      4.656217  6.328122       5.286981  -27.55196      57.05207 
1 1 1 5   21  25 o 75.56252 36.31958 3.855982       4.713336  -1.408163      5.283834  11.22441       54.47541 
1 1 1 5   21  26 o 70.61716 34.17919 5.298841       4.719848  -2.505904      4.477021  17.79393       52.01360 
1 1 1 5   22  0  f 119.8353 58.97989 -6.171457      15.26782  -8.660830      15.60190  2.256897       94.44251 
1 1 1 5   22  1  o 124.2516 60.89157 -5.719178      15.89044  -7.858407      15.90448  2.694366       97.47754 
1 1 1 5   22  2  o 118.6511 55.70196 4.693316       9.630466  -9.155647      11.40254  25.18719       89.50661 
1 1 1 5   22  3  o 153.9657 70.77616 6.812227       10.95056  0.000000       0.000000  ?              ?        
1 1 1 5   22  4  o 118.1209 58.05785 -8.918961      10.45834  0.000000       0.000000  ?              ?        
1 1 1 5   22  5  o 144.6890 64.06490 1.139379       10.51989  8.716279       12.48283  -25.25888      101.5373 
1 1 1 5   22  6  o 155.9844 64.87678 8.658119       9.963242  4.625624       10.82017  12.81609       101.4590 
1 1 1 5   22  7  o 139.3707 61.03111 1.883757       9.391673  5.887271       10.89938  -16.97379      97.22742 
1 1 1 5   22  8  o 167.0772 66.33878 11.48571       9.762366  5.454866       10.84251  22.44212       103.3727 
1 1 1 5   22  9  o 117.1074 53.49231 -1.214238      7.834906  1.713280       9.815802  -17.91422      87.58212 
1 1 1 5   22  10 f 159.6274 59.35510 11.83604       7.338304  2.317021       8.474630  46.60806       92.81167 
1 1 1 5   22  11 o 159.5894 59.87970 5.497587       8.016711  10.45429       8.025299  -24.41676      94.58835 
1 1 1 5   22  12 o 99.22572 46.61932 -2.304168      7.516019  -1.983116      7.126355  1.334831       76.79379 
1 1 1 5   22  13 o 93.36848 44.96613 -6.376542      8.036577  -2.460686      7.423884  -6.046082      74.74854 
1 1 1 5   22  14 o 97.80647 45.68447 -0.5488617     8.726110  -1.421395      5.825423  16.99799       75.86120 
1 1 1 5   22  15 o 116.4552 51.73448 -8.440341      13.42728  5.029331       5.754090  -10.98782      81.04482 
1 1 1 5   22  16 o 116.3239 52.94905 3.230220       13.01319  3.672497       6.666121  6.116699       82.35691 
1 1 1 5   22  17 o 95.49037 45.73139 -1.799498      10.23024  -0.3789894     6.462699  7.571045       72.84222 
1 1 1 5   22  18 o 113.2965 53.19175 0.000000       0.000000  3.949502       6.711198  ?              ?        
1 1 1 5   22  19 o 81.41801 40.23708 -2.920699      9.303765  -4.805219      6.378129  12.66150       65.57188 
1 1 1 5   22  20 o 92.53143 43.47332 -0.5571159     7.338027  3.236339       5.690051  -6.495842      66.26742 
1 1 1 5   22  21 o 100.6893 44.56398 3.082541       5.433266  5.887478       5.567049  -9.293747      66.09669 
1 1 1 5   22  22 o 65.66333 32.56543 -2.415983      4.890731  -3.629562      5.188969  1.127403       52.23929 
1 1 1 5   22  23 o 77.63445 38.36591 0.1233655E-02  4.781274  0.000000       0.000000  ?              ?        
1 1 1 5   22  24 o 72.62527 35.51763 0.9580582      4.800544  0.3382927      6.070582  -0.4089890     53.40459 
1 1 1 5   22  25 o 70.43799 34.30201 0.8600736      4.682844  1.396240       4.965969  -1.344170      51.19665 
1 1 1 5   23  0  o 115.9826 54.61433 -1.761336      9.355359  4.352107       11.15302  -16.95999      86.21085 
1 1 1 5   23  1  o 103.9187 50.99554 -9.068851      9.093820  3.876881       16.52153  -37.09243      87.14692 
1 1 1 5   23  2  o 111.1120 54.69665 -9.319719      11.11624  0.4423906      17.60428  -26.78293      90.15577 
1 1 1 5   23  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   23  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   23  5  o 123.1008 58.34558 -8.145458      11.12384  11.09671       12.92714  -41.44079      94.12498 
1 1 1 5   23  6  o 158.6693 66.20467 9.120812       10.23933  10.94666       11.57043  -4.570541      100.1444 
1 1 1 5   23  7  o 133.8806 60.59164 8.306760       10.35499  0.1438271      11.29848  18.62428       93.20454 
1 1 1 5   23  8  o 120.2991 56.32062 12.86437       10.48701  -11.03007      10.54073  54.58613       90.69161 
1 1 1 5   23  9  o 120.8007 55.69471 -3.632553      9.963952  6.838122       9.436876  -24.87456      87.51791 
1 1 1 5   23  10 o 87.81841 43.04734 -2.899999      8.000315  -9.306215      7.920382  13.60246       72.15918 
1 1 1 5   23  11 o 109.9758 51.00695 7.810311       9.161285  -4.229928      7.654646  37.49696       82.78706 
1 1 1 5   23  12 o 111.0565 51.01723 3.780456       7.803799  -0.7571750     8.272857  11.40668       80.01202 
1 1 1 5   23  13 o 102.2026 48.11369 -6.665092      9.076318  4.002714       7.027802  -18.76318      75.94713 
1 1 1 5   23  14 o 165.6944 59.16921 14.42970       10.75329  10.46285       6.296242  -4.483490      91.49891 
1 1 1 5   23  15 o 105.0271 48.72759 11.11853       14.47431  0.2660912      5.779504  29.21005       80.71060 
1 1 1 5   23  16 o 121.3744 54.72044 5.266832       11.99136  5.978089       7.173996  -1.453773      82.00372 
1 1 1 5   23  17 o 106.2902 49.74889 7.776635       10.92466  1.170097       6.834760  16.07726       76.78428 
1 1 1 5   23  18 o 100.9632 49.07353 0.000000       0.000000  2.383632       6.882832  ?              ?        
1 1 1 5   23  19 o 87.85564 43.00407 7.907385       9.964529  -3.706941      6.694020  21.35452       67.50871 
1 1 1 5   23  20 o 83.92919 40.94419 3.992803       9.340530  -0.6832104     5.779397  10.84122       62.86266 
1 1 1 5   23  21 f 78.94788 38.22873 1.617627       6.086331  -0.1053748     5.486712  4.468277       58.20128 
1 1 1 5   23  22 o 78.28104 37.60651 -1.736504      5.229784  4.546130       5.408654  -14.46896      57.17913 
1 1 1 5   23  23 f 67.57394 33.43060 1.399556       5.180096  -2.841972      5.188871  7.345177       51.32754 
1 1 1 5   23  24 o 59.09749 29.92413 -0.1135559     5.269399  -9.051839      5.700991  9.606846       47.36812 
1 1 1 5   24  0  o 96.84004 48.20018 -7.000026      9.313623  -11.41560      16.22737  -13.11634      78.97485 
1 1 1 5   24  1  o 118.5725 56.97378 2.021482       9.971292  -0.8339113     17.29856  -4.990944      87.89197 
1 1 1 5   24  2  o 116.8610 56.06041 -0.1450161     11.20582  3.210901       12.31327  -6.875160      86.04881 
1 1 1 5   24  3  o 112.2912 54.14345 -2.342308      11.30276  1.265173       11.21854  -5.774094      84.30922 
1 1 1 5   24  4  o 156.2412 66.55274 18.49269       10.90726  3.620695       11.80322  39.95029       98.18832 
1 1 1 5   24  5  o 139.6622 62.37704 8.708027       10.29738  6.189787       11.93123  5.895844       93.25279 
1 1 1 5   24  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   24  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   24  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   24  9  o 92.39687 45.07168 -2.508305      8.579539  -6.387225      8.264951  8.968430       73.74239 
1 1 1 5   24  10 o 140.7236 58.68012 8.181297       8.985445  7.437261       8.105176  1.875931       88.75270 
1 1 1 5   24  11 o 107.0251 49.81867 6.846423       8.022498  -4.486981      8.050376  29.61462       78.75303 
1 1 1 5   24  12 o 99.04240 47.05854 0.3740413      8.008141  -1.286823      7.703014  4.839539       74.46588 
1 1 1 5   24  13 o 106.2848 48.84859 4.839866       8.661820  0.7085909      6.527402  15.21108       76.54132 
1 1 1 5   24  14 o 83.62082 41.24924 -11.28587      12.00463  -3.002414      6.102510  8.513603       67.80028 
1 1 1 5   24  15 o 106.8064 49.84014 19.61765       14.91968  0.6435378      6.223693  28.96021       79.69158 
1 1 1 5   24  16 o 104.7402 49.58772 -0.2014860     11.47427  5.420872       7.133155  -7.195335      73.60111 
1 1 1 5   24  17 o 111.7702 51.36381 12.10218       10.85894  4.796108       6.796829  8.874115       74.86625 
1 1 1 5   24  18 o 79.37806 40.15595 0.000000       0.000000  -5.851455      6.867753  ?              ?        
1 1 1 5   24  19 o 96.65232 46.45162 7.306700       10.32410  4.914043       6.923127  1.007965       66.48677 
1 1 1 5   24  20 o 78.76820 39.34192 0.2646684      10.01136  -1.566554      6.727845  5.473541       59.72556 
1 1 1 5   24  21 o 66.21158 33.24671 -4.665522      6.768828  -2.438182      5.450222  0.3977432      52.02698 
1 1 1 5   24  22 o 70.08823 34.59528 -1.532560      5.317534  1.979712       5.572577  -6.190788      52.28581 
1 1 1 5   24  23 o 64.82401 32.90198 -0.9179459     5.547232  -9.065804      10.13189  0.3789978      49.86894 
1 1 1 5   25  0  o 169.0968 66.34783 14.54733       10.05282  16.05124       10.25717  -3.693771      95.93522 
1 1 1 5   25  1  o 91.88560 45.36739 -9.687553      9.210404  0.6611716      9.558413  -16.78735      73.10862 
1 1 1 5   25  2  o 111.0551 53.90593 -1.364481      11.11710  4.354386       12.24461  -9.253960      82.09349 
1 1 1 5   25  3  o 131.2288 60.49507 6.813177       10.85369  8.714615       12.10181  -3.202667      89.04468 
1 1 1 5   25  4  o 109.6320 53.10390 1.074538       10.62701  0.5626022      11.74414  -0.6805344     81.08810 
1 1 1 5   25  5  o 114.2985 54.67739 7.096369       10.61927  -1.345090      11.37678  12.94585       82.38991 
1 1 1 5   25  6  o 106.4415 51.58987 -7.309211      10.09468  9.469851       11.09308  -28.01046      80.68869 
1 1 1 5   25  7  o 93.69048 47.67361 -15.92087      10.68954  0.000000       0.000000  ?              ?        
1 1 1 5   25  8  o 141.5433 60.08230 9.494950       9.225527  10.39208       9.130457  -2.748642      87.82903 
1 1 1 5   25  9  o 110.1506 54.11064 0.000000       0.000000  1.038288       9.044700  ?              ?        
1 1 1 5   25  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   25  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   25  12 o 84.58099 42.14064 -12.26982      9.300295  0.1260696      8.411855  -14.20429      67.62292 
1 1 1 5   25  13 o 100.7293 47.36090 2.358412       9.372460  2.764512       6.524106  2.011589       71.87446 
1 1 1 5   25  14 o 99.90269 47.56421 12.34671       14.01903  1.095664       6.278343  16.45770       73.30636 
1 1 1 5   25  15 o 101.6144 52.11459 5.221758       15.22126  0.000000       0.000000  ?              ?        
1 1 1 5   25  16 o 96.62293 46.58160 13.52525       12.12591  1.252127       6.735575  14.14088       69.28291 
1 1 1 5   25  17 o 79.34349 40.09668 0.000000       0.000000  -3.842808      6.740029  ?              ?        
1 1 1 5   25  18 o 81.91798 41.36808 0.000000       0.000000  -1.638964      7.098637  ?              ?        
1 1 1 5   25  19 o 70.57726 35.93257 -11.25302      10.67075  -4.235783      7.501827  0.5509186E-01  55.72178 
1 1 1 5   25  20 o 79.64684 39.85110 10.80819       10.44884  -0.6511730     7.050894  9.553215       57.96958 
1 1 1 5   25  21 o 80.41031 40.00868 -0.1485848E-01 8.158614  8.287272       7.561121  -8.783844      56.95538 
1 1 1 5   25  22 o 74.99582 36.80788 5.501808       5.887567  0.9455892      5.865633  6.729935       52.90029 
1 1 1 5   26  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   26  2  o 113.4659 55.01338 -0.7186072     11.36731  11.54095       12.83182  -15.83730      81.55403 
1 1 1 5   26  3  o 103.2275 50.90104 -2.162365      11.24590  2.102850       12.15845  -5.945244      77.27245 
1 1 1 5   26  4  o 94.48509 47.21663 4.153494       11.20150  -13.28727      11.69657  17.37390       73.68815 
1 1 1 5   26  5  o 96.82737 48.00752 5.241028       10.68911  -10.28520      11.14322  17.65820       74.38772 
1 1 1 5   26  6  o 144.3823 64.92510 11.97917       11.27870  19.81441       13.30396  -8.449699      90.15303 
1 1 1 5   26  7  o 96.75431 47.08321 7.557150       9.268184  -7.692034      8.813350  26.36277       73.99171 
1 1 1 5   26  8  o 96.59922 46.65222 1.901123       8.662163  -0.7121747     8.237719  5.367729       71.61370 
1 1 1 5   26  9  o 92.46732 45.08447 0.7834098      8.636599  -1.453566      8.170986  4.515778       69.45947 
1 1 1 5   26  10 o 100.0175 48.10556 2.851470       9.028835  2.538573       8.512897  0.8764801      71.88737 
1 1 1 5   26  11 o 80.78381 40.34664 -5.680620      9.078439  -3.729837      7.694274  0.9703064      63.69048 
1 1 1 5   26  12 o 80.86934 40.19744 -11.04341      9.036935  1.565107       7.018334  -12.08108      63.07648 
1 1 1 5   26  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   26  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   26  15 o 89.47549 46.05048 -4.076171      13.17715  0.000000       0.000000  ?              ?        
1 1 1 5   26  16 o 76.14364 38.44944 -13.57557      11.94508  -0.9396919     7.136130  -2.729424      59.20656 
1 1 1 5   26  17 o 78.25227 39.69216 0.000000       0.000000  -1.890149      7.004546  ?              ?        
1 1 1 5   26  18 f 77.25202 39.19513 0.000000       0.000000  0.3551339      6.860698  ?              ?        
1 1 1 5   26  19 o 67.08493 34.22000 -10.26568      10.41702  -2.755780      6.951970  -0.4950104     52.25386 
1 1 1 5   26  20 o 75.01955 37.88201 3.582482       10.44018  2.283208       7.235806  0.8350754      54.38409 
1 1 1 5   26  21 o 68.30546 35.11937 0.000000       0.000000  -1.437467      7.423395  ?              ?        
1 1 1 5   27  4  o 103.0570 50.76454 8.180210       11.23560  -2.678351      11.81033  11.68910       75.00857 
1 1 1 5   27  5  o 79.18262 40.12648 -5.315884      9.984756  -13.89655      9.951654  7.982124       64.28063 
1 1 1 5   27  6  o 96.05049 47.05374 2.303859       9.514417  -0.1170241     9.418667  3.415062       70.78963 
1 1 1 5   27  7  o 98.47154 47.69349 6.551355       9.274896  -0.6145634     8.717644  11.32037       71.19921 
1 1 1 5   27  8  o 91.14329 44.87179 14.36807       9.668501  -9.982726      8.378224  35.42930       70.73699 
1 1 1 5   27  9  o 89.52647 44.27960 2.286354       9.462159  -1.451550      8.730230  5.342834       66.68222 
1 1 1 5   27  10 o 78.64172 39.62047 2.134384       9.481880  -10.67661      8.426592  15.21666       62.49119 
1 1 1 5   27  11 o 97.75061 47.26109 6.976652       10.02790  3.810586       7.824189  3.637604       68.34319 
1 1 1 5   27  12 o 76.00360 38.11731 4.991551       9.005362  -8.460667      6.940235  19.47466       60.59446 
1 1 1 5   27  13 o 84.09157 41.45871 0.1745879      13.94060  1.534916       5.946508  2.803322       61.96848 
1 1 1 5   27  14 o 94.59785 46.09064 10.80546       16.02057  6.067415       6.689176  -2.457306      64.84736 
1 1 1 5   27  15 o 81.81099 42.33505 -3.020713      13.84153  0.000000       0.000000  ?              ?        
1 1 1 5   27  16 o 81.34320 41.24681 0.000000       0.000000  2.411381       7.523704  ?              ?        
1 1 1 5   27  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   27  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   27  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 5   28  8  o 96.00717 48.57006 5.381399       10.05290  0.000000       0.000000  ?              ?        
1 1 1 5   28  9  o 79.58092 40.10083 -10.48341      9.226615  3.834778       9.070317  -13.49699      61.71076 
1 1 1 5   28  10 o 105.9629 51.04667 5.726484       10.44515  14.99774       9.529948  -12.43047      70.08318 
1 1 1 5   28  11 o 73.65704 37.09693 -7.889405      9.136049  -1.089774      6.882459  -2.944061      57.19270 
1 1 1 5   28  12 o 74.55163 37.56266 -4.681192      10.62655  -1.745751      6.699450  2.324463       57.27143 
1 1 1 5   28  13 o 75.16309 37.97785 -5.248013      15.57512  -1.175099      6.542216  3.919777       57.25626 
1 1 1 5   28  14 o 82.04404 40.84729 12.93836       16.67808  2.184752       6.207996  4.067871       59.07742 
1 1 1 5   28  15 o 77.75082 40.25104 0.8444840      12.78542  0.000000       0.000000  ?              ?        
1 1 1 5   28  16 o 73.35340 38.01146 -4.987793      12.02785  0.000000       0.000000  ?              ?        
1 1 1 6   -24 0  o 78.58842 37.72271 -3.530081      5.442549  1.433553       5.214039  -12.29617      60.14845 
1 1 1 6   -24 1  o 97.17944 43.77881 1.864803       5.346307  3.984730       5.802694  -7.724876      66.90154 
1 1 1 6   -24 2  f 94.37865 43.58384 2.449511       5.836349  1.922811       6.110349  1.098381       66.60657 
1 1 1 6   -24 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   -23 0  o 102.7257 47.49537 0.000000       0.000000  2.465215       5.033965  ?              ?        
1 1 1 6   -23 1  o 145.4859 49.60617 11.76987       5.490809  4.687210       5.247983  42.59173       77.68950 
1 1 1 6   -23 2  o 92.64767 42.83553 1.543829       5.603705  0.8541955      5.997472  1.036873       66.79102 
1 1 1 6   -23 3  o 91.68410 42.40146 2.651582       5.565158  -0.8072518     5.801059  10.31275       66.48317 
1 1 1 6   -23 4  o 93.18176 44.26536 -0.8914853     9.794288  0.6593813      5.670537  6.573051       69.87295 
1 1 1 6   -23 5  o 92.62023 42.98834 -4.491028      5.743016  7.233627       6.107359  -38.32471      68.96698 
1 1 1 6   -22 0  o 72.44085 35.11962 0.9323652      5.062486  -6.772884      4.754508  25.54408       59.79890 
1 1 1 6   -22 1  o 82.13528 38.61021 -1.555043      4.971754  -0.2821504     5.086321  -5.035072      62.69925 
1 1 1 6   -22 2  o 78.05762 37.12717 -5.305380      5.024047  1.656061       4.808718  -21.64421      61.29573 
1 1 1 6   -22 3  o 95.83926 43.43479 1.086401       5.438246  1.151733       5.713270  -1.328865      68.79697 
1 1 1 6   -22 4  f 82.22497 39.26420 -2.220714      5.647308  -1.465989      5.568950  -1.765572      63.97287 
1 1 1 6   -22 5  o 88.33686 41.43569 -2.465594      5.583085  2.129749       5.904162  -15.73207      66.57196 
1 1 1 6   -22 6  o 110.2964 47.33298 -0.6678498     5.708736  8.277431       5.912570  -38.22501      73.84885 
1 1 1 6   -22 7  o 91.88320 42.70011 -2.408768      5.765598  3.357998       5.972055  -19.25586      68.12331 
1 1 1 6   -21 0  o 123.6941 53.14742 -1.111526      7.332494  9.564213       7.346193  -40.77628      83.13682 
1 1 1 6   -21 1  o 113.8041 50.88414 9.913376       7.663182  -3.791400      7.086150  48.85298       81.44093 
1 1 1 6   -21 2  o 81.05019 38.04207 -1.091035      4.953714  -1.827010      4.750551  4.256157       62.85504 
1 1 1 6   -21 3  o 78.21134 37.39895 -1.991445      5.127599  -3.107686      5.122308  3.638023       62.24487 
1 1 1 6   -21 4  o 74.68340 36.32214 -0.6205631     5.291133  -7.289466      5.419957  17.68069       61.40682 
1 1 1 6   -21 5  o 91.71384 42.22625 3.750437       5.300692  -4.535221      5.821506  27.22418       68.18035 
1 1 1 6   -21 6  o 75.69292 36.93182 -3.763081      5.591018  -4.878395      5.733850  1.898766       62.00375 
1 1 1 6   -21 7  o 85.92510 40.47236 -3.993316      5.531710  1.965217       5.616870  -19.73633      66.06530 
1 1 1 6   -21 8  o 139.6085 57.35863 0.8964772      13.08385  9.682526       6.242857  -26.15133      85.21925 
1 1 1 6   -21 9  o 103.9360 52.47948 0.000000       0.000000  -9.728079      11.40005  ?              ?        
1 1 1 6   -20 0  o 150.5642 57.14830 6.800907       8.954962  7.936420       6.387171  -6.018509      89.74680 
1 1 1 6   -20 1  o 113.6176 49.02623 4.436125       6.277837  0.3906007      6.315385  17.33047       78.05647 
1 1 1 6   -20 2  o 154.8425 49.77449 5.737227       5.262893  8.937006       5.600964  -22.87550      81.84293 
1 1 1 6   -20 3  o 104.0975 48.11021 -5.828130      7.249723  5.107596       7.338739  -35.43711      78.70345 
1 1 1 6   -20 4  o 131.1531 55.87243 4.384673       7.699608  5.369868       8.306977  -4.607101      87.01756 
1 1 1 6   -20 5  o 123.9198 56.08295 1.048077       8.884893  5.866177       9.661243  -14.64413      87.42643 
1 1 1 6   -20 6  o 104.9524 50.46435 2.450098       9.139499  -7.824101      10.19293  16.74243       80.67196 
1 1 1 6   -20 7  f 75.02969 36.40924 -5.533957      5.155605  -2.136522      5.458401  -12.25934      61.76565 
1 1 1 6   -20 8  o 77.94724 37.79509 -4.199410      5.454208  -3.583074      5.941569  -5.191132      63.52640 
1 1 1 6   -20 9  o 95.99397 43.37833 -2.647403      5.357892  4.626969       5.671922  -30.53706      70.17201 
1 1 1 6   -20 10 o 101.0974 44.59917 0.8139468      5.243631  2.902438       5.716463  -10.66344      70.86435 
1 1 1 6   -19 0  o 82.99876 38.50298 -1.296356      5.086674  -2.205363      4.451199  10.22931       65.18946 
1 1 1 6   -19 1  o 247.1158 38.10012 14.92624       5.657179  15.91232       5.648687  -9.319046      79.96268 
1 1 1 6   -19 2  o 85.24249 39.03099 -0.9463670     4.649689  -1.281317      4.644714  1.577820       65.14249 
1 1 1 6   -19 3  o 108.9905 48.37867 1.805076       6.738252  0.2481001      6.335073  8.395584       78.27547 
1 1 1 6   -19 4  o 114.2875 49.84302 4.049161       6.668951  -0.2840931     6.634019  18.21383       80.02773 
1 1 1 6   -19 5  o 117.8792 54.97606 0.000000       0.000000  -0.5195964     6.972855  ?              ?        
1 1 1 6   -19 6  o 84.15872 40.69836 -4.393815      6.432195  -4.852119      6.524654  0.5710144      68.74811 
1 1 1 6   -19 7  o 97.88611 43.80023 -2.774607      5.088346  4.855865       5.934369  -38.80858      72.54109 
1 1 1 6   -19 8  o 139.4651 61.91516 1.041158       9.888215  14.07745       11.73861  -34.62784      95.69455 
1 1 1 6   -19 9  o 117.1937 55.14056 -7.051069      10.50229  7.673995       10.10173  -30.99868      87.33317 
1 1 1 6   -19 10 f 154.5417 65.81248 13.60140       11.25694  8.090792       10.89842  14.36333       97.67535 
1 1 1 6   -19 11 o 138.5124 52.28674 7.297334       5.883419  5.340830       6.424539  10.82918       81.83821 
1 1 1 6   -19 12 f 91.27339 43.79831 -2.158159      5.841120  -3.953923      10.18442  -14.81577      72.95514 
1 1 1 6   -18 0  o 178.1795 48.17020 6.420945       6.835775  9.197887       4.666532  -22.40277      84.10625 
1 1 1 6   -18 1  o 143.9973 48.72913 11.40742       5.849058  1.305305       4.692386  81.80630       79.29179 
1 1 1 6   -18 2  o 90.36619 40.35604 1.549629       4.618125  -2.615911      4.608517  21.76765       67.40410 
1 1 1 6   -18 3  o 94.11656 41.60288 0.4651494E-01  4.676253  -0.3243893     4.886604  -0.4476929E-01 68.97395 
1 1 1 6   -18 4  o 94.93015 41.45322 0.3974450      4.518651  0.1360365      4.713963  -0.3527756     68.39742 
1 1 1 6   -18 5  o 106.8038 44.30745 1.495120       4.747570  2.169513       4.889402  -4.957848      71.96442 
1 1 1 6   -18 6  o 155.7408 49.70074 4.618720       5.175390  9.709428       5.691918  -38.40431      82.09215 
1 1 1 6   -18 7  o 99.70028 43.59388 -1.509255      4.668223  3.941262       5.725523  -35.14704      72.64139 
1 1 1 6   -18 8  o 120.6541 50.25107 1.729979       6.067800  4.641804       6.407837  -15.52126      80.39254 
1 1 1 6   -18 9  o 143.0873 52.78152 7.195348       6.171674  5.177257       6.191588  11.78674       84.04268 
1 1 1 6   -18 10 o 84.89069 41.95363 -7.965210      5.719478  0.000000       0.000000  ?              ?        
1 1 1 6   -18 11 o 87.03528 41.05587 -1.312607      5.191094  -3.398539      6.611303  -3.106590      68.24867 
1 1 1 6   -18 12 o 96.37948 47.61567 8.747924       11.01077  -20.42423      9.861158  52.53690       82.56299 
1 1 1 6   -18 13 o 120.6642 55.94063 1.968132       10.55422  3.171554       9.483476  -0.8687820     86.45089 
1 1 1 6   -17 0  o 234.6485 37.65789 16.82896       5.927898  10.68386       4.830895  52.46060       76.28359 
1 1 1 6   -17 1  f 326.1678 33.90223 2.707644       7.653588  39.02639       6.119684  -258.1107      73.26253 
1 1 1 6   -17 2  o 112.0616 45.01059 -0.4341306     4.753277  4.306271       4.803796  -31.94530      73.54846 
1 1 1 6   -17 3  o 116.8821 45.62241 0.4133877      4.703269  4.732251       4.860826  -31.13010      74.41911 
1 1 1 6   -17 4  o 217.1487 40.48977 13.87971       5.386532  9.614585       5.129781  39.88809       79.04275 
1 1 1 6   -17 5  o 158.7385 46.20708 8.534613       4.745990  4.374122       4.906310  36.54886       77.85384 
1 1 1 6   -17 6  o 119.6459 45.47472 2.553620       4.395340  3.785623       4.979715  -12.36326      74.34584 
1 1 1 6   -17 7  o 101.7022 43.35230 -0.1095327     4.518015  2.604901       5.174676  -20.44501      71.39949 
1 1 1 6   -17 8  o 215.7701 41.45724 16.50548       5.212239  7.216152       5.493481  87.24510       77.49468 
1 1 1 6   -17 9  o 161.0622 50.79166 10.60029       6.346551  5.237098       5.172181  39.14578       85.07471 
1 1 1 6   -17 10 o 106.7815 48.25268 0.2082587      4.819273  0.000000       0.000000  ?              ?        
1 1 1 6   -17 11 o 113.8194 51.55408 0.000000       0.000000  1.052127       5.539851  ?              ?        
1 1 1 6   -17 12 o 99.26110 45.38723 1.756469       6.018345  -2.715675      6.522966  13.32039       73.84426 
1 1 1 6   -17 13 o 100.9451 46.83890 0.3735550      6.085889  -2.058697      8.567399  -4.310074      76.01495 
1 1 1 6   -17 14 o 97.49221 45.77298 -3.737046      6.002970  4.329646       8.863179  -35.68138      77.47852 
1 1 1 6   -16 0  o 338.1906 28.94353 17.62169       6.304563  32.90926       5.759607  -112.1907      65.93567 
1 1 1 6   -16 1  o 342.4371 37.12532 0.000000       0.000000  27.20400       5.487277  ?              ?        
1 1 1 6   -16 2  o 112.0807 46.57315 -1.691137      7.525233  2.138733       4.359282  8.720856       79.00863 
1 1 1 6   -16 3  o 211.8350 39.29776 13.07401       5.069673  8.541707       4.883283  44.46286       76.08121 
1 1 1 6   -16 4  o 125.2281 45.81477 4.165792       4.752827  2.472988       4.538635  14.64218       75.31287 
1 1 1 6   -16 5  o 91.70549 41.68657 0.5295585      5.901659  -2.871612      4.669556  29.03136       71.93883 
1 1 1 6   -16 6  o 175.8313 51.54997 4.961127       7.409651  9.499678       5.156337  -29.53542      87.10011 
1 1 1 6   -16 7  o 314.8462 27.94558 21.67248       5.048776  24.66958       5.839720  -17.18878      58.69564 
1 1 1 6   -16 8  o 101.0362 42.85681 6.197120       4.621516  -4.575523      4.707346  64.14784       69.42453 
1 1 1 6   -16 9  o 116.4058 51.11914 0.000000       0.000000  1.120309       5.023241  ?              ?        
1 1 1 6   -16 10 o 186.8917 51.13947 13.30307       5.362181  3.301752       7.259608  74.10898       83.37815 
1 1 1 6   -16 11 o 120.6602 47.18303 1.239387       4.812836  6.098457       5.495499  -33.94727      76.55885 
1 1 1 6   -16 12 o 111.0682 46.81934 3.064837       5.154803  0.9250942      5.948578  6.559303       75.27294 
1 1 1 6   -16 13 o 115.2589 48.07214 2.564249       5.305897  3.073384       6.233616  -6.524658      77.09717 
1 1 1 6   -16 14 o 103.0352 45.19260 4.440559       5.106067  -3.227211      6.099430  28.12818       72.25317 
1 1 1 6   -16 15 o 111.5162 47.72684 -0.9233009     5.119552  8.978887       7.110254  -53.02563      79.32896 
1 1 1 6   -15 0  o 293.4885 28.96446 14.77163       5.683593  23.03534       4.829196  -71.92680      64.98251 
1 1 1 6   -15 1  o 170.9568 53.63518 0.000000       0.000000  7.015124       4.476422  ?              ?        
1 1 1 6   -15 2  o 136.0856 46.66211 5.874940       5.654362  3.074613       4.173505  32.66898       78.86388 
1 1 1 6   -15 3  o 361.0203 28.26102 29.80173       7.969953  29.22578       5.345872  -5.930511      63.54944 
1 1 1 6   -15 4  o 424.4933 23.29299 38.65932       6.130203  41.91727       6.090091  -17.91016      47.32783 
1 1 1 6   -15 5  o 102.3033 42.50598 2.848665       4.418395  -1.131330      4.467714  25.75935       70.20853 
1 1 1 6   -15 6  o 243.1087 32.89450 15.23964       4.722623  12.06855       4.952590  31.84642       68.66768 
1 1 1 6   -15 7  f 399.8983 24.01498 34.04079       5.719422  38.51991       6.165318  -24.25034      49.04467 
1 1 1 6   -15 8  o 157.6939 45.90705 8.919669       4.621970  3.222715       4.914530  49.90826       76.38579 
1 1 1 6   -15 9  o 183.5752 52.73312 6.517871       8.608313  9.856052       5.230541  -20.66083      90.98448 
1 1 1 6   -15 10 o 93.96631 41.13167 -1.902178      4.405612  2.411193       4.745282  -27.29889      68.49617 
1 1 1 6   -15 11 o 85.27235 39.38844 0.8965682      4.712124  -4.740024      5.065615  21.07874       66.33247 
1 1 1 6   -15 12 o 212.9211 44.91293 11.67787       5.282679  12.50833       6.355110  0.2638245E-01  86.05897 
1 1 1 6   -15 13 o 100.2048 44.83335 -2.571200      5.233064  4.057670       6.379999  -36.99010      75.02938 
1 1 1 6   -15 14 o 123.9274 48.57955 5.245177       5.034166  2.023648       5.960534  15.31067       77.34612 
1 1 1 6   -15 15 o 113.4985 47.26484 -0.4323403     4.830822  8.506131       6.594660  -54.07729      78.44898 
1 1 1 6   -15 16 o 252.6012 53.93039 22.56035       7.163112  13.94710       9.851893  83.75409       97.46867 
1 1 1 6   -14 0  o 297.7156 26.39414 16.44726       4.903236  23.30560       4.748466  -55.29468      55.90928 
1 1 1 6   -14 1  o 374.3350 22.31536 27.95222       5.488898  33.94638       4.881007  -39.14999      46.53363 
1 1 1 6   -14 2  o 208.5640 36.05930 8.281116       5.197977  11.28737       4.019073  -33.06450      72.44341 
1 1 1 6   -14 3  o 102.4430 42.60387 -0.9221678     6.335740  1.373696       3.646255  15.16848       73.27238 
1 1 1 6   -14 4  f 276.0544 30.26695 23.00391       5.854526  13.83731       4.575067  71.92810       62.68546 
1 1 1 6   -14 5  o 203.2343 38.54009 9.347002       4.760566  10.00210       4.605338  -6.981674      74.55422 
1 1 1 6   -14 6  o 301.1073 29.13469 22.94659       5.545543  18.40752       5.217381  34.36795       60.38887 
1 1 1 6   -14 7  o 166.8619 48.25019 6.969190       6.824762  6.668856       4.455377  10.29439       84.92445 
1 1 1 6   -14 8  o 215.5569 35.75965 10.69719       4.673962  11.16402       4.556472  -5.288269      71.83862 
1 1 1 6   -14 9  o 296.4857 42.55698 21.20054       5.376032  0.000000       0.000000  ?              ?        
1 1 1 6   -14 10 o 180.0201 43.01334 8.860542       4.580271  7.228984       4.912128  16.35182       77.81541 
1 1 1 6   -14 11 o 127.9627 46.58727 0.8203476      4.582587  7.304352       5.031470  -51.32085      75.57677 
1 1 1 6   -14 12 o 453.5764 25.19670 49.43516       6.828946  45.41063       7.319677  24.57755       52.53866 
1 1 1 6   -14 13 o 164.5371 51.04949 5.176079       5.320572  10.70735       6.308738  -41.98610      85.64866 
1 1 1 6   -14 14 o 127.5700 48.76170 3.823321       4.861011  4.336790       6.103966  -7.945679      79.12114 
1 1 1 6   -14 15 o 115.6717 47.43037 1.283638       4.813354  5.533957       6.382054  -29.96934      77.72044 
1 1 1 6   -14 16 o 99.03609 45.69531 -1.632280      5.459811  1.031606       8.702305  -26.46891      77.46931 
1 1 1 6   -14 17 o 160.8336 57.52965 6.221401       6.067222  14.82739       9.665087  -36.28378      94.82867 
1 1 1 6   -13 0  o 284.0923 22.98575 20.42299       4.037177  15.68780       3.995501  38.91684       47.41235 
1 1 1 6   -13 1  o 131.1177 41.26648 8.098276       4.237219  1.214874       3.391590  74.25028       67.69343 
1 1 1 6   -13 2  o 114.9064 41.46523 1.072040       4.217794  3.618834       3.462362  -14.63633      68.18295 
1 1 1 6   -13 3  o 107.1094 41.17316 1.682498       4.458349  1.966824       3.435821  8.596107       68.63480 
1 1 1 6   -13 4  f 214.4730 35.15374 13.42369       5.533188  9.296136       3.908929  37.16324       71.70927 
1 1 1 6   -13 5  o 235.5178 30.43437 14.81343       4.786858  11.15882       4.002632  33.09454       62.96339 
1 1 1 6   -13 6  o 166.3449 43.24434 13.45080       4.765331  1.046330       4.279747  118.9697       68.50827 
1 1 1 6   -13 7  o 250.5131 29.92049 8.934319       4.617159  19.30237       4.500624  -97.92268      64.20043 
1 1 1 6   -13 8  o 265.5854 31.22626 17.11929       4.956032  14.99080       5.141658  19.83408       65.24594 
1 1 1 6   -13 9  o 157.0749 43.71895 6.589537       4.270997  5.211198       4.576126  12.39017       75.52590 
1 1 1 6   -13 10 o 147.6759 45.08545 8.540053       4.420256  1.709250       4.602373  60.34428       73.35793 
1 1 1 6   -13 11 o 185.6153 41.61023 10.12737       4.537712  6.630071       4.819746  35.31070       76.11705 
1 1 1 6   -13 12 o 347.8058 28.00999 25.95538       5.595660  30.58354       6.486877  -25.73804      58.44772 
1 1 1 6   -13 13 o 227.0285 41.09090 11.58982       5.129238  15.08348       6.158630  -24.88448      82.46046 
1 1 1 6   -13 14 o 130.8079 48.76544 3.454312       4.791334  5.111446       6.021790  -16.41626      79.97160 
1 1 1 6   -13 15 o 151.0480 50.18059 7.475750       4.987658  4.620194       6.187509  18.85481       81.96753 
1 1 1 6   -13 16 o 144.3411 55.41731 7.418365       5.966664  3.105522       8.729905  15.78871       87.64170 
1 1 1 6   -13 17 o 229.9440 53.20082 18.00089       6.431561  11.13433       9.137096  66.55931       94.30167 
1 1 1 6   -13 18 o 198.7436 57.21312 17.57245       6.412769  3.118175       9.176731  92.23103       88.65322 
1 1 1 6   -12 0  o 344.6709 19.87602 27.99560       4.187478  24.64015       4.277145  22.68765       40.34511 
1 1 1 6   -12 1  o 128.4179 39.18819 6.035577       3.465268  1.623158       3.351094  47.68793       64.72189 
1 1 1 6   -12 2  o 290.2372 23.73146 18.38408       4.460739  19.15011       4.040993  -7.271423      48.86006 
1 1 1 6   -12 3  o 255.4431 26.36276 17.85299       4.581858  12.49827       3.770541  46.26155       54.31266 
1 1 1 6   -12 4  o 184.0258 35.79258 8.666831       4.642705  7.427474       3.481054  13.20569       69.75593 
1 1 1 6   -12 5  o 111.7225 41.90992 2.045284       4.559527  2.310112       3.503371  8.545547       69.89204 
1 1 1 6   -12 6  o 330.1725 22.24335 25.34516       4.903469  23.55092       4.229233  10.85242       45.49846 
1 1 1 6   -12 7  o 262.6003 26.29300 18.45328       4.502228  13.23949       3.994222  44.80168       54.33348 
1 1 1 6   -12 8  o 263.0030 28.59045 16.82257       4.819289  14.63851       4.389645  18.08888       59.18963 
1 1 1 6   -12 9  f 66.83599 32.46362 -6.030907      4.134398  -3.833910      4.354628  -11.56445      58.20951 
1 1 1 6   -12 10 o 121.4651 44.82967 0.6465113      4.258953  5.551714       4.693306  -42.72870      73.51794 
1 1 1 6   -12 11 o 282.3456 29.18049 17.94159       4.745318  18.56350       5.390679  -2.052490      61.23027 
1 1 1 6   -12 12 o 309.1954 27.63026 22.30894       5.016425  21.33778       5.504965  10.13080       57.89401 
1 1 1 6   -12 13 o 205.5747 43.60074 9.917867       4.939924  11.50001       5.983921  -11.17786      82.91466 
1 1 1 6   -12 14 o 115.4414 46.49980 1.175218       4.545066  4.438661       5.973325  -29.34480      77.12086 
1 1 1 6   -12 15 o 291.2886 32.94446 23.86275       5.461070  15.65515       6.332010  77.39063       74.10761 
1 1 1 6   -12 16 o 203.7331 47.83097 9.680684       5.248466  14.29291       7.007225  -28.35222      89.05070 
1 1 1 6   -12 17 o 120.8379 50.70334 0.5434717E-01  5.335688  10.43738       8.612333  -58.90434      86.40524 
1 1 1 6   -12 18 o 122.6804 51.43233 3.672683       5.501411  2.437632       8.773946  -6.132080      83.03343 
1 1 1 6   -12 19 o 160.8313 56.21235 9.631169       5.814373  5.585420       8.994611  23.61259       89.05502 
1 1 1 6   -11 0  o 360.2815 19.57464 31.35070       4.373363  26.32725       4.343402  32.15430       39.71413 
1 1 1 6   -11 1  o 348.3357 19.30868 28.82000       4.207243  25.11149       4.106375  24.37079       39.06401 
1 1 1 6   -11 2  o 392.4214 18.28747 37.30923       4.524167  31.09071       4.359272  36.16647       36.91776 
1 1 1 6   -11 3  o 332.9673 20.87066 23.30808       4.535722  25.67161       4.078741  -17.39371      42.82718 
1 1 1 6   -11 4  o 733.5049 17.50199 115.0754       8.065736  122.0909       7.865155  -22.14978      35.23057 
1 1 1 6   -11 5  o 115.4480 40.87690 1.356758       4.181199  3.475446       3.295289  -10.17320      67.62514 
1 1 1 6   -11 6  o 290.2110 23.78497 22.04845       4.775770  16.68671       3.858201  40.26334       48.66600 
1 1 1 6   -11 7  o 518.9997 17.72944 64.85261       6.037872  55.31855       5.412385  41.05243       35.67860 
1 1 1 6   -11 8  o 392.0238 20.09656 36.37679       5.130079  32.28455       4.647206  23.02850       40.63160 
1 1 1 6   -11 9  o 485.0005 19.69965 52.12346       6.001085  52.14180       5.831410  -0.3842163     39.71636 
1 1 1 6   -11 10 o 395.5019 21.01781 32.70522       5.054959  36.93067       5.225172  -24.30762      42.50227 
1 1 1 6   -11 11 o 135.5067 51.38038 3.390076       4.200705  0.000000       0.000000  ?              ?        
1 1 1 6   -11 12 o 287.5130 27.81239 17.79137       4.707259  19.95303       5.115080  -15.98053      57.66780 
1 1 1 6   -11 13 o 484.5155 21.75316 51.87626       6.259699  53.62000       6.818816  -6.374207      44.26546 
1 1 1 6   -11 14 o 177.4482 62.18456 0.000000       0.000000  8.306002       5.978117  ?              ?        
1 1 1 6   -11 15 o 91.70452 41.04641 1.378398       4.309730  -3.845931      5.511662  13.25686       68.14838 
1 1 1 6   -11 16 o 236.0111 39.92635 12.80203       4.988375  15.96777       6.629569  -15.66118      82.70310 
1 1 1 6   -11 17 o 94.69296 44.00331 1.727862       5.251547  -10.74699      8.084868  18.08020       72.88662 
1 1 1 6   -11 18 o 109.9226 47.90044 -0.8434575     5.054392  7.694949       8.439876  -52.31104      82.79804 
1 1 1 6   -11 19 o 169.8341 55.35021 8.845187       5.665176  9.800533       8.612079  0.9800415      91.39981 
1 1 1 6   -11 20 o 133.6942 51.58089 3.492722       4.911873  10.58220       8.742498  -38.54359      86.63461 
1 1 1 6   -10 0  o 254.8369 23.73018 12.73122       3.538488  16.98031       3.904856  -37.66681      49.00051 
1 1 1 6   -10 1  o 398.4570 18.00236 35.61736       4.400939  34.89640       4.476365  4.345032       36.35469 
1 1 1 6   -10 2  o 95.26075 36.90969 1.827544       3.250343  1.039673       2.987621  10.28204       61.07900 
1 1 1 6   -10 3  o 83.40848 35.21700 1.330732       3.214232  -0.7505056     3.043325  18.66424       58.92069 
1 1 1 6   -10 4  o 553.4729 16.83778 65.32324       5.859793  69.84722       5.692263  -18.97308      33.90409 
1 1 1 6   -10 5  o 289.6175 22.20916 17.38142       4.328149  19.59909       3.671504  -19.50302      46.57451 
1 1 1 6   -10 6  o 746.1686 17.15276 115.0115       8.017568  130.1793       7.863465  -46.75763      34.57835 
1 1 1 6   -10 7  o 566.6185 17.20063 75.59142       6.612144  67.47396       5.592619  31.46112       34.77004 
1 1 1 6   -10 8  o 248.6100 24.50384 15.67680       3.951448  12.38285       3.541806  29.80882       50.39230 
1 1 1 6   -10 9  o 181.0943 33.72035 9.572657       3.780106  5.887842       3.530061  42.45677       64.65298 
1 1 1 6   -10 10 o 188.0986 39.77891 5.978549       5.383261  9.576319       3.939802  -34.17371      74.65413 
1 1 1 6   -10 11 o 163.1630 50.85098 6.190176       4.030680  0.000000       0.000000  ?              ?        
1 1 1 6   -10 12 o 186.2729 38.43793 11.52058       4.305082  4.863067       4.283166  69.59007       70.03079 
1 1 1 6   -10 13 o 289.8859 28.45855 20.96770       4.895940  16.98594       5.223105  34.25998       60.13417 
1 1 1 6   -10 14 o 596.8682 20.60387 81.54073       7.425895  77.60480       7.823956  16.48895       41.82816 
1 1 1 6   -10 15 o 91.69590 41.14087 -4.016124      4.276912  4.657011       5.755987  -61.51830      72.39030 
1 1 1 6   -10 16 o 188.4908 44.00706 11.26346       4.483696  5.522432       5.909831  53.84006       78.20668 
1 1 1 6   -10 17 o 217.0757 47.43024 10.84406       5.145997  16.70161       8.410979  -28.79013      93.11500 
1 1 1 6   -10 18 o 162.7337 52.83303 8.836665       5.141808  4.634881       7.931286  24.92293       86.44067 
1 1 1 6   -10 19 o 327.3183 37.59806 28.11112       6.463973  25.43575       9.258997  61.11127       89.83308 
1 1 1 6   -10 20 o 128.0017 50.71037 5.217188       4.901764  1.947726       8.374435  5.519333       81.25836 
1 1 1 6   -10 21 f 99.58051 45.49505 -5.201771      5.155996  14.27506       8.674001  -91.52217      83.55927 
1 1 1 6   -9  0  f 128.8006 43.94769 5.831723       3.997481  1.163116       4.463333  36.70962       71.39045 
1 1 1 6   -9  1  o 237.1417 32.88700 12.34531       4.389533  14.08821       5.107042  -13.41309      68.42843 
1 1 1 6   -9  2  o 147.7610 44.08034 5.739327       4.261783  4.741168       4.434474  8.722641       74.89223 
1 1 1 6   -9  3  o 308.6045 27.61338 23.54011       5.180316  19.62926       5.281824  30.51828       57.57870 
1 1 1 6   -9  4  o 99.25955 41.36834 1.453336       4.214699  -0.3338893E-01 4.239156  9.771240       68.67242 
1 1 1 6   -9  5  o 661.9099 23.24162 93.37838       9.602345  101.4554       9.455582  -28.41156      46.98670 
1 1 1 6   -9  6  o 622.4857 24.27007 82.40613       10.22216  88.76463       8.674618  -26.40076      50.04450 
1 1 1 6   -9  7  o 589.8577 24.64355 70.33762       9.883810  82.11868       8.313138  -48.97388      51.42033 
1 1 1 6   -9  8  o 382.3048 40.86691 33.31760       6.746860  0.000000       0.000000  ?              ?        
1 1 1 6   -9  9  o 566.5531 16.46811 75.73429       6.095237  66.80470       5.511681  35.31335       33.09664 
1 1 1 6   -9  10 o 292.6106 30.47791 0.000000       0.000000  19.36187       3.854533  ?              ?        
1 1 1 6   -9  11 o 160.2113 37.55338 3.680977       3.435936  9.144128       3.951384  -62.35326      66.32845 
1 1 1 6   -9  12 o 408.7909 20.43582 39.26656       5.154640  34.84745       5.176856  24.97635       41.34801 
1 1 1 6   -9  13 o 681.2676 18.60945 102.0541       7.729834  103.5843       7.990802  -4.703857      37.45397 
1 1 1 6   -9  14 o 227.3176 35.01616 11.82592       4.460988  12.33004       5.177244  -2.182938      71.72018 
1 1 1 6   -9  15 o 452.8170 22.47966 47.47567       5.959818  44.31538       6.693002  18.92899       46.29400 
1 1 1 6   -9  16 o 185.2246 43.68274 10.23415       4.507790  6.150413       5.518077  39.00914       78.40524 
1 1 1 6   -9  17 o 249.5903 44.17460 16.09953       5.611309  15.43583       8.360765  25.57207       91.35577 
1 1 1 6   -9  18 o 114.3385 49.14368 0.3579156      5.255980  3.958729       8.296468  -34.05888      83.36818 
1 1 1 6   -9  19 o 104.2454 46.17036 0.1570816      4.942854  1.212243       7.837791  -22.45107      77.78834 
1 1 1 6   -9  20 o 100.1437 44.80520 0.3705772      4.656239  -0.5773223     8.132771  -18.22583      75.73810 
1 1 1 6   -9  21 o 95.81181 43.98865 2.621116       4.996527  -8.746307      7.829470  18.63149       71.47182 
1 1 1 6   -9  22 o 153.5457 71.33989 0.000000       0.000000  9.671635       11.56811  ?              ?        
1 1 1 6   -8  0  o 140.7563 41.71244 2.660079       3.729665  7.222897       4.099454  -47.48721      69.96382 
1 1 1 6   -8  1  o 113.6892 40.90533 0.5124769      3.668256  4.814012       3.691700  -38.62653      66.52901 
1 1 1 6   -8  2  o 88.31771 39.04336 -0.7487353     3.995168  -0.4552531     4.461592  -7.422394      65.89996 
1 1 1 6   -8  3  o 183.6282 40.54947 7.371866       4.398853  8.971159       4.598480  -16.40234      75.12705 
1 1 1 6   -8  4  o 436.8965 21.85094 40.21865       5.867918  45.29760       5.939040  -26.70972      44.38445 
1 1 1 6   -8  5  o 362.7360 23.84006 29.51910       5.411450  29.58622       5.260897  -0.9428406     48.62690 
1 1 1 6   -8  6  o 870.0836 24.21438 178.4209       13.42853  160.3780       12.71384  46.04858       48.90586 
1 1 1 6   -8  7  o 824.7692 23.45948 147.9008       11.75144  154.5081       12.24408  -17.54181      47.27829 
1 1 1 6   -8  8  o 235.8392 25.35543 13.51834       4.335256  11.89778       3.213856  12.71265       53.83580 
1 1 1 6   -8  9  o 246.2603 34.68002 16.84149       5.853061  11.90230       4.653292  42.58064       71.07891 
1 1 1 6   -8  10 o 307.7936 32.60303 20.33195       6.914223  22.09544       5.564164  -17.89014      70.02113 
1 1 1 6   -8  11 o 797.0867 25.07306 143.1932       12.48337  139.6180       12.28295  9.940857       50.58546 
1 1 1 6   -8  12 o 166.9369 53.61832 2.325074       5.749228  12.63025       7.033157  -83.81914      88.31825 
1 1 1 6   -8  13 o 254.3397 34.58384 18.45031       7.089025  13.35793       4.432611  36.39825       74.72952 
1 1 1 6   -8  14 o 362.0554 23.01854 30.21251       5.083666  28.27637       5.204406  12.73947       46.83878 
1 1 1 6   -8  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   -8  16 o 399.4341 23.02862 40.26602       5.377513  30.49426       6.044322  60.41510       48.86642 
1 1 1 6   -8  17 o 108.9589 46.59180 2.454746       4.834790  -2.447036      6.866317  7.221817       76.81924 
1 1 1 6   -8  18 o 329.3578 33.16081 22.27430       5.656778  34.31912       8.596725  -57.95886      73.01628 
1 1 1 6   -8  19 o 88.39999 41.43986 0.1055533      4.796707  -9.420973      7.537771  7.395592       69.92574 
1 1 1 6   -8  20 o 114.9321 47.43255 0.8985758      4.528575  7.020657       7.493585  -45.11785      80.87468 
1 1 1 6   -8  21 o 125.3386 48.92144 3.099993       4.518347  6.347475       7.619720  -27.03137      81.78446 
1 1 1 6   -8  22 o 163.4906 49.47699 4.299599       4.737586  15.24988       6.610565  -76.76468      83.84634 
1 1 1 6   -7  0  o 276.9273 18.46610 17.79203       3.195932  16.35714       3.113774  11.80176       37.45706 
1 1 1 6   -7  1  o 175.1666 27.57686 5.652353       2.835260  8.536488       2.964091  -36.60472      55.19025 
1 1 1 6   -7  2  o 226.4830 19.82679 9.529071       2.644695  13.77099       2.885962  -42.93140      40.87301 
1 1 1 6   -7  3  o 323.1593 16.85455 22.50072       3.250225  23.95430       3.497397  -9.793610      34.07336 
1 1 1 6   -7  4  o 338.1920 17.08671 24.69154       3.375212  26.30954       3.810120  -9.949524      34.66547 
1 1 1 6   -7  5  o 195.4708 24.02160 9.624681       2.896094  7.788724       2.809005  21.76802       49.78726 
1 1 1 6   -7  6  o 245.8450 20.05527 14.61139       3.051012  12.48317       3.013208  20.13693       41.13625 
1 1 1 6   -7  7  f 780.6390 16.06030 133.5865       7.837442  135.8262       7.718224  -6.779907      32.30865 
1 1 1 6   -7  8  o 274.8901 21.34909 16.03998       4.031388  17.37956       3.300980  -13.38052      44.99693 
1 1 1 6   -7  9  o 542.1689 21.31625 61.94593       7.254852  68.05273       7.059313  -26.19849      43.05622 
1 1 1 6   -7  10 o 419.1575 22.46762 34.87901       5.859385  42.93173       5.782390  -44.54428      45.73117 
1 1 1 6   -7  11 o 427.2267 22.32021 35.93307       5.788499  45.40790       6.007035  -50.76227      45.24900 
1 1 1 6   -7  12 o 426.4305 23.06463 43.38430       6.538925  38.22218       5.703274  26.15140       46.79203 
1 1 1 6   -7  13 o 282.3423 26.04684 19.85217       4.127352  14.98183       5.025027  44.18761       57.26714 
1 1 1 6   -7  14 o 325.2488 29.20085 22.77593       4.688648  27.28515       8.646264  -18.97714      69.97435 
1 1 1 6   -7  15 o 228.1289 62.61133 15.97060       9.501408  10.62625       8.794656  36.55544       108.5549 
1 1 1 6   -7  16 o 171.4015 60.84368 4.056966       8.013408  9.878253       8.217636  -35.32532      99.45957 
1 1 1 6   -7  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   -7  18 o 114.0646 47.13261 -1.307420      4.599411  8.875112       6.936625  -76.06083      81.23424 
1 1 1 6   -7  19 o 169.7927 49.37892 5.199659       4.854853  12.30720       6.535378  -56.77682      85.25655 
1 1 1 6   -7  20 o 110.3951 45.84757 3.456641       4.270433  -2.147475      7.050199  9.111382       74.58440 
1 1 1 6   -7  21 f 110.6371 45.89233 1.820773       4.205386  3.608718       7.377547  -24.84796      77.35937 
1 1 1 6   -7  22 o 92.39220 41.33032 -1.648082      4.171021  3.773029       6.065569  -38.49136      70.68410 
1 1 1 6   -7  23 o 84.39379 39.56104 -1.518233      4.743109  -2.147149      5.864342  -6.305626      66.00481 
1 1 1 6   -6  0  o 489.4460 13.40940 50.65218       3.991621  55.06734       4.147748  -20.46173      26.90577 
1 1 1 6   -6  1  o 652.8504 14.22562 98.59900       5.964251  89.72911       5.577285  30.63330       28.56489 
1 1 1 6   -6  2  o 126.3103 32.54021 6.205255       2.613670  1.395658       2.519518  62.64495       54.24993 
1 1 1 6   -6  3  f 196.9176 21.20822 9.575353       2.521983  7.766451       2.578615  21.90906       44.06894 
1 1 1 6   -6  4  o 326.9625 15.67874 23.75162       3.100338  23.54466       3.246125  1.726898       31.64059 
1 1 1 6   -6  5  o 310.4978 16.62587 18.30759       3.020314  25.26658       3.393377  -50.55002      33.62542 
1 1 1 6   -6  6  o 187.6213 24.68797 6.577353       2.738530  9.586163       2.873681  -36.89047      50.93518 
1 1 1 6   -6  7  o 147.7621 29.87316 5.470761       2.682704  4.763170       2.606767  9.660248       56.63297 
1 1 1 6   -6  8  o 397.5266 16.06736 33.26943       4.136280  36.46314       3.793786  -19.21747      32.67366 
1 1 1 6   -6  9  o 1051.581 25.83062 0.000000       0.000000  246.2998       11.91458  ?              ?        
1 1 1 6   -6  10 o 543.0388 16.64232 63.37927       6.934336  65.85685       4.822950  -13.02344      35.99205 
1 1 1 6   -6  11 o 452.3547 15.05085 46.63283       4.405822  43.78820       4.051363  14.02106       30.25996 
1 1 1 6   -6  12 o 731.1237 15.61587 119.1864       7.146076  116.3675       7.020172  8.693481       31.35238 
1 1 1 6   -6  13 o 779.4538 23.40348 0.000000       0.000000  134.9677       7.992450  ?              ?        
1 1 1 6   -6  14 f 501.9448 19.12429 56.94915       6.736102  55.02000       5.378129  6.621490       39.38433 
1 1 1 6   -6  15 o 94.26855 41.07168 2.451158       4.559258  -3.119350      4.456220  34.84283       69.09254 
1 1 1 6   -6  16 o 222.5923 36.09085 12.94592       4.587190  9.821570       5.075499  32.75348       72.79948 
1 1 1 6   -6  17 o 303.7041 29.85187 21.04632       4.948232  21.24822       6.447217  6.250366       64.86552 
1 1 1 6   -6  18 o 93.02512 41.41724 1.398306       4.118238  -5.254007      6.075164  10.84245       69.23821 
1 1 1 6   -6  19 o 185.9401 80.80448 0.000000       0.000000  10.07557       12.26894  ?              ?        
1 1 1 6   -6  20 o 172.7151 74.88167 8.126486       10.48564  0.000000       0.000000  ?              ?        
1 1 1 6   -6  21 o 134.8530 60.78417 6.167922       10.31435  -2.106074      11.21470  20.03841       96.29719 
1 1 1 6   -6  22 o 128.8882 54.31916 10.36117       10.97301  1.773290       5.966592  44.14979       91.95610 
1 1 1 6   -6  23 o 134.5415 47.31683 5.444078       4.418579  4.865127       5.576979  2.847366       76.71369 
1 1 1 6   -6  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   -5  0  o 506.1408 13.30812 55.70197       4.137922  57.09352       4.212519  -6.222382      26.68829 
1 1 1 6   -5  1  o 978.5997 16.74678 211.9858       10.20183  209.9740       10.13066  4.635864       33.56907 
1 1 1 6   -5  2  o 277.7336 15.34804 15.48303       2.623559  18.60843       2.644445  -25.90234      31.06131 
1 1 1 6   -5  3  o 612.1216 13.54982 79.96983       5.105834  84.98209       5.185134  -18.65381      27.19326 
1 1 1 6   -5  4  o 561.2732 13.36028 69.32723       4.637111  69.33041       4.666305  0.1544189E-01  26.82129 
1 1 1 6   -5  5  o 274.2023 15.72945 15.86671       2.638204  17.43921       2.691082  -13.12460      31.76523 
1 1 1 6   -5  6  o 414.0808 13.92925 37.63582       3.489975  38.08373       3.661847  -2.218353      28.01733 
1 1 1 6   -5  7  o 178.0734 24.64364 6.417259       2.590441  8.100036       2.712403  -21.47577      50.49854 
1 1 1 6   -5  8  o 152.3335 27.72170 5.810096       2.561840  4.973857       2.486076  11.60753       54.03516 
1 1 1 6   -5  9  o 180.8994 25.32430 8.712712       3.036198  6.570835       2.553998  25.40913       51.88958 
1 1 1 6   -5  10 o 534.3530 19.70299 0.000000       0.000000  63.26167       4.610175  ?              ?        
1 1 1 6   -5  11 o 464.4222 14.20301 49.01467       4.307825  46.28148       3.896895  13.04144       28.57788 
1 1 1 6   -5  12 o 501.1648 14.95248 59.66555       4.684434  51.15005       4.603174  38.81937       30.06353 
1 1 1 6   -5  13 o 479.5094 15.12274 50.51791       4.455098  50.87368       4.531124  -1.613312      30.36798 
1 1 1 6   -5  14 o 78.04212 33.93597 -1.101815      3.055562  0.5344008      3.073107  -12.25968      57.17694 
1 1 1 6   -5  15 o 617.9091 16.62489 79.98224       6.263799  88.87976       6.474549  -32.69873      33.39744 
1 1 1 6   -5  16 o 299.4996 24.62543 15.39658       4.505356  24.90607       4.564581  -74.70941      52.18493 
1 1 1 6   -5  17 o 205.1095 36.56096 15.93506       4.450257  3.655234       4.512749  120.8394       66.70342 
1 1 1 6   -5  18 o 228.5351 35.38284 11.19227       4.330825  14.22029       5.628477  -23.24698      73.17348 
1 1 1 6   -5  19 o 171.0073 44.81090 6.327973       4.190673  9.483172       5.821626  -28.78996      80.55502 
1 1 1 6   -5  20 o 153.0435 46.47346 4.371675       4.194975  9.530635       5.772117  -45.21124      79.89408 
1 1 1 6   -5  21 o 175.3146 46.38454 9.553968       4.574693  6.174824       5.927729  31.26167       80.47915 
1 1 1 6   -5  22 o 84.30907 39.10432 0.1291377      4.204020  -5.140998      6.053588  3.887947       65.45321 
1 1 1 6   -5  23 o 101.6272 43.84571 3.344970       4.046814  -5.822501      7.486924  14.99406       70.65690 
1 1 1 6   -5  24 o 118.1243 52.69247 0.1745069E-01  7.593832  5.069820       8.115100  -18.45570      83.50399 
1 1 1 6   -4  0  o 154.3531 24.21253 5.218829       2.217299  5.571128       2.267776  -5.066956      48.53879 
1 1 1 6   -4  1  o 550.6365 12.54925 66.49373       4.239596  66.78652       4.334918  -1.150818      25.17642 
1 1 1 6   -4  2  f 185.9851 20.37851 6.119857       2.262240  9.467364       2.366539  -41.99930      42.43361 
1 1 1 6   -4  3  o 149.3733 24.49304 6.014813       2.199736  4.120135       2.182211  28.05725       48.48499 
1 1 1 6   -4  4  o 406.7173 17.78451 0.000000       0.000000  36.52013       3.165080  ?              ?        
1 1 1 6   -4  5  o 227.8538 17.97838 15.07397       2.653310  8.596069       2.405881  65.37497       37.41118 
1 1 1 6   -4  6  o 106.8059 30.68757 1.819538       2.079034  3.502554       2.208033  -24.54122      52.26194 
1 1 1 6   -4  7  o 570.5496 13.06292 75.40685       4.711522  68.28271       4.539811  28.34601       26.23561 
1 1 1 6   -4  8  o 341.8519 14.35442 24.94111       2.961373  26.85115       3.119150  -12.52542      28.90369 
1 1 1 6   -4  9  o 311.3303 15.12105 21.38564       2.909961  21.57560       2.913070  -1.398346      30.50311 
1 1 1 6   -4  10 o 474.0505 13.95095 48.98676       4.332789  50.14956       3.897660  -6.336914      28.23360 
1 1 1 6   -4  11 o 562.0490 14.21799 66.10557       5.197803  72.55701       4.740050  -26.85968      28.81498 
1 1 1 6   -4  12 o 469.7155 20.42324 48.81273       4.197799  0.000000       0.000000  ?              ?        
1 1 1 6   -4  13 o 445.4196 14.54596 42.15457       4.043354  45.22142       3.984693  -15.83423      29.23720 
1 1 1 6   -4  14 o 441.7710 15.26388 43.79024       4.193018  42.32383       4.160420  7.567719       30.66700 
1 1 1 6   -4  15 o 342.7338 18.01702 26.22935       3.945272  25.84291       3.700575  2.142914       36.42307 
1 1 1 6   -4  16 o 212.5999 27.62069 11.66091       3.690443  8.993398       3.436326  28.50531       56.81232 
1 1 1 6   -4  17 o 227.8114 30.40101 15.10687       4.214708  8.685856       4.163775  65.38509       63.05202 
1 1 1 6   -4  18 o 587.5457 19.57513 71.89445       7.363009  81.22861       6.907805  -37.83752      39.84768 
1 1 1 6   -4  19 o 458.6656 19.53258 47.97659       5.313983  46.04621       5.808293  11.48386       39.84776 
1 1 1 6   -4  20 o 263.6227 30.04180 19.78578       4.282481  10.35356       5.645581  96.14423       69.53699 
1 1 1 6   -4  21 o 405.8037 21.84747 41.56971       5.138801  32.28814       5.898028  59.10028       46.84396 
1 1 1 6   -4  22 o 78.20084 36.11045 -3.506242      3.772798  1.490512       4.520140  -32.64304      62.32712 
1 1 1 6   -4  23 o 96.42648 39.76910 0.3899352      3.432029  3.471991       4.469956  -28.24088      65.91156 
1 1 1 6   -4  24 o 104.7741 43.56441 5.013737       4.189781  -2.498961      5.370483  34.01885       68.72196 
1 1 1 6   -4  25 o 108.2564 44.05058 2.264537       4.075562  3.637305       5.543772  -13.77039      71.34037 
1 1 1 6   -3  0  o 827.0707 14.55395 147.4269       7.347119  153.6003       7.592717  -17.15002      29.16393 
1 1 1 6   -3  1  o 420.6298 12.17373 38.44851       3.148070  39.37474       3.198722  -4.999847      24.40572 
1 1 1 6   -3  2  o 548.7330 12.16284 68.17609       4.186688  64.21821       4.095059  16.42450       24.39016 
1 1 1 6   -3  3  o 535.5245 11.90086 61.06144       3.875669  65.11147       4.036070  -17.17719      23.86461 
1 1 1 6   -3  4  o 232.7477 15.66247 14.09250       2.304926  10.04628       2.195382  39.99492       31.95526 
1 1 1 6   -3  5  o 458.1770 11.81960 44.80966       3.343403  47.53183       3.369798  -13.56219      23.69604 
1 1 1 6   -3  6  o 63.75007 27.78476 -0.2351852     2.158055  -0.2905478     1.981360  3.910614       47.04177 
1 1 1 6   -3  7  o 314.6898 13.70379 22.36201       2.637176  21.29438       2.701352  7.876740       27.59024 
1 1 1 6   -3  8  o 668.2012 13.04866 95.98182       5.295963  100.9496       5.528862  -16.72003      26.19526 
1 1 1 6   -3  9  o 108.9805 31.52761 0.7826503      2.134135  5.226100       2.392273  -61.03397      51.22657 
1 1 1 6   -3  10 f 358.8731 13.80257 28.81030       3.079085  28.14892       3.054958  4.185059       27.77467 
1 1 1 6   -3  11 o 213.0653 20.93949 9.137315       3.060820  10.86407       2.490271  -21.40549      45.24857 
1 1 1 6   -3  12 o 762.0557 28.59507 129.5892       9.541311  0.000000       0.000000  ?              ?        
1 1 1 6   -3  13 o 594.9407 13.37392 73.18597       4.845401  82.88110       5.031240  -37.08478      26.84296 
1 1 1 6   -3  14 o 390.1652 14.70037 34.02576       3.649296  33.14084       3.461226  4.980743       29.55725 
1 1 1 6   -3  15 o 321.9819 17.34280 24.98003       3.563922  21.15943       3.348410  26.91635       35.00422 
1 1 1 6   -3  16 o 460.5280 16.30473 49.50411       4.832705  44.55582       4.487470  24.11490       32.78914 
1 1 1 6   -3  17 f 195.3580 48.33580 0.000000       0.000000  9.146616       4.119024  ?              ?        
1 1 1 6   -3  18 o 266.9777 24.89634 16.93266       4.242732  15.32784       3.926771  12.93927       51.32591 
1 1 1 6   -3  19 o 154.3124 37.78975 4.641424       3.501158  6.969973       3.681701  -26.55713      67.47733 
1 1 1 6   -3  20 o 243.2031 26.30244 18.12378       3.861885  8.905201       3.949640  91.58960       57.88047 
1 1 1 6   -3  21 o 193.6364 33.45920 8.697890       3.621578  9.717171       4.187070  -7.648346      67.47231 
1 1 1 6   -3  22 o 126.7660 41.58714 7.422079       3.616019  0.1001215      3.958537  64.01015       65.25266 
1 1 1 6   -3  23 o 247.9657 27.62545 17.37214       3.987007  11.57748       4.397552  62.12256       61.52478 
1 1 1 6   -3  24 o 119.9862 40.61694 4.755886       3.222281  2.274168       4.140414  18.50759       66.12266 
1 1 1 6   -3  25 o 75.93420 33.98407 0.8926810      3.121079  -1.550897      3.490443  10.32861       56.06116 
1 1 1 6   -2  0  o 437.1563 11.56725 43.16055       3.165273  40.89505       3.103669  11.80435       23.18172 
1 1 1 6   -2  1  o 638.8080 12.40121 89.10194       4.912948  90.19611       4.915405  -3.911377      24.85687 
1 1 1 6   -2  2  o 626.2717 12.26503 86.68681       4.743658  85.62339       4.786297  3.901611       24.58627 
1 1 1 6   -2  3  f 377.4637 11.63473 28.71838       2.649627  34.23040       2.798474  -33.24786      23.34031 
1 1 1 6   -2  4  o 440.8433 11.53318 42.48806       3.129495  42.95036       3.173373  -2.369629      23.11285 
1 1 1 6   -2  5  o 713.9531 12.89396 111.1584       5.673967  112.8975       5.747697  -5.521057      25.84401 
1 1 1 6   -2  6  o 258.9757 14.02735 14.92387       2.285347  14.66734       2.206821  2.175018       28.25883 
1 1 1 6   -2  7  o 910.1841 15.11538 180.8704       8.508618  183.8553       8.560088  -7.449829      30.28627 
1 1 1 6   -2  8  o 144.1025 23.77768 3.201072       2.012648  6.371114       2.092510  -47.93504      46.49290 
1 1 1 6   -2  9  o 201.2605 17.78039 9.096541       2.124196  8.950474       2.277850  2.191895       36.47374 
1 1 1 6   -2  10 o 929.6003 15.56885 190.0703       8.922106  192.1386       9.034516  -4.900024      31.26811 
1 1 1 6   -2  11 o 159.3623 33.30725 0.000000       0.000000  5.979416       2.253127  ?              ?        
1 1 1 6   -2  12 o 389.8176 20.51834 0.000000       0.000000  33.77367       3.496012  ?              ?        
1 1 1 6   -2  13 o 730.7679 13.77527 116.3424       6.252161  118.6870       6.236820  -7.348755      27.63445 
1 1 1 6   -2  14 o 711.8076 13.89268 116.8211       6.287987  106.6221       5.991353  32.48163       27.86746 
1 1 1 6   -2  15 o 219.3808 21.94218 9.460242       3.246351  11.66361       2.716082  -25.48276      47.14927 
1 1 1 6   -2  16 o 295.2431 18.86031 16.36993       3.669262  21.68261       3.242426  -43.15649      39.78522 
1 1 1 6   -2  17 o 199.3239 32.80813 7.112334       3.988744  11.01218       3.846225  -43.45352      65.16724 
1 1 1 6   -2  18 o 328.7183 21.47725 24.27744       4.751297  23.95655       4.044497  0.4194946      44.19154 
1 1 1 6   -2  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   -2  20 o 288.7520 21.15672 21.22593       3.799116  16.45368       3.728407  38.43839       43.67485 
1 1 1 6   -2  21 o 426.0346 24.25014 41.53758       4.512978  0.000000       0.000000  ?              ?        
1 1 1 6   -2  22 o 114.9977 38.18740 1.330602       2.947510  5.834673       3.478912  -48.62801      62.82859 
1 1 1 6   -2  23 o 108.9265 38.45691 3.871857       3.009198  1.491008       3.527696  18.64285       62.47917 
1 1 1 6   -2  24 o 71.69886 34.46717 0.000000       0.000000  -3.365245      3.170141  ?              ?        
1 1 1 6   -2  25 o 154.6616 32.46381 5.534874       2.931456  6.920694       3.106466  -16.04077      61.70439 
1 1 1 6   -2  26 f 100.4171 36.82575 0.8674148      3.026603  4.187515       2.977869  -29.73892      59.10862 
1 1 1 6   -1  0  o 241.9687 13.67872 12.91057       2.036262  12.90450       2.053426  0.7955933E-01  27.55359 
1 1 1 6   -1  1  o 130.8438 22.03168 3.760472       1.694759  3.999201       1.756370  -3.984344      43.52597 
1 1 1 6   -1  2  o 52.98660 23.72666 0.2127293      1.602057  -1.243668      1.610278  13.57871       40.55879 
1 1 1 6   -1  3  o 409.9017 10.80061 36.40015       2.758863  37.42709       2.729144  -5.742584      21.64775 
1 1 1 6   -1  4  o 221.6686 13.77288 9.986824       1.899659  11.66552       1.869685  -17.53120      27.92289 
1 1 1 6   -1  5  o 482.9101 10.86177 52.96720       3.297078  49.54622       3.212070  16.13495       21.77736 
1 1 1 6   -1  6  o 317.2544 11.77756 21.03009       2.271559  23.33945       2.358476  -16.58377      23.63677 
1 1 1 6   -1  7  o 580.1624 11.48382 74.39856       4.133932  73.50864       4.131818  3.502991       23.02074 
1 1 1 6   -1  8  o 504.6683 11.06537 57.98845       3.544628  54.13111       3.388791  17.34177       22.19263 
1 1 1 6   -1  9  o 415.2262 11.28105 40.43791       3.001288  35.76508       2.813789  25.50632       22.62511 
1 1 1 6   -1  10 o 513.0124 11.40949 61.00703       3.723756  55.17877       3.544598  25.74017       22.90473 
1 1 1 6   -1  11 o 226.5316 23.63282 0.000000       0.000000  11.59588       2.313760  ?              ?        
1 1 1 6   -1  12 o 453.6622 12.13955 46.12300       3.613084  44.78984       3.243189  6.179504       24.47786 
1 1 1 6   -1  13 o 293.0534 16.35176 21.67106       3.499169  17.51303       2.612816  30.66794       33.58397 
1 1 1 6   -1  14 o 291.3637 14.39705 16.72287       2.515867  21.00313       2.680002  -33.47665      29.02100 
1 1 1 6   -1  15 o 477.7542 12.76785 50.83246       3.856127  49.68848       3.709154  5.341827       25.61510 
1 1 1 6   -1  16 o 413.2934 14.91767 35.17365       3.893232  40.02790       3.747413  -27.18036      30.14812 
1 1 1 6   -1  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   -1  18 o 358.4439 29.36066 28.93057       4.575820  0.000000       0.000000  ?              ?        
1 1 1 6   -1  19 o 993.5396 25.64062 0.000000       0.000000  221.3125       11.16482  ?              ?        
1 1 1 6   -1  20 o 208.1177 26.48371 15.10715       3.560239  5.871384       3.159025  100.0700       55.02008 
1 1 1 6   -1  21 o 376.0698 20.53465 25.55490       6.247058  34.49976       4.009803  -69.76291      51.55744 
1 1 1 6   -1  22 o 207.7121 23.47990 10.40649       2.837333  9.514844       3.128712  12.72289       49.88715 
1 1 1 6   -1  23 o 70.56508 31.06001 3.466932       2.676867  -3.602985      2.598023  55.30531       51.60376 
1 1 1 6   -1  24 o 211.2778 21.45395 11.32069       2.783546  9.527136       2.762191  20.27022       45.45172 
1 1 1 6   -1  25 o 334.3671 16.26702 28.18843       3.495234  23.06212       3.246331  33.82819       33.30223 
1 1 1 6   -1  26 o 129.4427 42.60346 4.876369       2.800991  0.000000       0.000000  ?              ?        
1 1 1 6   0   0  o 527.2092 11.59101 62.25777       3.844064  59.89804       3.739520  10.16858       23.23900 
1 1 1 6   0   1  o 654.4129 12.29074 95.40199       5.023607  92.77115       4.955832  9.147644       24.63116 
1 1 1 6   0   2  o 744.5106 13.00819 115.7902       5.805614  128.6741       6.232340  -39.47394      26.05743 
1 1 1 6   0   3  o 932.1683 15.14815 193.4647       8.837324  188.6555       8.683343  11.69806       30.33216 
1 1 1 6   0   4  o 605.7859 11.40559 81.51709       4.318178  79.69145       4.254548  6.851746       22.85505 
1 1 1 6   0   5  o 180.4642 15.01344 6.369763       1.648515  8.082873       1.682981  -22.03540      30.71521 
1 1 1 6   0   6  o 1022.627 16.23602 232.2563       10.37664  227.8748       10.22391  9.691956       32.52071 
1 1 1 6   0   7  o 55.89010 24.11732 0.1875799      1.529205  -0.4191367     1.518426  6.744865       40.68007 
1 1 1 6   0   8  o 260.1391 12.57882 15.12778       2.070581  14.71249       1.980098  3.554352       25.30938 
1 1 1 6   0   9  o 171.5533 17.19281 6.059986       1.808951  7.044975       1.801064  -13.52428      35.38645 
1 1 1 6   0   10 o 364.6164 10.83269 29.03613       2.479430  29.49666       2.416602  -2.965271      21.74592 
1 1 1 6   0   11 o 380.6408 11.07915 28.69923       2.558099  35.46589       2.672062  -40.49722      22.28441 
1 1 1 6   0   12 o 523.9291 10.98407 59.48287       3.552328  61.45979       3.587673  -8.582703      22.05046 
1 1 1 6   0   13 o 203.3551 17.39376 7.068910       2.308603  10.90930       2.058949  -45.83716      37.96216 
1 1 1 6   0   14 o 81.47736 28.80475 1.598238       1.857821  1.014340       1.778598  8.883560       47.78074 
1 1 1 6   0   15 o 544.7241 12.10392 65.56265       4.066241  64.90805       4.114097  2.785583       24.28411 
1 1 1 6   0   16 o 165.7521 25.53195 6.272758       2.598568  6.210975       2.487138  0.5931702      51.47411 
1 1 1 6   0   17 o 561.8975 13.24558 68.12173       4.607251  70.97292       4.626479  -11.59021      26.60448 
1 1 1 6   0   18 o 581.9454 13.99400 75.21150       4.971988  73.95547       5.135440  5.131287       28.13234 
1 1 1 6   0   19 o 453.8424 14.72169 41.59320       4.135550  49.42891       4.142620  -39.61731      29.70634 
1 1 1 6   0   20 o 373.4215 15.76001 26.00171       3.718189  35.49440       3.571172  -59.26883      32.46368 
1 1 1 6   0   21 o 382.3300 14.97232 32.04363       3.544612  32.96416       3.543545  -5.549011      30.22280 
1 1 1 6   0   22 o 89.36966 33.54977 2.445816       2.598204  0.7724746      2.445979  18.73013       55.06046 
1 1 1 6   0   23 o 114.9769 32.22015 2.623054       2.474322  3.832193       2.313061  -15.22845      55.35299 
1 1 1 6   0   24 o 189.7032 25.10717 8.918698       3.757961  8.417590       2.425562  -7.424133      56.73141 
1 1 1 6   0   25 o 67.40676 29.26870 -0.2784721E-03 2.425942  0.1824164      2.144951  2.473701       48.59425 
1 1 1 6   0   26 o 216.3502 19.00798 13.18262       2.695572  9.128419       2.383337  41.11722       40.05113 
1 1 1 6   0   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   1   0  o 774.2767 13.65726 132.3269       6.573893  131.1566       6.545357  3.678650       27.35646 
1 1 1 6   1   1  o 752.7505 13.28068 123.9630       6.176107  125.0350       6.226942  -3.462585      26.59994 
1 1 1 6   1   2  o 320.9310 11.36909 22.92443       2.284289  22.38066       2.236051  3.841888       22.80579 
1 1 1 6   1   3  o 347.2323 10.87621 25.44504       2.368022  27.50738       2.312557  -13.62793      21.84811 
1 1 1 6   1   4  o 282.4802 11.36442 15.91109       1.951610  19.31783       2.025030  -27.54892      22.85601 
1 1 1 6   1   5  o 1397.722 21.35451 428.5325       18.44973  432.4070       18.58122  -6.241821      42.80888 
1 1 1 6   1   6  o 151.9994 16.80636 5.358216       1.569698  4.935823       1.546967  6.464523       34.50630 
1 1 1 6   1   7  o 120.5274 20.61844 2.832734       1.471719  3.767386       1.501072  -16.93665      40.46083 
1 1 1 6   1   8  o 823.1159 13.48869 149.3368       6.904458  148.5840       6.870204  2.067261       27.01086 
1 1 1 6   1   9  o 71.39073 25.93815 -0.4897352     1.514229  2.241768       1.455887  -37.29393      41.22831 
1 1 1 6   1   10 o 277.4640 10.85286 17.22628       1.886451  16.69864       1.843020  4.302063       21.79711 
1 1 1 6   1   11 o 663.5474 11.66311 96.81817       4.827372  97.13410       4.774422  -1.360352      23.39146 
1 1 1 6   1   12 o 116.4892 23.41919 3.812064       1.618018  2.440244       1.649528  23.69038       43.96215 
1 1 1 6   1   13 o 432.5558 10.37379 42.66831       2.911279  39.92309       2.671244  14.19669       20.85583 
1 1 1 6   1   14 o 243.6484 14.15932 13.62192       2.569901  12.85571       1.859921  5.908234       29.90183 
1 1 1 6   1   15 o 598.5183 11.47730 78.23817       4.230048  79.26000       4.293079  -3.854248      23.01123 
1 1 1 6   1   16 o 249.4182 15.03958 13.85532       2.392823  13.65886       2.246316  1.560608       30.40850 
1 1 1 6   1   17 o 315.9788 13.96285 24.66467       3.002782  20.19303       2.520308  31.51575       28.17117 
1 1 1 6   1   18 o 395.1945 19.03731 0.000000       0.000000  34.62621       3.290323  ?              ?        
1 1 1 6   1   19 o 363.5153 20.43288 0.000000       0.000000  29.38700       3.244905  ?              ?        
1 1 1 6   1   20 o 807.3528 14.29409 137.5075       6.953191  151.3771       7.383657  -38.79626      28.71453 
1 1 1 6   1   21 o 65.79640 28.13819 1.231755       2.221181  -0.8222772     1.896099  25.03900       47.60520 
1 1 1 6   1   22 o 319.7362 13.20859 22.73024       2.729096  22.71855       2.512581  -0.6432800     26.75859 
1 1 1 6   1   23 o 89.95953 30.87505 3.269940       2.330968  0.8832088      1.894593  33.50615       51.26640 
1 1 1 6   1   24 o 70.39289 28.91444 3.430323       2.325046  -1.157724      1.816335  54.55278       48.14621 
1 1 1 6   1   25 o 143.4790 24.31355 7.072192       2.278215  3.459994       1.936706  51.57626       47.81503 
1 1 1 6   1   26 o 65.62724 29.27400 0.9628625E-02  3.387113  -0.2838267     1.982985  19.29736       50.95998 
1 1 1 6   1   27 o 117.5492 29.20127 1.913918       2.291636  4.853747       1.981552  -41.09651      50.18482 
1 1 1 6   2   0  o 664.8201 12.70288 94.55077       5.143969  99.85126       5.338843  -18.10089      25.46185 
1 1 1 6   2   1  o 927.2312 15.36213 187.3531       8.785017  190.7070       8.887885  -8.203979      30.76123 
1 1 1 6   2   2  o 597.8997 11.78802 77.67290       4.345581  79.37248       4.399019  -6.466125      23.62509 
1 1 1 6   2   3  o 1475.969 22.58675 479.7465       20.67239  480.7483       20.68730  -1.540283      45.29068 
1 1 1 6   2   4  f 1044.704 16.56169 242.0262       10.80281  238.0863       10.66419  8.534058       33.17001 
1 1 1 6   2   5  o 301.6794 11.03103 19.23658       2.060293  20.78727       2.061405  -11.76736      22.14643 
1 1 1 6   2   6  o 944.8212 15.13087 200.0009       9.008251  192.7388       8.734264  17.39777       30.30100 
1 1 1 6   2   7  o 821.0786 13.46648 150.0276       6.927180  146.3751       6.792615  10.08374       26.96185 
1 1 1 6   2   8  o 297.5159 10.36198 19.48915       1.928617  19.43890       1.890821  0.3555603      20.78760 
1 1 1 6   2   9  o 610.3995 10.96551 79.10793       4.076818  84.84436       4.231540  -21.35468      21.97692 
1 1 1 6   2   10 o 375.4743 9.784746 30.12631       2.280393  31.87274       2.273757  -10.64029      19.62262 
1 1 1 6   2   11 o 221.9122 11.50998 11.27546       1.612581  10.49728       1.547456  7.940704       23.18199 
1 1 1 6   2   12 o 54.41919 23.15027 -0.3073637     1.387106  0.3411879      1.348994  -6.651119      38.77757 
1 1 1 6   2   13 f 418.4677 9.329220 40.85155       2.465946  36.35795       2.379787  24.43362       18.72556 
1 1 1 6   2   14 o 289.6813 10.09300 17.35094       1.986512  19.27063       1.674893  -15.63638      20.78107 
1 1 1 6   2   15 o 770.2648 12.64413 131.1119       6.062855  129.9027       6.020385  3.552368       25.32543 
1 1 1 6   2   16 o 498.3246 15.23818 54.74306       3.326872  0.000000       0.000000  ?              ?        
1 1 1 6   2   17 o 344.4789 11.66321 25.08952       2.290686  27.63988       2.748874  -16.34595      23.62551 
1 1 1 6   2   18 o 531.5319 10.95159 64.48492       3.671929  59.97150       3.552933  19.28174       21.97027 
1 1 1 6   2   19 o 479.7473 10.91027 51.78972       3.297780  49.53019       3.198241  10.66534       21.89355 
1 1 1 6   2   20 f 238.8774 12.40713 13.67344       1.886228  11.66704       1.782554  19.08963       25.01588 
1 1 1 6   2   21 o 154.9952 17.21432 4.439255       1.664861  6.287186       1.592017  -28.64503      36.33069 
1 1 1 6   2   22 o 314.3295 10.61280 21.68733       2.098981  22.00044       2.035234  -2.448334      21.36296 
1 1 1 6   2   23 o 157.2827 21.00681 3.591450       2.634029  6.592240       1.674362  -47.66241      47.47347 
1 1 1 6   2   24 o 181.8786 15.51441 8.734022       1.831519  6.468541       1.650026  27.95477       32.01852 
1 1 1 6   2   25 o 125.8268 21.87666 3.380579       1.712720  4.112163       1.585767  -13.53233      43.55389 
1 1 1 6   2   26 o 57.24603 24.84464 0.2969004      1.785371  -0.1753023     1.518444  9.214207       41.64302 
1 1 1 6   2   27 o 151.2481 19.51686 7.397841       1.989761  4.068432       1.638056  47.02879       40.79068 
1 1 1 6   3   0  o 495.3646 11.98249 55.01596       3.736979  52.85473       3.629452  9.906097       24.03513 
1 1 1 6   3   1  o 684.8605 12.78532 103.9759       5.478179  102.1418       5.386241  6.068726       25.62496 
1 1 1 6   3   2  o 347.6836 11.68569 28.26777       2.585210  25.05668       2.453428  21.01495       23.43617 
1 1 1 6   3   3  o 594.2695 16.61119 77.72984       4.325728  0.000000       0.000000  ?              ?        
1 1 1 6   3   4  o 642.9180 11.94865 88.24300       4.689006  93.49939       4.845458  -18.58929      23.94408 
1 1 1 6   3   5  o 284.3051 11.55687 17.08105       1.996674  18.53513       2.073344  -11.64548      23.19973 
1 1 1 6   3   6  o 1063.807 16.75070 246.5417       10.98843  251.4012       11.12036  -10.35303      33.55190 
1 1 1 6   3   7  o 598.7028 11.22562 75.15866       4.077432  82.63509       4.267148  -28.39935      22.49551 
1 1 1 6   3   8  o 136.4041 18.63809 3.960700       1.533062  4.388465       1.538639  -7.263535      38.02506 
1 1 1 6   3   9  o 377.2987 9.834281 32.32088       2.353536  30.34465       2.249424  11.88950       19.70885 
1 1 1 6   3   10 o 225.3789 16.06047 0.000000       0.000000  11.25296       1.577312  ?              ?        
1 1 1 6   3   11 o 226.8549 11.17813 10.86006       1.578898  11.83192       1.557665  -9.887863      22.53619 
1 1 1 6   3   12 o 527.9420 9.820638 60.50691       3.218611  62.16734       3.213781  -7.196350      19.70152 
1 1 1 6   3   13 o 237.9191 10.03718 15.80714       1.543866  9.671751       1.419939  58.79918       20.47383 
1 1 1 6   3   14 o 173.4669 12.70831 6.937900       1.178888  6.126045       1.655260  12.38307       28.21384 
1 1 1 6   3   15 o 445.4384 8.671580 43.15124       2.383083  44.01931       2.409302  -4.432800      17.37935 
1 1 1 6   3   16 o 185.0627 11.36130 8.462106       1.407522  6.887575       1.210570  19.13506       22.93950 
1 1 1 6   3   17 o 387.4521 8.272111 32.00325       1.989192  33.93956       1.987123  -11.42068      16.59106 
1 1 1 6   3   18 o 451.9276 8.322008 46.41252       2.407156  43.51353       2.265285  14.52051       16.68609 
1 1 1 6   3   19 o 177.7627 10.34661 7.236177       1.060622  6.616641       1.230102  8.396027       21.28166 
1 1 1 6   3   20 o 464.9091 8.162307 47.30441       2.359545  47.70045       2.348395  -2.099152      16.35166 
1 1 1 6   3   21 o 273.2571 7.425211 15.36077       1.234289  17.57923       1.281985  -18.48709      14.89502 
1 1 1 6   3   22 o 136.9989 11.50010 4.318971       1.020675  4.062591       0.9232458 3.924698       23.51386 
1 1 1 6   3   23 o 154.5708 11.21657 4.179962       1.062096  6.492654       1.074341  -34.95811      23.47359 
1 1 1 6   3   24 o 275.9757 12.44520 16.99423       1.502641  0.000000       0.000000  ?              ?        
1 1 1 6   3   25 o 230.2488 9.606104 11.98656       1.335528  11.55737       1.405138  4.615799       19.43981 
1 1 1 6   3   26 o 134.7946 15.07678 5.369312       1.255709  3.023005       1.223112  41.12715       32.24075 
1 1 1 6   3   27 o 59.40004 23.32822 0.6546111E-01  1.306626  1.053242       1.211247  -11.61977      38.03848 
1 1 1 6   3   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   0  o 704.5696 13.44538 112.8796       5.986600  105.6057       5.772120  23.44604       26.95494 
1 1 1 6   4   1  o 1084.303 17.61053 256.3108       11.75605  261.2518       11.93624  -10.29199      35.28259 
1 1 1 6   4   2  o 1254.875 19.75425 342.5270       15.22714  351.2239       15.53178  -15.62524      39.59157 
1 1 1 6   4   3  o 694.7391 12.88237 112.8872       5.747853  100.0495       5.374527  41.94812       25.81884 
1 1 1 6   4   4  o 1048.692 16.84385 237.4143       10.82722  246.6145       11.09230  -19.87732      33.73776 
1 1 1 6   4   5  o 337.2446 11.50486 24.92575       2.408561  25.08855       2.398055  -1.112244      23.07495 
1 1 1 6   4   6  o 1058.230 16.88070 238.0136       10.86699  255.4252       11.30861  -37.28418      33.81487 
1 1 1 6   4   7  o 769.9955 15.18424 127.3353       8.767284  131.9714       6.323012  -15.72437      32.30232 
1 1 1 6   4   8  o 358.4950 15.36457 28.32488       2.410440  0.000000       0.000000  ?              ?        
1 1 1 6   4   9  f 935.9222 15.01368 193.7817       8.817306  191.8249       8.619116  4.625732       30.08467 
1 1 1 6   4   10 o 695.8101 13.70467 105.3139       7.200217  107.2182       5.138740  -8.556335      29.19129 
1 1 1 6   4   11 o 49.52509 22.95166 -3.129073      2.049026  0.8168057E-01  1.454029  -10.34837      39.51146 
1 1 1 6   4   12 o 189.3886 12.50241 7.548623       1.454431  8.345936       1.466823  -9.707397      25.32132 
1 1 1 6   4   13 o 249.1868 13.02047 13.74445       1.418221  0.000000       0.000000  ?              ?        
1 1 1 6   4   14 o 71.07533 21.78483 1.306293       1.047740  0.9447276      1.054883  6.886032       36.81471 
1 1 1 6   4   15 o 318.7594 9.516018 25.85610       2.107600  20.03077       1.712399  40.95459       19.14153 
1 1 1 6   4   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   4   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   0  o 560.6729 12.89670 67.56629       4.464678  70.66295       4.506480  -12.59631      25.87368 
1 1 1 6   5   1  o 179.6643 19.97580 7.803081       2.238944  6.648655       2.141689  14.82872       41.06113 
1 1 1 6   5   2  o 205.6231 17.13840 9.407289       2.177646  9.329510       2.154897  0.8332825      34.85109 
1 1 1 6   5   3  o 200.9363 16.62992 9.003008       2.086735  8.885254       2.023312  1.232513       33.81348 
1 1 1 6   5   4  o 591.9340 12.22749 75.37282       4.440051  78.64451       4.541255  -12.56970      24.51211 
1 1 1 6   5   5  o 476.3635 11.35039 52.51252       3.456576  47.46148       3.260081  24.09207       22.76358 
1 1 1 6   5   6  o 119.3977 24.81369 4.054286       1.854868  2.593491       1.709528  24.62434       46.14017 
1 1 1 6   5   7  o 314.1114 11.88529 20.28772       2.297344  23.16395       2.326267  -20.94855      23.89041 
1 1 1 6   5   8  o 347.1040 13.04788 26.14792       2.458810  27.22000       3.354002  -6.190765      27.33997 
1 1 1 6   5   9  o 189.3854 15.56653 8.487651       1.833489  7.435608       1.792454  12.83304       31.69246 
1 1 1 6   5   10 o 212.7886 13.99784 9.931712       1.854626  10.09101       1.820672  -1.798279      28.30525 
1 1 1 6   5   11 o 84.78590 27.15992 1.928659       1.639964  1.244525       1.593028  10.94095       45.51856 
1 1 1 6   5   12 o 403.0320 10.34184 31.87710       2.602384  39.58211       2.564864  -43.89694      20.91094 
1 1 1 6   5   13 o 303.1903 15.75757 20.41281       2.088396  0.000000       0.000000  ?              ?        
1 1 1 6   5   14 o 213.7383 11.33007 12.08851       1.499071  8.103069       1.494630  43.13425       23.34025 
1 1 1 6   5   15 o 332.9715 14.45579 24.47629       2.106270  0.000000       0.000000  ?              ?        
1 1 1 6   5   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   0  o 863.6069 15.56423 161.1573       8.243893  167.4399       8.435329  -16.45978      31.22732 
1 1 1 6   6   1  o 101.4328 33.09761 1.863111       2.371552  2.574965       2.414969  -9.233749      55.37503 
1 1 1 6   6   2  o 310.8602 14.54687 20.94236       2.819380  21.64193       2.775805  -5.216217      29.26861 
1 1 1 6   6   3  o 397.4717 12.78333 33.99722       3.124399  35.53299       3.171650  -8.803558      25.64083 
1 1 1 6   6   4  f 83.82484 30.39956 1.318253       2.024220  1.255131       2.050864  0.3783569      50.38034 
1 1 1 6   6   5  o 128.5947 26.22862 2.643147       1.965199  5.073483       2.082452  -37.86364      48.49093 
1 1 1 6   6   6  o 241.3387 14.85244 13.00018       2.190256  12.70876       2.235950  2.852646       29.98317 
1 1 1 6   6   7  o 332.7008 12.54565 26.46093       2.608653  22.33890       2.561099  28.33948       25.24245 
1 1 1 6   6   8  o 246.2103 14.31709 13.99414       2.162987  12.75048       2.191710  11.68796       28.92431 
1 1 1 6   6   9  o 379.7428 11.40318 30.34254       2.631185  33.22792       2.738247  -17.27347      22.87017 
1 1 1 6   6   10 o 607.7083 17.39325 81.61042       4.631589  0.000000       0.000000  ?              ?        
1 1 1 6   6   11 o 545.7675 16.92427 65.94026       4.046631  0.000000       0.000000  ?              ?        
1 1 1 6   6   12 o 438.0646 16.81848 0.000000       0.000000  42.59218       3.225661  ?              ?        
1 1 1 6   6   13 o 260.7605 18.74198 15.81138       2.318274  11.89787       5.385616  50.16478       59.81261 
1 1 1 6   6   14 o 264.0871 12.15021 16.23330       1.943885  14.50093       2.029048  15.26591       24.58904 
1 1 1 6   6   15 o 94.21938 24.50930 1.054263       1.400127  3.181499       1.496394  -37.84697      41.70720 
1 1 1 6   6   16 o 213.5793 9.607571 9.508220       1.603317  10.28656       1.083555  -9.170273      21.22033 
1 1 1 6   6   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   0  o 365.0892 16.38169 30.22489       3.687687  28.69036       3.713548  9.703949       33.00396 
1 1 1 6   7   1  o 171.6139 27.79148 6.499794       2.823599  6.926675       2.892585  -5.443893      55.48955 
1 1 1 6   7   2  o 467.2230 13.76970 47.88904       3.944436  48.23786       4.029925  -1.631042      27.62802 
1 1 1 6   7   3  o 181.3169 22.94627 8.130934       2.497105  6.592767       2.550067  20.03459       47.33886 
1 1 1 6   7   4  o 94.72182 33.24208 5.461479       2.447791  -1.737212      2.386454  81.48119       49.49306 
1 1 1 6   7   5  o 240.7076 19.08298 10.36115       2.766282  15.56703       2.889956  -50.12758      39.46516 
1 1 1 6   7   6  o 257.6059 18.04185 15.96952       2.896600  13.47008       2.834080  22.36075       36.62564 
1 1 1 6   7   7  o 180.4533 25.46086 9.589393       2.828614  5.285049       2.716679  54.30585       51.79923 
1 1 1 6   7   8  o 437.9935 14.08109 51.91315       4.052801  34.53877       3.624580  89.83377       28.39294 
1 1 1 6   7   9  o 210.6902 22.89773 10.52141       2.896612  9.341216       2.994963  13.55130       47.40149 
1 1 1 6   7   10 o 256.5458 19.10351 15.33920       2.966477  13.90954       3.072986  13.26631       39.01231 
1 1 1 6   7   11 o 517.2704 19.40867 0.000000       0.000000  59.48236       4.395859  ?              ?        
1 1 1 6   7   12 o 236.3268 28.76796 0.000000       0.000000  12.81398       2.920741  ?              ?        
1 1 1 6   7   13 o 330.1363 14.56269 24.51158       2.881252  23.75240       3.078451  5.768616       29.46666 
1 1 1 6   7   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   15 o 311.4450 17.99191 0.000000       0.000000  21.50611       2.447413  ?              ?        
1 1 1 6   7   16 o 73.42857 26.25002 -0.5803142E-01 1.526212  2.071361       1.499686  -29.85265      42.45071 
1 1 1 6   7   17 o 286.4722 12.09118 18.08889       1.515915  0.000000       0.000000  ?              ?        
1 1 1 6   7   18 o 73.90704 26.14820 1.069813       1.058869  0.000000       0.000000  ?              ?        
1 1 1 6   7   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   1  o 229.1235 39.29205 0.000000       0.000000  12.24385       3.806815  ?              ?        
1 1 1 6   8   2  o 383.2084 25.53809 0.000000       0.000000  32.77772       4.268145  ?              ?        
1 1 1 6   8   3  o 241.8346 35.45557 0.000000       0.000000  13.37917       3.649347  ?              ?        
1 1 1 6   8   4  o 142.3482 35.43403 4.462507       3.216905  4.939049       3.025068  -5.051590      63.18226 
1 1 1 6   8   5  o 225.4041 23.01682 11.74098       3.169730  10.97007       3.176590  8.074951       47.34533 
1 1 1 6   8   6  o 375.8514 16.25797 34.25195       3.855578  28.33554       3.711637  35.93414       32.76348 
1 1 1 6   8   7  o 183.1275 27.84475 5.727358       2.938526  9.877788       3.206142  -50.43234      55.74611 
1 1 1 6   8   8  o 86.03993 35.31089 -2.129967      2.836752  4.167537       3.233017  -60.16798      58.10516 
1 1 1 6   8   9  o 212.3497 26.25860 11.30042       3.279321  8.951664       3.502243  26.90559       54.87165 
1 1 1 6   8   10 o 408.1395 16.39943 41.39962       4.028799  31.82110       4.268613  54.76102       33.67921 
1 1 1 6   8   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   12 o 88.72184 37.86862 -4.237666      3.991193  3.526289       3.433398  -44.73589      61.65200 
1 1 1 6   8   13 o 113.2072 38.33094 2.338829       3.135265  3.380505       3.274988  -11.75066      63.66775 
1 1 1 6   8   14 o 331.5331 25.04241 0.000000       0.000000  24.71471       3.614774  ?              ?        
1 1 1 6   8   15 o 523.2952 12.22537 58.13487       3.880910  62.60284       4.062277  -19.32465      24.54207 
1 1 1 6   8   16 o 477.6557 11.27562 49.66314       3.359907  50.66569       3.322339  -4.834320      22.63102 
1 1 1 6   8   17 o 171.9960 18.39724 6.185418       2.267177  6.855105       1.712356  -11.12682      40.05013 
1 1 1 6   8   18 f 236.7247 10.59002 12.63797       1.473158  12.00252       1.643022  6.450745       21.49836 
1 1 1 6   8   19 o 679.7303 11.21879 97.62751       4.597441  106.3369       4.875633  -28.92590      22.48439 
1 1 1 6   8   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   8   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   0  o 280.3774 47.74604 17.64126       7.738799  20.55884       8.304861  -20.44928      96.01267 
1 1 1 6   9   1  o 129.6515 54.72089 7.899773       7.459335  -5.606193      7.625078  64.11455       89.46968 
1 1 1 6   9   2  o 206.1194 32.14101 9.281522       3.880695  10.36296       4.077711  -11.27313      64.96928 
1 1 1 6   9   3  o 161.9700 40.27786 5.395437       3.870906  7.189900       4.210111  -19.98409      71.86432 
1 1 1 6   9   4  o 111.3504 42.71796 3.455148       3.999322  0.3816997      4.290497  21.04480       70.06022 
1 1 1 6   9   5  o 850.2626 17.39578 158.7103       9.015638  160.6381       9.343440  -4.748840      34.97947 
1 1 1 6   9   6  o 839.7064 16.99090 152.5061       8.591540  159.2284       9.134040  -17.59808      34.17197 
1 1 1 6   9   7  o 733.4497 16.51064 121.2900       7.390152  116.0666       7.639895  16.67419       33.24435 
1 1 1 6   9   8  o 162.0097 42.84225 4.544615       4.149009  8.392427       4.632346  -39.95682      74.62588 
1 1 1 6   9   9  o 188.5303 38.94339 9.357449       4.248005  7.342250       4.577622  21.41753       73.36353 
1 1 1 6   9   10 o 243.5249 29.73740 11.27331       4.270875  16.23062       4.539761  -46.82123      62.04102 
1 1 1 6   9   11 o 245.7531 29.47613 13.25753       4.275239  14.60071       4.545041  -11.55925      61.52366 
1 1 1 6   9   12 o 468.1042 18.62260 43.32281       5.115288  55.78305       5.730429  -59.29779      37.64455 
1 1 1 6   9   13 o 296.4093 26.90858 19.53153       4.660677  20.48907       5.165787  -5.303802      55.88430 
1 1 1 6   9   14 o 182.4474 38.08387 8.513432       3.826360  6.910659       4.628694  17.18486       71.88654 
1 1 1 6   9   15 o 309.8647 19.89204 21.36027       3.457304  21.28987       4.279682  2.366791       41.34404 
1 1 1 6   9   16 o 512.9210 13.07967 56.16066       4.038181  59.97071       4.289672  -16.70831      26.24867 
1 1 1 6   9   17 o 159.8516 31.27490 7.898262       4.401198  5.333860       2.410697  30.70390       64.04729 
1 1 1 6   9   18 o 425.9627 11.98651 39.46545       3.195467  40.51846       3.133617  -5.748566      24.07434 
1 1 1 6   9   19 o 310.4515 13.23836 24.60115       2.760403  18.85290       2.370954  41.48737       26.64436 
1 1 1 6   9   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   21 o 225.9277 11.22116 12.03156       1.605576  10.60659       1.532381  14.32478       22.61595 
1 1 1 6   9   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   10  0  o 365.8350 31.39565 33.20361       7.057364  27.85134       7.054519  34.70679       65.37440 
1 1 1 6   10  1  o 159.6496 47.87518 5.453163       4.947801  7.014043       5.302248  -14.82622      81.34898 
1 1 1 6   10  2  o 420.2922 33.90011 37.89134       8.356840  43.79127       9.235660  -29.06396      70.34039 
1 1 1 6   10  3  o 242.2404 53.75443 18.10957       7.594285  10.49902       8.170009  59.03938       98.01951 
1 1 1 6   10  4  o 105.7298 44.68854 3.718095       4.901253  -2.930158      5.193583  36.51062       73.66797 
1 1 1 6   10  5  o 371.9537 23.95961 29.38228       5.283078  32.91197       5.743330  -20.64285      48.78146 
1 1 1 6   10  6  o 320.0124 27.66339 17.72029       5.126215  30.12683       5.813625  -88.08246      57.84142 
1 1 1 6   10  7  o 298.2155 30.02780 21.24988       5.282825  19.08910       5.699403  19.12546       63.05075 
1 1 1 6   10  8  o 312.7231 27.65453 25.76171       5.166717  18.15502       5.464658  59.37534       59.19874 
1 1 1 6   10  9  o 290.4706 28.72300 20.80251       4.969601  17.51904       5.258143  28.42380       60.51747 
1 1 1 6   10  10 o 537.3136 18.71474 68.78075       6.188028  59.72065       6.269214  39.11475       37.93612 
1 1 1 6   10  11 o 353.2514 24.79147 27.73212       5.354640  28.74061       5.442516  -6.313873      50.80569 
1 1 1 6   10  12 o 112.2550 46.44067 -1.831838      5.211814  4.673285       5.333788  -40.57086      76.31018 
1 1 1 6   10  13 o 124.6624 46.84037 1.761524       4.837418  4.215463       4.989601  -19.23250      76.95724 
1 1 1 6   10  14 o 193.4570 47.38323 13.31489       7.067542  7.001591       4.831075  57.30573       86.79197 
1 1 1 6   10  15 o 549.0482 16.68240 68.77748       5.638699  64.33296       5.712424  18.66547       33.56315 
1 1 1 6   10  16 o 448.3942 14.72278 48.41278       4.095479  40.33188       4.083671  41.32660       29.69973 
1 1 1 6   10  17 o 90.79224 36.26874 -3.471417      3.758090  3.294520       2.678982  -37.87736      57.74563 
1 1 1 6   10  18 o 159.7313 28.63848 4.418835       3.155625  6.800907       2.445110  -31.57857      56.53007 
1 1 1 6   10  19 o 212.1873 21.66788 9.520437       2.765970  10.76785       2.860461  -13.50168      44.71124 
1 1 1 6   10  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   10  21 o 298.7591 13.65880 20.59179       2.599355  19.08116       2.456017  11.24957       27.55612 
1 1 1 6   10  22 o 561.1152 16.65156 0.000000       0.000000  70.37258       4.093809  ?              ?        
1 1 1 6   10  23 o 197.0666 14.04480 9.680243       1.694088  7.706979       1.717445  23.55789       28.95733 
1 1 1 6   10  24 o 144.8670 13.76355 4.341746       1.234384  5.143341       1.209995  -13.32390      28.66347 
1 1 1 6   10  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   10  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   10  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   10  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   11  0  o 125.2925 49.48562 2.341634       5.449533  2.248134       5.945061  -3.765717      81.70962 
1 1 1 6   11  1  o 237.6909 46.78573 14.75441       6.061112  11.88431       7.459739  27.05049       90.31346 
1 1 1 6   11  2  o 104.6266 48.69012 -2.750505      7.677332  -4.966400      7.660548  7.891502       83.21989 
1 1 1 6   11  3  o 768.9601 28.14034 120.9290       12.43198  151.5060       14.63716  -83.58777      57.37767 
1 1 1 6   11  4  o 586.0746 28.46090 76.02980       9.962398  79.94999       10.71046  -12.66382      58.18594 
1 1 1 6   11  5  o 313.3790 42.94227 22.93743       7.952791  23.87465       8.316319  -4.908356      90.16883 
1 1 1 6   11  6  o 212.4876 46.15808 10.26784       5.736738  11.95223       6.099261  -14.56450      86.24083 
1 1 1 6   11  7  o 124.8533 48.89996 4.147354       5.379776  1.020002       5.643708  18.06891       79.98872 
1 1 1 6   11  8  o 110.8743 46.47218 -1.628103      5.205237  4.094802       5.572818  -36.94244      76.95247 
1 1 1 6   11  9  o 612.5942 19.07982 80.67053       7.097527  86.92537       7.394788  -22.66284      38.53254 
1 1 1 6   11  10 o 297.5320 31.67145 18.24133       5.739076  22.69428       5.772502  -35.72766      66.84078 
1 1 1 6   11  11 o 401.5168 25.07923 36.57345       6.243836  36.26410       6.187094  1.572357       51.25259 
1 1 1 6   11  12 o 493.3439 22.25826 47.99953       6.589986  61.73577       7.018622  -63.01865      45.20538 
1 1 1 6   11  13 o 408.3628 24.08801 42.72921       6.260605  32.47950       5.904564  57.17972       49.12327 
1 1 1 6   11  14 o 245.5555 33.83321 16.67909       4.856478  10.54460       5.194021  59.08426       70.38596 
1 1 1 6   11  15 o 205.9482 39.02544 12.34042       4.670827  7.177124       4.947528  51.97177       74.36984 
1 1 1 6   11  16 o 533.5064 22.49079 63.31337       5.251343  0.000000       0.000000  ?              ?        
1 1 1 6   11  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   11  18 o 681.9290 35.32617 106.6849       10.53062  0.000000       0.000000  ?              ?        
1 1 1 6   11  19 o 201.2714 27.10694 10.82595       3.610044  8.122494       3.055672  28.85596       55.82336 
1 1 1 6   11  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   11  21 o 553.2652 14.08152 62.27603       4.810678  73.57597       4.847279  -46.82184      28.43340 
1 1 1 6   11  22 o 92.97744 32.12754 1.684311       2.333339  2.110892       2.179659  -3.533844      53.16085 
1 1 1 6   11  23 o 264.5748 16.50260 14.30391       2.818037  17.06997       2.586683  -25.96086      34.36221 
1 1 1 6   11  24 o 69.69441 30.81661 -0.1020051     1.855079  0.000000       0.000000  ?              ?        
1 1 1 6   11  25 o 53.88098 24.27169 -0.4845387     1.688080  -0.2843600     1.730491  -2.459667      40.87655 
1 1 1 6   11  26 o 214.5259 13.16226 12.82518       1.738928  8.077698       1.747371  52.43282       28.03149 
1 1 1 6   11  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   11  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   11  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   12  0  o 263.0975 38.75058 15.20575       6.016401  16.62957       6.261069  -11.78119      79.03438 
1 1 1 6   12  1  f 587.4301 20.38867 76.08250       7.258757  76.82452       7.588784  -2.373291      41.08356 
1 1 1 6   12  2  o 613.5630 20.90749 85.64406       7.852104  81.45206       8.043118  16.09338       42.20138 
1 1 1 6   12  3  o 340.4220 33.57804 30.69394       6.802141  21.89315       7.212859  64.09329       72.26627 
1 1 1 6   12  4  o 366.7480 45.26267 33.04562       10.04285  31.02430       10.11565  13.75970       96.25400 
1 1 1 6   12  5  o 378.4714 43.49470 24.71130       9.759262  44.44904       10.31590  -121.9618      93.91251 
1 1 1 6   12  6  o 520.5654 30.98416 63.36971       9.675841  60.25384       10.27089  16.76495       63.97504 
1 1 1 6   12  7  o 190.0279 61.29010 8.614820       7.903362  10.00162       8.576887  -10.24654      102.1981 
1 1 1 6   12  8  o 382.3140 38.32677 33.73020       8.815916  34.86250       9.126184  -5.200500      81.12685 
1 1 1 6   12  9  o 314.0570 32.76202 23.60452       6.211226  21.93981       6.369394  13.62564       68.89548 
1 1 1 6   12  10 f 448.2670 24.90048 45.53997       6.831614  44.96395       6.963996  3.467346       50.74826 
1 1 1 6   12  11 o 181.5788 52.31521 11.65293       6.069184  4.250951       6.367682  57.60324       87.36972 
1 1 1 6   12  12 o 957.8185 19.58716 206.5474       11.71256  200.3771       11.56446  14.50531       39.45166 
1 1 1 6   12  13 o 701.6196 21.82598 110.7333       11.75209  108.6618       8.171122  -0.3605347     46.97009 
1 1 1 6   12  14 o 403.2804 27.85477 37.04013       5.739644  34.92067       9.388498  23.49954       66.48473 
1 1 1 6   12  15 o 772.6497 17.95814 135.0783       8.485358  128.6234       8.734378  19.53406       36.18017 
1 1 1 6   12  16 o 318.0711 23.96595 24.83883       4.637884  20.37930       4.751884  33.19263       49.41306 
1 1 1 6   12  17 o 217.2242 30.73665 9.743448       5.325596  11.31583       3.368659  -22.76595      68.22912 
1 1 1 6   12  18 o 166.9076 43.60064 12.57227       8.574043  5.805009       3.482445  63.03218       88.18228 
1 1 1 6   12  19 o 165.2646 36.87076 8.435312       4.327101  5.394928       3.262081  34.41702       68.74532 
1 1 1 6   12  20 o 358.2114 18.40426 27.07978       4.172830  30.04854       3.985289  -19.79413      37.48315 
1 1 1 6   12  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   12  22 o 270.2546 19.16771 15.94010       3.342369  17.08100       3.061153  -11.62677      39.72428 
1 1 1 6   12  23 o 253.4726 18.62919 14.65111       2.961067  14.68169       2.858989  -1.048065      38.45174 
1 1 1 6   12  24 o 88.72432 32.99909 1.977571       2.605629  1.652488       2.277783  5.839012       53.96764 
1 1 1 6   12  25 o 80.28350 31.31961 1.132054       2.260772  1.482373       2.242822  -3.273201      50.94129 
1 1 1 6   12  26 o 78.71927 29.71532 1.642387       2.004105  1.229879       1.960331  4.841766       48.25273 
1 1 1 6   12  27 o 100.7355 28.12370 3.466578       1.833800  2.037473       1.814860  20.70621       48.10809 
1 1 1 6   12  28 o 53.28587 23.68700 -0.2108079     1.388651  0.3052852      1.849651  -11.18357      39.78338 
1 1 1 6   12  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   13  0  o 771.0481 28.93941 132.4359       9.770144  0.000000       0.000000  ?              ?        
1 1 1 6   13  1  o 815.2128 20.69761 156.0406       10.46230  137.8108       10.45407  51.26868       41.67987 
1 1 1 6   13  2  o 475.3204 24.99953 52.94286       7.055887  47.10983       7.673343  29.64212       51.14838 
1 1 1 6   13  3  o 929.2509 28.13248 192.7964       11.45360  0.000000       0.000000  ?              ?        
1 1 1 6   13  4  o 581.6279 22.39517 75.81982       7.815219  74.55327       8.340343  6.089600       45.33103 
1 1 1 6   13  5  o 174.6506 53.87866 8.662497       6.236112  5.813337       6.616320  20.16879       90.55964 
1 1 1 6   13  6  o 464.0542 38.38490 44.22336       10.25544  56.83404       11.81001  -57.12582      79.89187 
1 1 1 6   13  7  o 483.8491 37.69033 50.21784       11.26831  57.63344       11.17874  -36.88766      78.65562 
1 1 1 6   13  8  o 454.1301 27.51765 52.81104       7.593607  39.74065       7.843493  68.35666       57.24375 
1 1 1 6   13  9  o 459.3016 37.56776 44.85603       10.32386  52.70853       10.92168  -37.88965      78.14510 
1 1 1 6   13  10 o 447.5496 38.62096 36.34474       10.17984  57.75957       11.11652  -109.5060      81.77578 
1 1 1 6   13  11 o 251.4963 42.80327 21.31808       6.468840  8.565942       6.408952  107.9331       82.39927 
1 1 1 6   13  12 o 635.5251 30.05471 0.000000       0.000000  90.70352       8.354382  ?              ?        
1 1 1 6   13  13 o 366.2450 27.29240 28.99528       5.957703  31.32041       6.375443  -13.64703      55.74607 
1 1 1 6   13  14 o 377.1305 35.59259 32.39942       5.818152  0.000000       0.000000  ?              ?        
1 1 1 6   13  15 o 428.5589 22.70796 42.79368       5.821208  38.83748       6.230039  22.39609       46.34291 
1 1 1 6   13  16 o 548.8221 27.99935 0.000000       0.000000  67.87705       6.718049  ?              ?        
1 1 1 6   13  17 o 164.8161 44.00040 3.969499       6.118123  7.634725       3.820400  -24.36153      77.45065 
1 1 1 6   13  18 o 359.2460 28.60858 43.56811       11.41567  26.71236       4.858993  71.57620       73.05473 
1 1 1 6   13  19 o 147.8650 54.97302 0.000000       0.000000  4.623482       4.758304  ?              ?        
1 1 1 6   13  20 o 504.3347 18.80602 56.20447       5.448201  57.76867       6.416064  -3.872437      38.52466 
1 1 1 6   13  21 o 201.7157 30.99980 9.400378       3.571424  9.995975       3.970179  -4.101105      63.78759 
1 1 1 6   13  22 o 220.0407 24.71083 12.04287       3.294711  10.56270       3.335067  16.58279       52.32886 
1 1 1 6   13  23 o 92.30923 35.98369 3.856337       3.179454  0.2858560E-01  2.798019  36.65718       58.74145 
1 1 1 6   13  24 o 71.17592 31.30079 -2.234857      2.862435  1.887502       2.515221  -24.21121      51.24891 
1 1 1 6   13  25 o 109.4953 35.85138 1.273477       2.807633  5.355727       2.805553  -42.30025      57.70805 
1 1 1 6   13  26 o 60.54265 28.13757 -1.016145      2.519425  -0.6149210     2.577452  -2.974968      46.97731 
1 1 1 6   13  27 o 106.6407 32.02356 1.798209       2.249633  4.852531       2.327890  -36.74908      52.80185 
1 1 1 6   13  28 o 84.54131 30.83236 2.384592       2.186075  1.740483       2.023222  7.117905       49.61489 
1 1 1 6   13  29 o 108.9906 42.80726 4.524692       4.146217  5.523634       4.319675  -4.821396      64.60605 
1 1 1 6   14  0  o 601.2737 24.29139 81.63356       8.855928  79.00773       9.239491  10.77411       49.12294 
1 1 1 6   14  1  o 585.0610 24.48430 81.49226       8.787105  70.40435       8.947745  43.99664       49.63990 
1 1 1 6   14  2  o 262.3981 45.18178 18.19764       6.957166  13.73540       7.228565  37.64339       89.36863 
1 1 1 6   14  3  o 525.0844 24.63807 70.81123       8.252970  52.79730       7.773996  78.13504       49.98166 
1 1 1 6   14  4  o 629.4836 33.02481 88.95901       9.086660  0.000000       0.000000  ?              ?        
1 1 1 6   14  5  o 793.2303 30.67742 140.8804       10.65368  0.000000       0.000000  ?              ?        
1 1 1 6   14  6  o 444.3973 28.63088 38.85228       7.743451  49.99098       7.962420  -57.79590      58.65712 
1 1 1 6   14  7  o 492.0223 25.97659 57.20934       7.869360  50.86736       7.931541  30.00763       52.78896 
1 1 1 6   14  8  o 568.3546 24.55360 74.84600       8.685767  69.18179       8.587565  22.78571       49.65985 
1 1 1 6   14  9  o 292.6917 59.21123 27.57299       10.13599  13.58350       10.64439  94.76735       109.8664 
1 1 1 6   14  10 o 578.3209 33.83728 86.92973       12.01868  63.89510       12.15427  93.76276       70.30513 
1 1 1 6   14  11 o 447.6392 28.10770 44.34331       7.645616  45.50666       7.891304  -5.405426      57.20238 
1 1 1 6   14  12 f 253.3667 57.54511 18.94178       9.432971  13.11983       8.342112  41.77194       105.7461 
1 1 1 6   14  13 o 152.3813 58.47693 2.541408       7.392233  6.227403       8.175727  -25.93282      96.31081 
1 1 1 6   14  14 o 400.6588 39.99184 37.05292       6.934458  0.000000       0.000000  ?              ?        
1 1 1 6   14  15 o 835.2914 29.82780 0.000000       0.000000  157.5121       10.91096  ?              ?        
1 1 1 6   14  16 o 326.5741 27.71921 25.04768       5.606142  23.39565       5.519616  11.57303       57.21484 
1 1 1 6   14  17 o 359.6363 26.70865 28.35480       7.244548  29.73859       5.123639  -18.33978      59.70344 
1 1 1 6   14  18 o 158.9400 47.83762 8.538068       6.391851  4.998818       4.368925  36.63800       83.42919 
1 1 1 6   14  19 x ?        ?        -43.82367      11.26868  0.000000       0.000000  ?              ?        
1 1 1 6   14  20 o 100.8018 42.64754 3.309273       5.019155  -1.009603      4.268600  33.62856       71.18102 
1 1 1 6   14  21 o 205.1359 31.99695 8.282314       4.017747  11.84334       3.864317  -40.51300      65.50491 
1 1 1 6   14  22 o 189.2598 29.67805 8.011454       3.449899  9.330200       3.295004  -17.29816      61.13254 
1 1 1 6   14  23 o 232.7300 24.16034 12.04162       3.480033  13.72788       3.396044  -18.77440      51.95403 
1 1 1 6   14  24 o 82.20724 34.56375 0.8596911      3.406696  1.078554       2.696627  4.573586       56.42719 
1 1 1 6   14  25 o 170.0590 29.37030 7.459913       3.237811  7.582215       2.785594  -8.288239      60.29720 
1 1 1 6   14  26 o 77.20810 32.95515 -0.7753407     3.001052  2.372066       2.614474  -18.50844      52.57178 
1 1 1 6   14  27 o 67.41876 30.30898 -1.657746      2.884335  1.462621       2.464256  -14.73240      49.03929 
1 1 1 6   14  28 o 85.95066 34.15988 2.248873       2.721741  2.172629       2.724240  0.5776978      53.67384 
1 1 1 6   14  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   15  0  o 114.0641 51.88791 -5.884312      8.013286  0.5139545      8.070519  -25.00835      88.26629 
1 1 1 6   15  1  o 744.5987 24.34684 125.1425       11.38071  121.8102       11.08597  9.705078       49.14265 
1 1 1 6   15  2  o 565.7037 26.74598 76.28662       9.670720  67.16579       9.075711  35.90686       54.15055 
1 1 1 6   15  3  o 181.4789 60.06795 11.02181       7.937288  4.238254       7.805974  45.09100       99.10800 
1 1 1 6   15  4  o 345.6527 38.40080 22.98835       8.012383  31.74095       8.180074  -59.67728      80.67172 
1 1 1 6   15  5  o 561.4094 26.25999 73.54662       9.171056  66.97588       9.069407  26.82318       53.14893 
1 1 1 6   15  6  o 710.3815 22.94069 108.9617       10.12100  114.9609       10.07097  -19.49622      46.24394 
1 1 1 6   15  7  o 308.6817 42.00470 22.24302       7.880689  21.78395       7.789413  3.163635       86.94831 
1 1 1 6   15  8  o 708.9755 33.75819 113.1585       10.46797  0.000000       0.000000  ?              ?        
1 1 1 6   15  9  o 584.0203 25.07407 77.44566       9.050685  74.49924       9.074700  11.68909       50.69180 
1 1 1 6   15  10 o 499.5930 26.17263 57.42937       7.991210  53.98348       8.177641  16.40927       53.13728 
1 1 1 6   15  11 o 399.2156 35.88157 35.87135       10.86196  36.50278       7.580312  -16.53922      80.87159 
1 1 1 6   15  12 o 328.1732 55.56591 34.60717       10.96065  17.62719       10.85700  111.7167       109.2355 
1 1 1 6   15  13 o 543.4135 57.69759 0.000000       0.000000  71.51128       13.54280  ?              ?        
1 1 1 6   15  14 o 212.2969 63.17038 11.48678       6.316888  0.000000       0.000000  ?              ?        
1 1 1 6   15  15 o 320.6036 40.76733 33.98432       7.707163  13.31735       8.161511  152.6613       87.02168 
1 1 1 6   15  16 o 350.7006 33.79755 24.01171       7.202739  32.91652       7.321906  -60.28299      71.72340 
1 1 1 6   15  17 o 144.5823 51.20507 7.186852       8.509223  3.903817       4.621834  42.11423       90.00449 
1 1 1 6   15  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   15  19 o 156.4607 52.54455 8.740874       11.21867  5.694756       4.599658  36.82661       96.53968 
1 1 1 6   15  20 o 136.7779 48.09156 12.36493       6.187398  0.6965287      4.384730  95.06332       79.20278 
1 1 1 6   15  21 o 98.71026 40.57158 -0.7125684     4.078409  3.452508       3.904602  -26.65736      65.87189 
1 1 1 6   15  22 o 275.5303 28.30873 20.07167       4.612087  16.31733       4.944653  37.87659       62.27733 
1 1 1 6   15  23 o 123.1718 44.31989 3.842871       3.223389  9.859762       9.568089  -29.27229      80.41787 
1 1 1 6   15  24 o 176.4738 33.49203 9.576455       3.839361  7.392064       3.288815  18.18607       66.73744 
1 1 1 6   15  25 f 65.36475 30.43912 -3.255323      3.189221  1.037744       2.849589  -18.01409      50.52913 
1 1 1 6   15  26 o 101.9384 36.01079 3.705318       3.077570  2.879636       2.648923  7.064415       57.95959 
1 1 1 6   15  27 o 75.74048 32.86400 0.6600831      3.176190  1.334188       2.624105  -0.9508438     52.27444 
1 1 1 6   15  28 o 101.2485 35.78864 5.853568       3.175236  2.042886       2.539455  30.58025       57.50090 
1 1 1 6   16  0  o 153.8478 62.71355 -2.928339      9.469487  8.908940       9.395687  -54.43634      102.4657 
1 1 1 6   16  1  o 419.0312 40.12908 42.04694       10.49094  38.84931       10.12594  16.68442       83.79924 
1 1 1 6   16  2  f 135.8220 57.72385 -2.325884      8.360826  4.666463       8.623013  -33.41673      95.68533 
1 1 1 6   16  3  o 436.0689 34.71694 36.93589       9.025727  50.48446       9.630782  -70.96927      72.10326 
1 1 1 6   16  4  o 432.7980 35.16838 40.95144       9.294780  44.30969       9.427606  -17.84259      72.60263 
1 1 1 6   16  5  o 222.4057 59.08966 13.68863       8.336311  10.71035       8.244138  21.58916       103.4441 
1 1 1 6   16  6  o 486.1090 30.78034 55.35659       9.433454  51.21717       9.046586  18.72913       62.79739 
1 1 1 6   16  7  o 279.8109 56.71692 17.46489       8.452529  21.73775       11.08978  -24.89133      109.8052 
1 1 1 6   16  8  o 264.5938 48.07676 16.83377       7.791025  16.46930       7.423148  2.012268       94.53524 
1 1 1 6   16  9  o 163.8108 57.77987 6.259433       7.353085  5.522588       7.262599  5.221024       95.33966 
1 1 1 6   16  10 o 363.8682 51.05730 0.000000       0.000000  31.54052       7.925071  ?              ?        
1 1 1 6   16  11 o 181.3610 56.92927 5.765042       6.905408  10.46393       7.380639  -35.11446      95.34816 
1 1 1 6   16  12 o 226.7675 53.36129 15.01724       7.228585  10.21966       7.541992  38.00096       96.36292 
1 1 1 6   16  13 o 156.7801 64.40830 0.000000       0.000000  3.659715       7.103673  ?              ?        
1 1 1 6   16  14 o 186.3553 57.22244 14.46766       6.370923  -1.746860      8.632540  93.84370       88.76112 
1 1 1 6   16  15 o 120.6724 57.67437 -1.519857      11.96351  -16.23343      12.35785  31.57523       99.28419 
1 1 1 6   16  16 o 146.6443 64.95354 -1.371387      11.90893  1.304881       11.50957  -6.443481      107.1358 
1 1 1 6   16  17 o 165.6099 76.99693 0.000000       0.000000  -3.757450      13.51068  ?              ?        
1 1 1 6   16  18 o 185.6811 57.02542 -4.085186      10.95115  12.71798       5.749498  -71.83546      90.17216 
1 1 1 6   16  19 o 160.9427 59.26281 0.000000       0.000000  6.719958       5.506338  ?              ?        
1 1 1 6   16  20 o 80.99974 39.06124 -2.818201      7.498988  -5.804440      4.978627  31.44641       70.28440 
1 1 1 6   16  21 o 118.6216 45.21417 5.789467       5.097074  1.759865       4.248441  31.53127       73.72926 
1 1 1 6   16  22 o 158.1805 43.40425 8.490269       4.594079  6.031073       4.205609  21.03392       75.20577 
1 1 1 6   16  23 o 71.90942 33.81504 -0.8527504     3.584848  -2.312517      4.216904  0.2968216      56.33897 
1 1 1 6   16  24 o 82.30322 36.62153 2.389554       3.740897  -1.360311      3.786010  19.41521       59.27096 
1 1 1 6   16  25 o 74.96545 33.87091 -0.1056107E-02 3.709202  0.4422135      3.088975  2.143600       54.77089 
1 1 1 6   16  26 o 122.7249 37.64948 3.603285       3.311279  6.096969       2.991320  -25.63741      61.31348 
1 1 1 6   16  27 o 73.75844 32.77016 4.111500       3.412767  -1.031225      2.710776  32.11450       53.54356 
1 1 1 6   16  28 o 66.46454 30.65349 -2.806699      3.238328  2.351718       2.709380  -20.74531      48.79990 
1 1 1 6   17  0  o 684.6318 30.09408 114.5814       13.21580  98.00736       12.32926  53.35754       61.24442 
1 1 1 6   17  1  o 390.2197 47.55521 40.66215       11.56433  31.34013       11.00415  54.48145       100.4096 
1 1 1 6   17  2  o 118.5381 55.47857 -10.89770      10.11822  -0.6558014     10.25974  -31.80577      95.70856 
1 1 1 6   17  3  o 367.0032 48.15539 28.73750       10.35261  35.27836       11.08224  -38.76959      101.0886 
1 1 1 6   17  4  o 395.0328 40.57013 36.64489       9.655785  35.65598       9.951827  7.458008       85.35458 
1 1 1 6   17  5  o 191.9665 64.33706 3.973024       8.818172  14.40864       9.244419  -63.58151      105.1579 
1 1 1 6   17  6  o 131.7604 56.24596 -1.729125      7.942709  3.810055       8.315027  -27.89279      93.30820 
1 1 1 6   17  7  o 106.8768 49.32124 6.259705       7.529787  -13.53104      7.722610  73.86572       84.83488 
1 1 1 6   17  8  o 217.6832 57.07083 16.62256       7.633218  6.656107       7.976679  72.40112       97.40544 
1 1 1 6   17  9  o 294.5352 48.76557 31.26506       9.022239  12.27704       8.228959  135.8316       94.70529 
1 1 1 6   17  10 o 129.8601 54.39488 0.8254763      7.031246  2.464503       7.746672  -13.48405      89.95533 
1 1 1 6   17  11 o 131.2123 54.84700 4.858047       7.210074  -1.868743      7.743360  28.78398       89.88512 
1 1 1 6   17  12 o 245.7390 52.29429 15.36422       7.199543  14.56503       8.389352  9.295593       98.86623 
1 1 1 6   17  13 o 129.6476 59.14784 0.000000       0.000000  -2.583159      7.457056  ?              ?        
1 1 1 6   17  14 o 228.9691 53.94397 13.29392       7.157866  13.03484       7.979042  3.168289       98.50163 
1 1 1 6   17  15 o 327.3746 35.68203 17.27928       6.864161  33.81031       7.427212  -117.3018      76.81353 
1 1 1 6   17  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   17  17 o 283.3777 38.00521 24.08351       7.602261  16.37280       5.787655  50.22090       80.55396 
1 1 1 6   17  18 o 157.0636 68.31431 -7.153389      12.32425  15.65087       12.52572  -71.45338      109.8728 
1 1 1 6   17  19 o 185.0230 73.52108 15.32200       12.67035  7.040666       12.55303  28.65289       114.5449 
1 1 1 6   17  20 o 274.3464 75.86756 28.08011       13.12772  26.67641       13.57300  9.952927       127.8154 
1 1 1 6   17  21 o 223.8208 48.49191 11.93842       6.553897  17.04018       6.521607  -41.82590      90.95863 
1 1 1 6   17  22 o 75.44131 35.94357 -1.325839      4.677150  -3.166074      4.612302  7.004013       60.02291 
1 1 1 6   17  23 o 132.3192 49.06626 5.023314       5.109340  7.288515       5.638484  -12.44542      77.08365 
1 1 1 6   17  24 o 122.8542 45.39371 1.600956       4.329956  10.00516       4.868276  -53.27515      71.23906 
1 1 1 6   17  25 o 74.42441 34.76627 3.459842       4.091328  -3.542084      3.858309  29.46979       56.98889 
1 1 1 6   17  26 o 105.4043 40.62350 4.424266       3.804768  3.801533       3.704287  3.753922       62.64594 
1 1 1 6   17  27 o 74.40289 33.34938 0.5503260      3.511792  1.581009       2.929919  -2.835518      52.01038 
1 1 1 6   17  28 o 82.83965 35.22488 6.894564       3.690340  -0.1562432     2.813161  39.78175       56.13856 
1 1 1 6   18  0  o 393.2146 49.02368 37.23354       11.68118  37.98852       11.71651  -4.408844      105.3440 
1 1 1 6   18  1  o 237.1250 98.84032 0.000000       0.000000  14.34556       17.06576  ?              ?        
1 1 1 6   18  2  o 312.7976 59.76762 32.32208       11.20388  16.72382       11.14499  101.3799       113.6625 
1 1 1 6   18  3  o 678.1819 45.89528 0.000000       0.000000  107.5064       13.57219  ?              ?        
1 1 1 6   18  4  o 269.1707 62.02414 11.18492       9.934958  25.77877       10.36558  -96.71809      110.2150 
1 1 1 6   18  5  o 226.9562 63.15970 8.676847       8.998637  17.75516       9.451312  -60.61560      107.8620 
1 1 1 6   18  6  o 193.8718 64.39495 7.694526       8.827333  10.77902       9.276373  -19.93834      106.8403 
1 1 1 6   18  7  o 447.3081 35.15751 46.19194       9.413682  45.38141       9.963640  6.655151       72.97095 
1 1 1 6   18  8  o 375.8314 50.89534 21.03990       14.03772  40.68375       10.05578  -137.0465      111.5273 
1 1 1 6   18  9  o 160.1527 61.72847 11.49588       8.233582  -2.927897      9.177409  68.11032       98.19361 
1 1 1 6   18  10 o 314.5780 46.62286 21.87479       8.585837  25.76656       9.080906  -26.04590      96.66237 
1 1 1 6   18  11 o 399.8333 39.05855 31.82150       9.213784  43.55817       9.957664  -66.34625      82.60303 
1 1 1 6   18  12 o 258.9905 55.55958 13.27032       8.506113  20.63146       8.819423  -53.65457      103.4198 
1 1 1 6   18  13 o 266.2129 70.53886 0.000000       0.000000  19.07942       8.367624  ?              ?        
1 1 1 6   18  14 o 152.9072 59.40205 6.959243       8.009377  2.273493       8.138920  23.98653       96.59731 
1 1 1 6   18  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   18  16 o 124.3310 51.69663 3.818571       6.585326  0.3627691      6.572256  17.86879       84.43361 
1 1 1 6   18  17 o 178.5269 52.67691 10.02813       7.864388  7.922606       5.321823  14.96489       91.60175 
1 1 1 6   18  18 o 136.4010 52.57310 5.823573       8.821426  4.005750       5.146743  22.59850       88.12511 
1 1 1 6   18  19 f 133.6155 54.57151 2.284864       12.62801  4.702961       5.525541  11.45554       90.76830 
1 1 1 6   18  20 o 153.2252 57.58593 -4.561475      12.68108  10.15951       5.767612  -42.27165      88.00155 
1 1 1 6   18  21 o 125.9829 54.19078 5.081110       12.94146  4.651803       5.951033  8.335419       86.13305 
1 1 1 6   18  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   18  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   18  24 o 92.08226 41.58460 5.913113       5.057908  -2.128129      5.047694  30.55431       65.25547 
1 1 1 6   18  25 o 82.39231 38.70477 4.258575       5.486550  -1.665483      4.683720  19.84917       60.99218 
1 1 1 6   18  26 o 79.30820 37.55334 -3.882316      4.775822  5.752043       5.072044  -29.13241      59.62830 
1 1 1 6   18  27 o 72.38747 35.33880 0.000000       0.000000  -0.5591718     3.679832  ?              ?        
1 1 1 6   18  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   19  0  o 217.5543 70.79732 20.44070       10.72469  6.668595       11.19617  70.80544       114.0063 
1 1 1 6   19  1  o 220.8036 77.15470 14.91649       10.97818  12.79027       16.85374  5.804169       125.9716 
1 1 1 6   19  2  o 156.7208 65.03432 9.608664       10.16132  -2.194684      10.61755  45.21838       105.0218 
1 1 1 6   19  3  o 240.1077 65.07901 10.88786       9.809352  20.14338       10.06230  -58.35184      112.0004 
1 1 1 6   19  4  o 122.1618 56.16860 -0.9294667     9.688158  -5.542770      9.835518  13.59903       94.61708 
1 1 1 6   19  5  o 228.3519 76.97598 14.08604       9.133191  0.000000       0.000000  ?              ?        
1 1 1 6   19  6  o 273.9304 65.32310 30.32395       11.01712  8.988977       10.87105  131.7672       111.5531 
1 1 1 6   19  7  o 522.7606 42.48739 62.35417       17.32689  64.73066       11.63349  -45.15390      101.0972 
1 1 1 6   19  8  x ?        ?        0.000000       0.000000  -54.75329      10.16668  ?              ?        
1 1 1 6   19  9  o 78.03918 39.27454 -17.47274      8.030187  -17.67962      9.378813  -11.55133      72.34374 
1 1 1 6   19  10 x ?        ?        -47.51798      10.14037  -49.61619      14.53879  ?              ?        
1 1 1 6   19  11 o 264.9961 71.10445 21.78289       10.34910  13.86996       14.56338  47.26271       122.9131 
1 1 1 6   19  12 o 225.8980 65.91513 -0.3768223     9.513866  29.75156       10.12771  -177.4358      99.31758 
1 1 1 6   19  13 o 311.1161 58.18077 4.481320       15.10870  32.21915       8.867896  -161.5089      104.4587 
1 1 1 6   19  14 o 196.4603 62.20269 10.94166       8.284432  10.12596       8.725287  4.823807       103.5776 
1 1 1 6   19  15 o 228.3926 51.04174 14.86980       7.352302  12.66469       6.780748  15.24730       95.17667 
1 1 1 6   19  16 o 106.6465 47.69710 -3.658226      6.640324  2.690717       6.311653  -24.21911      78.74165 
1 1 1 6   19  17 o 100.6937 45.51967 -2.713936      8.006183  0.2506629      5.087316  9.801773       76.44397 
1 1 1 6   19  18 o 156.4429 54.69157 13.19663       9.134831  5.265434       5.359332  43.29465       93.05318 
1 1 1 6   19  19 o 113.9309 50.62897 2.662919       12.66055  1.533217       5.532109  25.26968       85.63094 
1 1 1 6   19  20 o 127.4307 63.19579 -0.4614928     13.39698  0.000000       0.000000  ?              ?        
1 1 1 6   19  21 o 89.68021 42.82272 -6.350471      8.186258  0.9645252      5.769025  -7.079048      68.70018 
1 1 1 6   19  22 o 90.86641 42.26137 -6.906886      6.012598  6.288655       5.543999  -41.41395      68.21612 
1 1 1 6   19  23 o 111.3298 51.03468 5.205887       5.639803  0.000000       0.000000  ?              ?        
1 1 1 6   19  24 o 69.79814 34.59707 -1.941810      5.223545  -6.668905      6.205282  4.488838       56.16410 
1 1 1 6   19  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   19  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   19  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   20  0  o 167.8555 72.44833 -5.468184      13.18947  21.89831       14.40419  -80.61739      115.5003 
1 1 1 6   20  1  o 197.2976 72.61506 7.574026       10.19517  20.45938       14.11855  -53.12386      118.5297 
1 1 1 6   20  2  o 201.9843 67.54018 8.773571       9.677801  15.49285       10.23636  -35.54260      110.1884 
1 1 1 6   20  3  o 243.6286 65.41749 15.43813       9.779510  18.42373       10.44058  -16.41562      114.3012 
1 1 1 6   20  4  o 179.2533 67.40614 6.880393       9.703195  10.03077       10.72569  -17.11726      108.8703 
1 1 1 6   20  5  o 218.0642 73.15268 4.248236       13.79241  18.97260       10.29276  -64.39565      115.9824 
1 1 1 6   20  6  o 157.3645 66.57517 2.057345       13.43610  4.674753       9.810826  5.969009       108.5041 
1 1 1 6   20  7  o 248.3958 61.34582 12.95919       8.727255  21.44939       10.24596  -52.74802      110.2703 
1 1 1 6   20  8  o 182.4084 64.22670 12.63351       8.427458  3.247998       9.773582  46.69275       103.0416 
1 1 1 6   20  9  o 133.7303 58.09323 -4.421187      8.213344  9.317782       9.958776  -65.62826      97.44801 
1 1 1 6   20  10 o 179.9730 73.77367 7.363991       9.293514  0.000000       0.000000  ?              ?        
1 1 1 6   20  11 o 217.8101 68.19749 10.03376       9.429415  18.66364       11.30372  -46.67868      114.2027 
1 1 1 6   20  12 o 130.4469 55.82266 7.029676       7.830536  -3.901792      8.259234  44.05112       90.61974 
1 1 1 6   20  13 o 257.8895 55.18797 10.31801       8.305993  26.42566       8.843104  -112.4371      99.45953 
1 1 1 6   20  14 o 171.0264 58.98259 4.098726       7.461473  12.53542       7.727316  -50.85611      95.25254 
1 1 1 6   20  15 o 204.0904 56.80017 7.911874       7.541943  15.95386       7.368633  -56.45218      95.96957 
1 1 1 6   20  16 o 192.1331 56.75701 11.29513       7.351125  10.89915       7.119802  1.923523       95.72463 
1 1 1 6   20  17 o 111.5507 48.09533 0.7442617E-01  8.035714  2.564150       5.053832  4.502068       78.35079 
1 1 1 6   20  18 o 101.7482 46.37936 -4.521655      8.995943  1.737681       5.309189  -0.6417999     75.51377 
1 1 1 6   20  19 o 102.2495 46.82692 -3.933954      7.807075  3.434950       5.950961  -15.32083      74.28374 
1 1 1 6   20  20 o 125.5020 56.14355 0.000000       0.000000  6.283318       6.342563  ?              ?        
1 1 1 6   20  21 o 94.33112 44.67844 -5.595166      8.311677  2.874037       6.119045  -12.88667      70.26402 
1 1 1 6   20  22 o 84.63863 40.62597 3.790092       6.799942  -4.206383      5.695784  23.47954       65.70930 
1 1 1 6   20  23 o 78.84653 37.91176 -0.6158782     5.469735  -0.7958333     5.393456  0.7238998      59.79155 
1 1 1 6   20  24 o 76.11040 36.91838 -1.103245      5.347982  -0.3161513E-01 5.526520  -2.913727      57.57153 
1 1 1 6   20  25 o 67.40439 33.37208 -5.307143      4.761147  1.459842       5.794291  -16.71820      54.15835 
1 1 1 6   20  26 o 67.39979 33.28980 -1.812436      4.964405  -1.014862      5.174609  -2.091995      51.88582 
1 1 1 6   20  27 o 73.51958 35.84321 1.737143       5.191574  0.8836369      5.421080  1.410965       53.31261 
1 1 1 6   21  0  o 112.4944 54.54721 -0.9615552     10.28769  -17.64275      14.39555  11.15281       89.84510 
1 1 1 6   21  1  o 194.1283 77.60287 26.31681       14.24953  4.140448       14.02086  66.31017       118.2415 
1 1 1 6   21  2  o 161.9533 71.86941 9.730262       14.55429  3.324768       14.24263  15.69691       111.6951 
1 1 1 6   21  3  o 189.0583 72.28378 11.70229       14.59369  11.45182       10.19469  1.237289       114.3830 
1 1 1 6   21  4  o 198.0413 71.49043 18.10453       13.60641  9.589697       9.807011  33.61993       116.0913 
1 1 1 6   21  5  o 161.1524 62.84755 5.317602       8.397174  8.787141       9.921689  -19.34985      101.0579 
1 1 1 6   21  6  o 170.1863 63.54279 7.372295       8.011731  8.969070       10.50613  -11.94218      102.9451 
1 1 1 6   21  7  o 170.5962 64.46084 6.468539       8.370086  10.32080       10.72435  -22.15106      104.4642 
1 1 1 6   21  8  o 120.6286 55.18286 -8.044499      8.191540  10.66674       10.90014  -76.52589      96.02574 
1 1 1 6   21  9  o 221.6493 81.50011 16.98151       10.40781  0.000000       0.000000  ?              ?        
1 1 1 6   21  10 o 145.3590 63.30031 0.4617775      10.56512  5.941642       10.82829  -18.98645      101.5829 
1 1 1 6   21  11 o 171.5254 66.13988 7.446475       9.244665  9.707074       10.85456  -11.91042      105.5066 
1 1 1 6   21  12 o 156.5006 61.06119 3.494403       8.109118  10.45626       9.095124  -34.71669      97.81891 
1 1 1 6   21  13 o 164.7236 66.30399 13.02655       8.399528  -8.125744      15.17203  50.47543       101.0467 
1 1 1 6   21  14 o 175.5978 57.89525 12.06098       7.491838  7.054399       7.148248  30.28406       94.31413 
1 1 1 6   21  15 o 100.2000 46.42007 0.4649968      6.952583  -2.860693      6.753481  12.35975       76.36308 
1 1 1 6   21  16 o 151.7967 63.34099 7.905521       7.019556  0.000000       0.000000  ?              ?        
1 1 1 6   21  17 o 144.0432 53.89241 2.036803       8.803775  8.634787       5.374665  -29.35337      83.40800 
1 1 1 6   21  18 o 97.21078 45.72395 2.345165       9.960622  -1.318546      5.779863  22.33474       75.40569 
1 1 1 6   21  19 o 127.0856 53.95995 5.365788       9.680095  6.844082       6.226648  -6.237244      81.33283 
1 1 1 6   21  20 o 101.7787 48.73261 0.000000       0.000000  0.7260276      6.197266  ?              ?        
1 1 1 6   21  21 o 95.04818 44.91909 4.588074       8.468751  -0.3182117     6.062298  15.01138       70.08818 
1 1 1 6   21  22 o 96.81168 45.75460 6.557173       8.183921  0.7815164      6.553835  12.79737       68.96066 
1 1 1 6   21  23 o 67.56600 33.62772 -7.363235      5.434118  0.3150826      5.688907  -14.87817      54.73879 
1 1 1 6   21  24 o 75.68036 36.87411 0.8543576      5.619271  -1.629877      5.557262  5.268555       57.03251 
1 1 1 6   21  25 o 87.25920 41.60759 3.549079       5.417832  6.255526       7.637614  -2.844406      59.78577 
1 1 1 6   21  26 o 94.40121 42.79045 4.955368       5.216981  7.880655       5.624904  -6.147804      59.77173 
1 1 1 6   22  0  f 125.7279 59.50762 4.281701       10.80560  -8.245089      14.73034  12.90189       93.59044 
1 1 1 6   22  1  o 171.5194 76.07102 10.54825       15.59007  14.12584       16.67559  -6.729034      113.3545 
1 1 1 6   22  2  o 146.8853 68.63584 0.5903573      15.12247  7.202955       15.88757  -12.43726      105.9736 
1 1 1 6   22  3  o 119.6121 57.73046 -2.579227      12.01530  -6.055593      13.95932  -0.3079224E-01 92.86852 
1 1 1 6   22  4  o 202.6961 75.32921 11.37685       11.08234  26.38662       15.09405  -39.66089      117.7603 
1 1 1 6   22  5  o 181.8314 71.28856 5.965228       10.20716  23.38086       14.17509  -56.35257      113.5087 
1 1 1 6   22  6  o 249.4005 63.06974 14.80442       8.749138  26.68736       11.23432  -53.74347      113.3066 
1 1 1 6   22  7  o 136.5806 62.38289 1.631346       8.326152  0.000000       0.000000  ?              ?        
1 1 1 6   22  8  o 154.7644 67.52491 6.040964       8.640131  0.000000       0.000000  ?              ?        
1 1 1 6   22  9  f 141.2779 62.32500 7.323326       10.42732  -0.1267269     10.93475  20.86490       98.33817 
1 1 1 6   22  10 o 127.3784 57.79993 5.957168       9.678992  -3.957836      10.14091  26.74846       92.58095 
1 1 1 6   22  11 o 118.4704 54.93674 1.033548       9.040442  -2.671785      10.35210  4.405853       88.60587 
1 1 1 6   22  12 o 98.03963 46.77312 -5.305089      7.534177  -1.610312      8.370555  -14.57745      78.07320 
1 1 1 6   22  13 o 116.2404 51.59046 0.7862389      7.190313  2.826977       7.674387  -9.370804      82.55393 
1 1 1 6   22  14 o 120.5199 52.39221 -0.3920441     7.384642  6.192007       7.217031  -24.68945      82.86266 
1 1 1 6   22  15 o 99.19265 46.74712 5.634339       7.546409  -7.921155      7.365559  39.12569       77.07270 
1 1 1 6   22  16 o 94.42672 44.22934 -2.384641      7.526206  0.5003750      5.800316  -0.5625916     71.15093 
1 1 1 6   22  17 o 98.29261 45.55435 1.399422       9.643854  0.6335621      5.340816  13.84904       73.52354 
1 1 1 6   22  18 o 88.27007 43.13394 -10.77447      9.834878  0.6679080E-01  6.670734  -7.258499      69.24335 
1 1 1 6   22  19 o 108.8907 50.22309 4.943852       10.00714  2.992966       6.720663  6.810257       76.55079 
1 1 1 6   22  20 f 96.07746 46.84269 0.000000       0.000000  0.7562034      6.405607  ?              ?        
1 1 1 6   22  21 o 73.75800 36.98241 -8.802435      8.790283  -3.830225      6.373601  1.159172       59.32161 
1 1 1 6   22  22 o 96.17448 45.62048 -1.674337      8.129739  9.161134       6.710671  -20.44607      66.46922 
1 1 1 6   22  23 o 78.06902 37.94988 -0.9066638     5.747465  1.423951       5.906666  -4.956177      58.06629 
1 1 1 6   22  24 o 84.50613 42.09026 4.590528       6.203570  0.000000       0.000000  ?              ?        
1 1 1 6   22  25 o 72.80668 35.79589 0.5345665      5.564071  1.229842       5.710282  -1.294807      53.41793 
1 1 1 6   22  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   23  0  o 107.4245 52.59541 3.042900       10.17017  -19.87315      14.50222  19.31828       83.84941 
1 1 1 6   23  1  o 108.5277 51.87051 -7.856578      9.105542  6.761668       10.76839  -35.88578      84.99901 
1 1 1 6   23  2  o 139.1169 60.72527 3.221643       9.087560  10.13792       10.95562  -21.56744      94.04053 
1 1 1 6   23  3  o 106.8206 51.39069 -4.132123      9.169326  -2.188886      11.13829  -11.01994      83.59833 
1 1 1 6   23  4  o 119.4726 59.22432 -9.235138      16.30732  -7.922194      16.85358  -2.527069      94.29459 
1 1 1 6   23  5  o 165.8066 74.58598 17.06164       15.99156  7.836937       16.15611  16.72556       109.9987 
1 1 1 6   23  6  o 109.5192 54.54507 -10.87629      10.41110  0.000000       0.000000  ?              ?        
1 1 1 6   23  7  o 132.0552 63.29888 1.668815       10.51917  0.000000       0.000000  ?              ?        
1 1 1 6   23  8  o 121.5656 57.58515 0.3064555      11.35529  0.4312315      11.82693  -1.270782      90.20382 
1 1 1 6   23  9  o 148.5939 64.00346 3.646913       10.23347  13.40778       11.22271  -27.88141      97.73666 
1 1 1 6   23  10 o 120.8196 56.42908 -7.374232      9.931907  12.37193       11.05956  -47.68314      90.74203 
1 1 1 6   23  11 o 96.47674 47.43018 -11.45109      9.541571  -0.7177730     10.27744  -21.06536      78.56958 
1 1 1 6   23  12 o 164.5493 64.78091 14.00243       9.103391  8.609254       10.45104  21.88853       96.99743 
1 1 1 6   23  13 o 124.8829 54.08680 8.504724       8.170444  1.953809       7.336640  23.34666       83.74020 
1 1 1 6   23  14 o 107.7594 49.41618 0.9510782      7.749666  2.763032       7.249953  -3.963249      77.02687 
1 1 1 6   23  15 f 117.2449 54.74005 5.834383       7.696074  -5.325395      16.10231  8.340141       82.87128 
1 1 1 6   23  16 o 92.07555 43.25660 2.513054       7.515968  -1.741706      5.523289  19.37012       70.22414 
1 1 1 6   23  17 o 89.17528 42.79817 -3.443044      9.814002  -0.5390840     5.567281  7.862846       68.96940 
1 1 1 6   23  18 o 92.20976 44.79286 -3.521193      9.911507  0.8055189      6.989686  -1.101700      69.51476 
1 1 1 6   23  19 o 96.71895 46.30564 -4.314492      10.28384  5.100950       6.664074  -11.83907      69.43336 
1 1 1 6   23  20 o 103.1651 49.96413 0.000000       0.000000  6.569120       6.969075  ?              ?        
1 1 1 6   23  21 o 81.34667 40.28879 7.882959       9.451214  -4.098834      6.540915  18.07112       62.30356 
1 1 1 6   23  22 o 81.26252 40.21661 7.691252       9.674113  -2.666659      6.373087  14.95026       61.37127 
1 1 1 6   23  23 o 75.24595 37.00595 0.8487670      6.097213  1.064137       5.979464  -0.2392731     55.17747 
1 1 1 6   23  24 o 67.61811 33.81598 -6.057363      5.664839  4.412470       6.209402  -15.26071      52.37861 
1 1 1 6   23  25 o 64.64069 32.53871 0.8859035      5.852141  -3.957981      6.029126  5.433273       49.33539 
1 1 1 6   24  0  o 121.8935 57.64333 -1.893054      9.549297  18.21594       15.58497  -34.89432      90.90782 
1 1 1 6   24  1  o 117.3522 54.91428 6.911777       9.402162  -4.231117      10.66715  21.48167       85.08867 
1 1 1 6   24  2  o 144.6871 62.46572 12.09251       9.562546  5.284062       11.06611  19.34067       92.60006 
1 1 1 6   24  3  o 105.2465 50.79267 -7.050579      9.231813  5.572313       10.90370  -27.53809      81.87025 
1 1 1 6   24  4  o 134.1167 61.41519 7.444316       9.232586  2.513771       17.23487  4.817322       92.40419 
1 1 1 6   24  5  o 114.0123 54.77998 -0.1404282     9.066031  -1.348100      16.85397  -11.59651      86.77045 
1 1 1 6   24  6  o 120.2607 59.74846 -3.731822      12.18737  0.000000       0.000000  ?              ?        
1 1 1 6   24  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   24  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   24  9  o 115.4651 54.83910 1.654129       10.14252  -0.4476759     11.21955  1.846886       85.30673 
1 1 1 6   24  10 o 97.31464 48.05931 -12.12014      10.18973  0.2436286      10.94593  -20.81229      78.61264 
1 1 1 6   24  11 o 107.5077 51.54934 -9.196851      9.084492  11.85780       10.94090  -45.57032      84.31663 
1 1 1 6   24  12 o 100.4742 47.71975 3.862604       7.841178  -5.456722      8.292433  20.32144       75.89009 
1 1 1 6   24  13 o 99.24277 46.71745 -4.828165      7.630109  4.628803       7.202288  -22.95678      74.07310 
1 1 1 6   24  14 o 127.0313 54.96900 9.177966       7.873561  3.949141       8.048947  16.40379       82.33755 
1 1 1 6   24  15 o 128.6253 59.87510 9.813955       8.209322  0.000000       0.000000  ?              ?        
1 1 1 6   24  16 o 71.46630 35.75032 -1.011156      8.562369  -9.237629      5.609372  25.75842       61.86143 
1 1 1 6   24  17 o 90.38564 43.34257 -0.4486577     10.47974  0.9282383      5.605732  5.703629       67.38833 
1 1 1 6   24  18 o 97.28260 47.03083 12.26654       12.92014  0.8238963      6.927812  14.16296       70.70358 
1 1 1 6   24  19 o 66.47263 33.81890 -13.97596      10.39122  -7.884421      6.262870  6.609924       55.23804 
1 1 1 6   24  20 o 86.56125 43.34075 0.000000       0.000000  1.592806       6.968856  ?              ?        
1 1 1 6   24  21 o 85.14378 41.90410 0.1863111      9.543858  3.905381       6.742136  -3.816376      61.21075 
1 1 1 6   24  22 o 67.99120 34.62417 -7.118053      9.624170  -3.410845      7.120933  0.6331558      52.91555 
1 1 1 6   24  23 o 60.67049 30.98271 -10.22009      7.536251  -4.621347      6.345856  -2.000450      48.67495 
1 1 1 6   24  24 o 78.37354 38.52550 -1.096927      6.249036  11.82682       6.824850  -16.45369      55.08578 
1 1 1 6   25  0  o 108.6467 52.93987 5.369687       9.687968  -12.33539      15.06283  14.03208       80.83399 
1 1 1 6   25  1  o 115.2592 54.48535 2.553846       9.463972  4.114388       11.32385  -4.578636      82.63040 
1 1 1 6   25  2  o 122.6967 58.13906 11.92629       9.728160  -11.31540      16.36227  27.52611       85.71946 
1 1 1 6   25  3  o 120.5120 57.18542 7.005972       9.407319  -4.452690      16.28582  10.59690       85.63820 
1 1 1 6   25  4  o 122.4309 58.11010 7.674498       9.641879  -4.305784      17.29469  11.08810       86.49593 
1 1 1 6   25  5  o 94.37733 46.92276 -10.20305      11.14919  -2.303509      10.31248  -7.787209      74.72879 
1 1 1 6   25  6  f 98.39286 48.82455 -5.301431      11.34593  -4.001524      11.40209  -1.687531      76.66731 
1 1 1 6   25  7  o 111.6044 53.68467 3.901608       10.38497  -0.5704921     11.53858  5.724564       81.49585 
1 1 1 6   25  8  o 96.79287 47.92627 0.8049035      10.39753  -10.55284      11.11297  13.12279       75.83100 
1 1 1 6   25  9  o 98.24966 48.69789 -5.313692      10.72092  -2.730153      11.73346  -5.187088      76.35256 
1 1 1 6   25  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   25  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   25  12 o 96.09908 46.87843 -0.4404164     9.201886  -1.462177      9.015659  2.002029       72.62503 
1 1 1 6   25  13 o 108.7506 51.03175 0.6928926      8.998266  7.325727       8.460406  -13.16767      76.13377 
1 1 1 6   25  14 o 87.28751 43.21177 -3.426178      8.951686  -2.370752      8.494361  -0.4750366     67.47320 
1 1 1 6   25  15 o 105.1209 52.20843 5.532190       9.273668  0.000000       0.000000  ?              ?        
1 1 1 6   25  16 o 90.45609 43.74318 -1.725536      12.03591  2.264196       5.891016  0.5571136      66.20628 
1 1 1 6   25  17 o 84.66324 43.46035 -8.338029      10.85056  0.000000       0.000000  ?              ?        
1 1 1 6   25  18 o 92.16132 45.19566 -5.803342      12.29699  7.248903       7.218369  -12.74094      65.52508 
1 1 1 6   25  19 o 79.36838 39.70956 0.3929425      11.19046  -1.624787      6.781270  6.144463       60.28098 
1 1 1 6   25  20 o 81.33935 41.12236 0.000000       0.000000  2.335414       7.133650  ?              ?        
1 1 1 6   25  21 f 81.23269 40.55169 10.91297       10.30067  0.9001199      7.195720  7.696976       58.12572 
1 1 1 6   25  22 o 70.39865 35.67981 7.156851       10.38933  -3.668282      6.623247  9.390854       53.23568 
1 1 1 6   25  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   26  2  o 108.8268 53.28656 -0.6583626     9.861800  10.76447       17.17745  -14.59370      80.83417 
1 1 1 6   26  3  o 97.94801 48.16162 -5.562905      9.724234  2.923586       10.77748  -13.55602      75.00746 
1 1 1 6   26  4  o 121.7800 56.28772 2.049913       9.903440  12.68948       10.07378  -20.67977      82.60749 
1 1 1 6   26  5  o 105.8933 51.90741 -3.959738      11.05715  8.754086       12.17088  -16.28482      78.33020 
1 1 1 6   26  6  o 83.58410 42.37235 -14.47411      10.62634  -9.765525      11.83420  -7.324486      68.72002 
1 1 1 6   26  7  o 128.0397 59.84198 5.172064       11.20715  15.78687       12.46384  -15.34727      85.94316 
1 1 1 6   26  8  o 104.8751 51.35651 5.720108       10.80898  -3.393745      11.73362  10.66389       77.21712 
1 1 1 6   26  9  o 87.17091 43.75262 -4.487479      10.20623  -8.192442      10.48539  3.325684       68.90440 
1 1 1 6   26  10 o 93.66823 46.13589 -4.133944      9.647116  2.312603       9.363174  -8.302254      70.68095 
1 1 1 6   26  11 o 98.62176 47.33672 6.858837       8.593978  -1.577381      8.185843  15.39568       71.48448 
1 1 1 6   26  12 o 90.05264 44.25016 6.605409       8.996523  -6.116984      8.204935  19.88350       68.52524 
1 1 1 6   26  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   26  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   26  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   26  16 o 91.28252 44.62924 -7.998866      13.98873  5.393757       6.550982  -9.617126      65.34792 
1 1 1 6   26  17 o 69.55547 35.24744 0.5990138      15.38383  -7.239639      5.812901  17.87839       57.60497 
1 1 1 6   26  18 o 89.78503 44.16000 2.956841       12.00450  7.436736       7.056761  -7.009209      62.01182 
1 1 1 6   26  19 o 83.62955 42.15931 0.000000       0.000000  5.538554       7.192624  ?              ?        
1 1 1 6   26  20 o 90.39548 45.23428 0.000000       0.000000  12.77354       7.540155  ?              ?        
1 1 1 6   26  21 o 68.57982 34.89923 16.28991       10.73628  -7.788165      6.788260  16.66052       52.90821 
1 1 1 6   27  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   27  5  o 111.1960 54.19212 10.84886       11.77047  2.704177       12.43828  9.295425       77.89594 
1 1 1 6   27  6  o 95.54665 47.76637 2.954354       11.24006  -6.517159      12.36430  7.746117       72.10284 
1 1 1 6   27  7  o 120.9329 57.41209 14.01978       11.30923  8.332141       11.99806  8.350975       80.07064 
1 1 1 6   27  8  o 91.04028 45.58068 -11.27734      10.31293  9.877312       11.58326  -21.96460      70.42000 
1 1 1 6   27  9  o 85.48313 42.71073 -2.259209      9.355054  -3.062473      9.332106  0.9329681      65.54607 
1 1 1 6   27  10 o 92.75233 45.54124 -3.928339      9.210472  7.123662       8.850049  -14.47337      68.12663 
1 1 1 6   27  11 o 85.19789 42.34232 -0.7595124     8.904493  -1.063645      8.479601  0.9058762      64.23529 
1 1 1 6   27  12 o 100.6452 48.53875 -0.9415979     9.600368  12.17101       8.604668  -19.01892      69.77985 
1 1 1 6   27  13 o 86.80506 43.17251 1.948434       10.11172  0.8729594      8.332505  2.061218       63.84747 
1 1 1 6   27  14 o 98.93584 47.58924 3.557561       10.00119  9.664572       7.626709  -10.59551      66.73524 
1 1 1 6   27  15 o 79.41043 40.96092 -7.966680      11.26928  0.000000       0.000000  ?              ?        
1 1 1 6   27  16 o 64.76436 32.98381 -9.847822      9.390189  -6.361737      6.251340  4.216850       52.38226 
1 1 1 6   27  17 o 79.68807 41.37489 0.000000       0.000000  -3.483381      16.20031  ?              ?        
1 1 1 6   27  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   27  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   28  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 6   28  9  o 72.83376 37.04063 -6.039550      9.202181  -11.05087      8.874152  4.996223       58.67187 
1 1 1 6   28  10 o 75.87167 38.36395 -5.125579      9.109271  -5.113460      8.521743  1.013824       59.43446 
1 1 1 6   28  11 o 85.10311 42.43857 4.093269       9.367652  -1.483247      8.730723  6.161400       62.82240 
1 1 1 6   28  12 o 77.88789 39.36828 4.277770       9.906273  -7.829888      8.648941  11.60575       59.93690 
1 1 1 6   28  13 o 70.16521 35.84257 -10.82540      10.04572  -5.682233      8.617809  -1.251144      55.53645 
1 1 1 6   28  14 o 81.68372 40.98932 0.000000       0.000000  2.353832       6.401167  ?              ?        
1 1 1 6   28  15 o 67.14780 34.39058 -18.07252      13.63754  -4.828491      7.245966  1.470230       53.00955 
1 1 1 6   28  16 o 80.53957 41.82542 12.99256       16.80989  0.000000       0.000000  ?              ?        
1 1 1 7   -24 0  o 87.27955 40.32941 4.727890       5.673658  -0.5849273     4.704578  18.99805       63.06826 
1 1 1 7   -24 1  o 89.70347 41.44191 10.02012       5.927272  -3.860121      4.999377  46.89419       66.77944 
1 1 1 7   -24 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   -23 0  o 72.90301 35.34640 2.216813       5.348264  -5.784534      4.657540  26.27807       59.28288 
1 1 1 7   -23 1  o 79.42082 37.85156 0.7260008      5.458646  -2.038633      4.903727  10.45810       60.73486 
1 1 1 7   -23 2  o 81.95070 39.07705 -0.4468429     6.179425  -0.9037184     5.023849  5.814896       62.38405 
1 1 1 7   -23 3  o 107.0517 45.84798 6.274095       5.728090  2.146913       5.172276  17.25987       70.33300 
1 1 1 7   -23 4  o 73.81339 36.20997 -3.371256      5.644910  -3.497818      5.686655  0.7074738E-01  59.15250 
1 1 1 7   -22 0  o 116.0441 46.32426 0.7443417      5.355361  7.792184       4.756458  -36.74702      70.93417 
1 1 1 7   -22 1  o 74.39300 35.86223 -0.6650383     5.351960  -3.653694      4.600210  13.62121       59.58717 
1 1 1 7   -22 2  o 76.67739 36.95664 -6.494565      5.399834  1.082444       5.081800  -19.89127      61.19551 
1 1 1 7   -22 3  o 63.43265 31.70484 -5.351371      5.530749  -7.997495      4.870605  10.59957       54.89634 
1 1 1 7   -22 4  o 115.6540 46.79439 5.267714       5.227920  4.079827       5.184433  5.930481       72.08025 
1 1 1 7   -22 5  o 77.08418 37.45367 -3.120878      5.651206  -2.912917      5.661525  -0.5841064     61.43320 
1 1 1 7   -22 6  o 98.20755 44.49998 -1.005300      5.832577  4.826517       5.855547  -20.32673      69.65173 
1 1 1 7   -22 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   -21 0  o 84.53010 39.40576 -2.958691      5.412446  0.7347997      4.764475  -9.199066      64.23660 
1 1 1 7   -21 1  f 84.96729 39.27578 -0.4933799     5.091712  -0.5116012     4.664635  2.822639       63.96165 
1 1 1 7   -21 2  o 96.27953 44.99858 0.000000       0.000000  -0.1494904     4.712323  ?              ?        
1 1 1 7   -21 3  o 127.7656 48.63119 5.646425       5.705706  5.340744       5.027377  1.331131       76.18285 
1 1 1 7   -21 4  o 68.29422 33.57005 -4.796318      4.939852  -4.563059      4.956221  -0.7475052     57.02666 
1 1 1 7   -21 5  f 77.36288 36.98348 -3.124127      4.987955  -1.526517      5.021462  -5.403946      61.33678 
1 1 1 7   -21 6  o 114.3368 47.64063 4.847322       5.534816  3.141697       5.675537  7.731995       73.92480 
1 1 1 7   -21 7  o 100.4633 44.71852 1.898735       5.415492  1.968310       5.841962  -1.655708      70.29550 
1 1 1 7   -21 8  o 105.4481 47.71601 4.977986       8.905074  1.364818       5.585836  16.72151       75.77621 
1 1 1 7   -20 0  o 91.65038 41.69485 -1.520935      5.958700  0.6685830      4.663600  -0.2481613     68.08198 
1 1 1 7   -20 1  o 120.4913 52.34342 1.432083       7.803451  4.584689       6.841668  -9.045967      82.24014 
1 1 1 7   -20 2  o 91.01996 43.66541 3.920157       7.542259  -9.220015      6.747778  40.39686       74.47858 
1 1 1 7   -20 3  o 110.6412 50.13168 0.3535991      7.489983  2.459208       7.343775  -6.300568      79.49389 
1 1 1 7   -20 4  o 126.7917 54.58871 3.764432       7.740713  5.478575       7.805000  -6.232841      84.59793 
1 1 1 7   -20 5  o 99.18713 44.93154 -5.241112      7.521286  3.432787       5.079439  -17.29667      71.49371 
1 1 1 7   -20 6  o 115.0502 46.33096 2.470772       4.875925  5.198963       5.304885  -16.05430      73.27490 
1 1 1 7   -20 7  o 64.52443 32.28114 -8.372356      5.358624  -7.610068      5.477120  -2.612503      56.36034 
1 1 1 7   -20 8  o 69.91273 34.43840 -1.253550      5.242088  -9.482386      5.356841  20.07236       59.34454 
1 1 1 7   -20 9  o 82.74026 39.91130 -11.46050      8.655989  -0.2298216     5.011790  -4.497704      65.79389 
1 1 1 7   -20 10 o 99.88255 43.93406 4.780933       5.042748  -1.684463      5.523551  25.94448       69.42148 
1 1 1 7   -19 0  o 122.0378 47.61047 2.492620       6.249457  4.164883       4.552182  -2.630470      76.87663 
1 1 1 7   -19 1  o 88.95039 42.32196 -2.891686      6.560809  -3.588920      6.239861  4.476059       70.96297 
1 1 1 7   -19 2  o 88.72515 42.30180 -4.669467      6.773415  -2.065655      6.179044  -3.573326      70.64367 
1 1 1 7   -19 3  o 90.17258 42.90103 1.072202       7.524297  -5.537637      5.903770  30.34499       73.37492 
1 1 1 7   -19 4  o 98.78999 46.33054 -1.885029      7.691907  -1.840451      6.736450  5.354301       76.24770 
1 1 1 7   -19 5  o 96.34499 45.19548 4.961571       6.957928  -8.145755      6.704077  43.88041       75.90936 
1 1 1 7   -19 6  o 78.54262 38.16292 -5.215298      4.935335  -3.439394      7.686798  -24.64639      67.19076 
1 1 1 7   -19 7  o 91.17882 44.49751 -6.845642      7.713608  -3.602551      8.869010  -12.50222      74.20084 
1 1 1 7   -19 8  o 93.93997 46.19088 -7.241929      8.614114  -4.952894      10.42734  -11.22453      76.27238 
1 1 1 7   -19 9  o 118.5829 54.16044 1.224582       8.380486  3.822371       9.467381  -9.476707      84.81869 
1 1 1 7   -19 10 o 94.77655 44.81350 7.019860       10.20289  -3.758211      5.613100  43.30809       78.00570 
1 1 1 7   -19 11 o 118.6373 47.71241 3.882438       5.390354  4.317820       5.362712  -2.271515      74.98006 
1 1 1 7   -19 12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   -18 0  o 110.6221 45.01030 0.5275863E-01  5.497698  3.303076       4.384921  -11.38194      73.07719 
1 1 1 7   -18 1  o 181.6213 54.35504 0.000000       0.000000  9.296960       4.666466  ?              ?        
1 1 1 7   -18 2  o 78.69949 37.65076 -2.274833      6.447903  -4.672578      4.486159  27.50945       67.05007 
1 1 1 7   -18 3  o 135.6492 46.38656 6.198296       5.005836  3.665657       4.430783  21.69476       76.40269 
1 1 1 7   -18 4  o 115.6795 46.45654 1.398913       5.579688  3.700293       4.709198  -8.747322      74.91501 
1 1 1 7   -18 5  o 91.06495 40.56025 -1.123095      4.639431  1.060157       4.616636  -10.73605      66.79034 
1 1 1 7   -18 6  o 141.3826 47.79742 6.034012       4.844102  5.040617       5.128241  7.139969       78.16761 
1 1 1 7   -18 7  o 108.9381 48.09240 0.5904546      6.187059  1.643344       6.559482  -6.409294      77.81092 
1 1 1 7   -18 8  o 117.4435 49.33377 2.235934       6.493294  3.435038       5.741996  -2.665184      78.64677 
1 1 1 7   -18 9  o 128.6506 52.10626 6.028910       6.925385  3.507211       6.081631  13.86178       82.47753 
1 1 1 7   -18 10 o 134.8954 62.94302 4.549304       9.158418  0.000000       0.000000  ?              ?        
1 1 1 7   -18 11 o 78.15302 38.57286 -4.954025      5.504967  -12.80869      9.629585  -11.02251      66.76095 
1 1 1 7   -18 12 o 105.7494 51.27740 -9.550714      10.66448  3.022814       10.26955  -20.90061      82.28080 
1 1 1 7   -18 13 o 141.2873 62.59588 11.46575       11.37867  5.349327       10.43517  14.55730       93.71593 
1 1 1 7   -17 0  o 141.2990 47.72570 6.607252       5.569175  3.677620       4.522827  27.75850       79.66035 
1 1 1 7   -17 1  o 165.6225 46.58207 5.023520       5.491202  8.363327       4.597371  -27.92375      79.51965 
1 1 1 7   -17 2  o 149.1662 48.12867 4.623739       5.577939  6.302969       4.676597  -10.42406      80.10925 
1 1 1 7   -17 3  o 252.2509 37.39666 10.85697       6.711561  17.99773       5.005856  -74.22572      79.38512 
1 1 1 7   -17 4  o 160.0246 46.98793 5.720404       5.037119  7.602583       4.904918  -16.22455      79.82142 
1 1 1 7   -17 5  o 101.0990 43.60563 3.371895       5.443004  -1.334757      4.613208  32.92959       72.71489 
1 1 1 7   -17 6  o 100.1974 44.18892 -2.257083      5.953100  1.842556       4.916277  -10.95084      72.56606 
1 1 1 7   -17 7  o 90.82134 40.89913 -0.1885456     4.857777  -0.7817456     4.837969  2.987808       67.73437 
1 1 1 7   -17 8  o 197.3428 43.04141 14.25560       5.253666  6.787759       4.996489  68.31783       78.43853 
1 1 1 7   -17 9  o 94.08018 43.29595 -1.064142      7.090073  -1.239888      5.051069  15.31409       72.81396 
1 1 1 7   -17 10 o 139.4923 63.01790 4.398297       8.213700  0.000000       0.000000  ?              ?        
1 1 1 7   -17 11 o 104.0120 45.12314 7.448639       6.024967  -2.443306      4.923348  54.56907       74.71603 
1 1 1 7   -17 12 o 165.9566 54.28567 4.096166       6.329817  13.93490       6.546763  -62.91170      86.76733 
1 1 1 7   -17 13 o 143.8132 53.53719 9.702958       6.340768  3.895740       6.432915  31.78944       83.96179 
1 1 1 7   -17 14 o 127.2333 51.33326 6.379824       6.285234  3.411203       6.205741  14.52923       80.39375 
1 1 1 7   -16 0  o 99.15173 43.02560 -0.8670802     5.363285  0.5385478      4.546301  0.8632355      71.94447 
1 1 1 7   -16 1  o 123.4389 46.57622 -2.370106      5.315725  6.786401       4.516875  -57.27943      73.49441 
1 1 1 7   -16 2  o 97.39709 42.19233 3.613679       5.249225  -2.375677      4.293555  45.56499       71.73799 
1 1 1 7   -16 3  o 125.2596 46.73787 5.519734       5.653933  1.828734       4.345647  36.03935       77.94283 
1 1 1 7   -16 4  o 101.6955 43.90073 3.043307       6.595882  -0.8854490     4.250763  42.87032       76.50592 
1 1 1 7   -16 5  o 158.2890 46.81210 7.573280       5.461637  5.483832       4.509686  20.20609       80.25562 
1 1 1 7   -16 6  o 103.8632 43.03973 1.368929       4.568829  1.194948       4.508156  1.657501       70.71889 
1 1 1 7   -16 7  o 121.4378 48.18884 -0.7721109     6.163935  5.057458       4.879879  -25.85398      77.47636 
1 1 1 7   -16 8  o 205.8625 38.73093 8.936797       4.777975  12.30057       4.751134  -34.26703      75.66730 
1 1 1 7   -16 9  o 143.5780 54.79992 0.000000       0.000000  5.493187       4.798012  ?              ?        
1 1 1 7   -16 10 o 78.94851 37.24949 -0.6254424     4.714427  -4.792316      4.802582  15.76177       63.53476 
1 1 1 7   -16 11 o 129.1396 46.44948 -1.613898      4.435348  12.43698       5.129119  -107.3223      71.29320 
1 1 1 7   -16 12 o 99.03715 42.82896 2.880459       4.863118  -0.6704919     4.790150  19.14427       69.61344 
1 1 1 7   -16 13 o 131.3388 47.59419 4.178886       5.104354  5.475122       4.888211  -8.510574      76.57825 
1 1 1 7   -16 14 o 113.5503 46.51110 3.258905       5.170256  2.853372       5.269321  1.835258       74.04519 
1 1 1 7   -16 15 o 88.06710 40.39217 -2.501790      5.125894  1.172968       4.892571  -13.44920      66.24141 
1 1 1 7   -15 0  o 442.1210 23.05304 44.75919       6.491263  42.74994       6.125832  9.507721       46.77573 
1 1 1 7   -15 1  o 222.0181 37.02542 14.18991       5.327408  9.544503       4.593323  43.73575       73.73792 
1 1 1 7   -15 2  o 194.5413 42.64278 5.678538       5.264883  11.85871       4.778001  -59.02272      77.05740 
1 1 1 7   -15 3  o 397.0287 33.60352 0.000000       0.000000  36.07566       5.797142  ?              ?        
1 1 1 7   -15 4  o 119.5121 46.03003 2.454230       5.649103  2.522837       4.269276  11.27738       76.58127 
1 1 1 7   -15 5  o 362.7845 28.78890 18.69488       7.643133  36.16372       5.650440  -131.3286      73.68458 
1 1 1 7   -15 6  o 317.4162 28.94888 18.69263       5.867364  26.85651       5.432454  -64.40506      62.97241 
1 1 1 7   -15 7  o 288.7430 29.14685 16.69438       5.269415  21.57107       5.036851  -42.12827      62.22755 
1 1 1 7   -15 8  o 110.8789 43.95538 2.914733       4.585168  1.309632       4.415005  12.57344       72.00123 
1 1 1 7   -15 9  o 132.2428 49.49813 -1.076540      6.970855  6.227883       4.653957  -30.25841      79.15273 
1 1 1 7   -15 10 o 107.8346 43.76903 0.4032743      4.515676  3.604189       4.628798  -21.55041      71.26036 
1 1 1 7   -15 11 o 152.3672 52.60350 -1.926845      7.798879  9.931348       5.102374  -60.58941      81.28030 
1 1 1 7   -15 12 o 105.9057 44.00614 1.282250       4.718307  2.246424       4.807981  -6.341393      71.50052 
1 1 1 7   -15 13 o 126.9232 47.27576 7.683775       5.013070  0.7983046      4.949938  47.07001       75.40281 
1 1 1 7   -15 14 o 96.42074 42.28808 3.048757       4.918970  -1.505726      4.778656  24.00043       69.05836 
1 1 1 7   -15 15 o 104.4148 44.28038 1.666177       4.982821  2.060353       4.971200  -2.021751      71.19154 
1 1 1 7   -15 16 o 153.8884 48.10491 8.158919       5.161061  6.182643       5.035567  14.98041       79.66936 
1 1 1 7   -14 0  f 86.94307 37.36661 1.457440       3.587850  -1.508217      3.673174  19.16453       62.40364 
1 1 1 7   -14 1  o 254.3871 27.92753 13.80379       4.446663  15.52259       4.230656  -17.02536      58.38041 
1 1 1 7   -14 2  o 114.7948 43.73222 0.3196677      4.534237  3.944949       4.126870  -23.83078      71.43882 
1 1 1 7   -14 3  o 141.5624 46.30183 4.555257       5.212645  4.569287       4.285908  5.626114       77.77758 
1 1 1 7   -14 4  o 405.7311 24.44123 25.60791       6.353200  46.53709       5.916011  -124.0650      54.03806 
1 1 1 7   -14 5  o 66.82410 32.91508 -10.94283      5.460468  -4.463085      4.388896  -5.844841      59.36914 
1 1 1 7   -14 6  o 230.6349 36.05591 10.97116       5.307923  13.53803       4.722513  -27.25952      73.58990 
1 1 1 7   -14 7  o 210.7105 38.82706 13.59144       5.277773  8.278138       4.573641  51.02054       75.28223 
1 1 1 7   -14 8  o 297.2748 28.01319 19.99459       5.321016  20.35645       4.913128  -5.015137      58.52376 
1 1 1 7   -14 9  o 91.88838 40.01435 0.8835897      4.462615  -0.8939430     4.106017  14.60268       66.97664 
1 1 1 7   -14 10 o 358.4976 25.47208 33.86583       5.733907  25.24411       5.527138  55.58881       53.04480 
1 1 1 7   -14 11 o 259.3480 32.77356 17.99053       5.125259  14.09261       5.185370  36.65811       69.84141 
1 1 1 7   -14 12 o 111.9591 44.60456 2.521403       4.290563  2.199817       5.127941  -3.593727      72.75207 
1 1 1 7   -14 13 o 222.8329 39.23215 13.97601       5.243052  11.20163       5.207117  26.69489       78.86501 
1 1 1 7   -14 14 o 122.1020 46.50226 -0.2743993     4.820256  7.725359       4.940763  -54.70532      74.07285 
1 1 1 7   -14 15 o 109.2401 45.15429 0.8510668      4.931219  3.809739       5.025846  -17.38810      72.71626 
1 1 1 7   -14 16 o 120.2011 46.18909 5.605729       4.917068  1.930677       4.770973  24.49308       74.04755 
1 1 1 7   -14 17 o 123.1762 47.13839 4.091044       4.993224  4.155013       5.066483  -0.5978012     75.33349 
1 1 1 7   -13 0  f 284.5208 24.75675 16.22338       4.149035  20.50135       4.527642  -33.95120      50.83783 
1 1 1 7   -13 1  o 165.5741 36.03357 8.602080       3.636438  4.387511       3.556127  48.51700       65.48465 
1 1 1 7   -13 2  o 131.4050 40.47783 3.947334       3.643890  4.020254       3.604274  -0.4960785     68.42307 
1 1 1 7   -13 3  o 93.98504 39.35728 -0.5521627     4.256986  1.262967       3.545987  -3.774284      65.52023 
1 1 1 7   -13 4  o 187.3390 37.97091 8.819325       4.789783  7.918557       3.876363  8.913589       72.74194 
1 1 1 7   -13 5  o 368.2572 24.85448 17.40527       5.809491  41.95210       5.492700  -162.7773      58.89320 
1 1 1 7   -13 6  o 162.8160 44.67999 6.659173       5.209944  6.072270       4.236498  8.977005       78.22309 
1 1 1 7   -13 7  o 72.72231 34.85211 -10.93432      5.223902  -0.3388695     4.019742  -24.42022      61.18456 
1 1 1 7   -13 8  o 382.3091 22.87531 33.50399       5.642272  32.01138       5.186771  7.730927       46.56467 
1 1 1 7   -13 9  o 467.6903 21.87855 52.97046       6.625212  45.53802       6.070626  35.00882       44.34492 
1 1 1 7   -13 10 o 286.1157 28.00769 18.82637       4.980201  18.65544       4.837509  0.6507263      58.36341 
1 1 1 7   -13 11 o 351.0053 25.88013 30.79373       5.355381  24.92286       5.870897  42.62207       54.85286 
1 1 1 7   -13 12 o 128.5886 50.04091 5.807928       7.460911  2.378605       4.833634  34.51369       84.46434 
1 1 1 7   -13 13 o 90.91116 40.34636 -2.926297      4.362503  2.880898       4.736009  -34.97176      67.63393 
1 1 1 7   -13 14 o 144.6787 46.98814 0.7042172      4.716000  10.82125       4.944060  -82.40756      74.16183 
1 1 1 7   -13 15 o 151.2831 46.25064 8.902136       4.953490  4.048691       4.556319  41.30901       77.13323 
1 1 1 7   -13 16 o 155.4766 46.76947 6.698368       4.893580  7.029860       4.859840  -2.824814      78.76993 
1 1 1 7   -13 17 o 106.9355 44.26860 4.777571       4.885498  -0.2553712     4.708225  30.39599       71.39423 
1 1 1 7   -13 18 o 145.0985 52.05788 6.248928       5.695084  6.750575       6.254750  -3.026459      83.35575 
1 1 1 7   -12 0  o 119.3607 40.60689 3.534199       3.433460  2.423756       3.781431  7.560814       67.44634 
1 1 1 7   -12 1  o 262.5169 25.07953 13.95535       3.932559  17.11907       4.144764  -27.68262      51.65341 
1 1 1 7   -12 2  o 241.2674 26.10552 12.12380       3.835177  14.09005       3.854644  -19.20992      54.05718 
1 1 1 7   -12 3  o 456.9066 18.45420 47.40383       5.238383  45.04359       5.201190  11.81116       37.17282 
1 1 1 7   -12 4  f 259.0151 26.90516 14.22470       4.606065  15.79409       3.981809  -16.61545      56.85779 
1 1 1 7   -12 5  o 93.10254 38.83118 1.451869       4.279970  -0.7148125E-02 3.346605  22.11305       65.63055 
1 1 1 7   -12 6  o 109.3075 41.61417 -1.416775      4.437734  4.217250       3.529586  -34.08698      67.02827 
1 1 1 7   -12 7  o 321.3291 25.67093 23.64438       5.742078  22.84307       4.595952  2.327942       53.83246 
1 1 1 7   -12 8  o 109.4757 42.79052 1.856636       4.804624  1.738274       3.792386  11.45882       71.34243 
1 1 1 7   -12 9  o 323.2766 26.86366 25.01573       5.680293  22.34354       5.051768  17.24570       55.22752 
1 1 1 7   -12 10 o 355.2450 23.58258 31.22531       5.267176  25.60309       5.073040  36.22031       48.17780 
1 1 1 7   -12 11 o 257.3421 36.29921 14.81199       4.592544  17.74894       8.006705  -8.188995      82.24583 
1 1 1 7   -12 12 o 108.2232 43.31517 1.855107       4.343922  1.653818       4.476772  0.1818085      71.17046 
1 1 1 7   -12 13 o 135.1640 49.92909 2.182621       7.170677  4.974432       4.670820  -3.685959      82.33273 
1 1 1 7   -12 14 f 92.86165 40.65858 2.561670       4.411531  -2.504557      4.518610  27.26727       67.26268 
1 1 1 7   -12 15 o 175.6304 44.90162 9.877754       4.901294  6.357322       4.919176  32.67775       79.05403 
1 1 1 7   -12 16 o 171.5490 46.17342 9.919974       5.156021  6.343572       4.896716  31.09065       80.21603 
1 1 1 7   -12 17 f 193.0612 41.83775 9.579247       4.809625  10.40603       4.923419  -7.205215      78.98477 
1 1 1 7   -12 18 o 150.0059 50.38141 6.323818       5.363445  7.072626       5.720410  -5.088974      82.17796 
1 1 1 7   -12 19 o 159.3316 51.64344 10.50895       5.644551  4.820020       6.037884  39.84914       83.34415 
1 1 1 7   -11 0  o 479.2673 17.52083 54.39080       5.154096  47.02998       5.247497  35.43985       35.40067 
1 1 1 7   -11 1  o 485.3145 17.53537 54.31557       5.246658  49.74529       5.294377  21.68869       35.32069 
1 1 1 7   -11 2  o 245.3470 25.28419 12.01689       3.722177  15.11090       3.868146  -29.27959      52.26586 
1 1 1 7   -11 3  o 633.3239 17.00628 90.20535       6.687719  86.86179       6.662561  12.06189       34.15768 
1 1 1 7   -11 4  o 290.2834 22.28597 19.17275       3.998480  18.36821       3.966346  6.379181       45.36230 
1 1 1 7   -11 5  o 415.3535 19.40494 38.54675       5.139374  37.91285       4.845417  3.018585       39.17554 
1 1 1 7   -11 6  o 336.2372 21.89336 28.10669       5.133162  23.27281       4.116448  30.71027       44.77348 
1 1 1 7   -11 7  o 223.1940 29.82985 5.637918       4.537690  15.06057       3.656779  -97.78610      63.64161 
1 1 1 7   -11 8  o 228.6872 29.78527 12.30354       4.768257  11.67369       3.687164  2.502655       63.00237 
1 1 1 7   -11 9  o 137.0727 44.02702 11.37688       4.906501  -0.2439537E-01 3.793659  111.6608       69.14224 
1 1 1 7   -11 10 o 256.7243 34.96407 10.12776       6.579460  17.70980       4.719645  -72.17212      76.51608 
1 1 1 7   -11 11 o 353.8524 32.16973 28.53708       4.938584  0.000000       0.000000  ?              ?        
1 1 1 7   -11 12 o 282.7298 27.83466 15.82611       4.687330  20.85276       4.961324  -40.89542      58.04625 
1 1 1 7   -11 13 o 272.3327 29.32555 14.67956       4.643347  20.05588       5.147722  -44.02563      61.45944 
1 1 1 7   -11 14 o 127.1556 44.91031 4.990222       4.356988  2.350852       4.477186  20.68251       73.54735 
1 1 1 7   -11 15 o 158.5774 44.30276 7.981996       4.502326  5.077539       4.548514  27.14148       76.00120 
1 1 1 7   -11 16 o 133.5895 46.69348 7.194385       4.671780  1.521539       4.863782  42.66685       75.21136 
1 1 1 7   -11 17 o 124.6717 44.93512 2.980007       4.436783  4.801754       4.449182  -14.01769      73.09742 
1 1 1 7   -11 18 o 107.1720 43.52196 3.354480       4.578109  1.174716       4.468621  14.42037       70.35738 
1 1 1 7   -11 19 f 105.9553 45.47287 0.6066937      5.128483  2.956253       5.628511  -14.44901      73.53046 
1 1 1 7   -11 20 o 132.4338 49.83030 6.378365       5.326467  3.501087       5.834261  16.48891       79.14952 
1 1 1 7   -10 0  o 106.1439 38.13967 3.890406       3.099685  0.3262028      3.306118  32.01896       62.02360 
1 1 1 7   -10 1  o 385.9895 18.03762 31.98105       4.169974  34.20543       4.458344  -12.70401      36.39775 
1 1 1 7   -10 2  o 229.2644 26.04728 11.83925       3.570339  11.87113       3.711332  0.1764984      53.89132 
1 1 1 7   -10 3  o 632.7943 16.60363 88.76228       6.508988  88.02761       6.514776  2.666687       33.34700 
1 1 1 7   -10 4  o 334.2914 19.13889 25.35164       3.954495  24.17307       3.949921  8.129456       38.67135 
1 1 1 7   -10 5  o 320.4144 19.74489 23.80548       3.844952  21.64665       3.968844  15.81967       40.07463 
1 1 1 7   -10 6  o 486.1031 17.18712 49.70945       5.322497  54.37621       5.038102  -22.41483      34.72919 
1 1 1 7   -10 7  o 436.5222 18.39757 44.16076       5.513686  40.76629       4.561721  16.36230       37.47589 
1 1 1 7   -10 8  o 333.0555 21.72229 21.37376       4.920048  27.00293       4.114046  -41.67020      46.37547 
1 1 1 7   -10 9  f 257.4914 27.56972 13.54215       5.506156  15.61245       3.690194  -25.60106      63.52356 
1 1 1 7   -10 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   -10 11 o 327.5757 28.31521 28.03069       5.311573  18.85862       6.181388  70.15930       62.73734 
1 1 1 7   -10 12 o 239.7796 29.87755 11.53603       4.358874  14.67823       4.336911  -31.05992      62.21482 
1 1 1 7   -10 13 o 239.7075 31.39733 10.80550       4.369733  16.14556       4.769513  -50.29387      65.05426 
1 1 1 7   -10 14 o 116.3003 48.79842 1.285313       4.201205  0.000000       0.000000  ?              ?        
1 1 1 7   -10 15 o 160.4180 43.05288 5.732940       4.156952  7.337241       4.627287  -16.18713      75.43716 
1 1 1 7   -10 16 o 357.6938 24.51306 31.32882       5.478776  27.63233       5.336428  23.46936       50.75946 
1 1 1 7   -10 17 o 112.3615 43.82271 1.090676       4.331692  4.057835       4.487545  -22.09887      71.30656 
1 1 1 7   -10 18 o 124.0747 44.70780 3.786819       4.340152  3.919183       4.457752  -1.517227      72.83862 
1 1 1 7   -10 19 o 165.6397 49.81713 7.831724       5.256239  8.118887       5.859305  -0.9280396     83.89546 
1 1 1 7   -10 20 o 123.5453 48.53623 4.757246       5.224706  3.044776       5.683274  8.475189       77.33612 
1 1 1 7   -10 21 o 132.7008 49.33831 6.444593       5.185968  3.573603       5.690310  17.08888       78.45006 
1 1 1 7   -9  0  o 131.5307 44.11837 2.418559       4.014257  5.860924       4.516424  -33.75734      73.22346 
1 1 1 7   -9  1  o 424.5575 23.12976 36.61858       5.787580  45.05537       6.394723  -43.99634      46.99966 
1 1 1 7   -9  2  o 371.8332 25.32423 33.06644       5.691115  28.98787       5.928820  26.49783       52.09043 
1 1 1 7   -9  3  o 479.4311 19.89168 47.88847       6.624639  53.18718       5.375193  -28.45441      41.65335 
1 1 1 7   -9  4  o 531.1305 16.83073 56.39582       5.365089  69.18151       5.729321  -54.53647      33.86871 
1 1 1 7   -9  5  o 472.4185 16.78385 49.76456       4.839286  48.80469       4.985392  4.866119       33.77373 
1 1 1 7   -9  6  o 460.8580 16.09572 48.91282       4.640743  44.88563       4.549372  19.91788       32.34995 
1 1 1 7   -9  7  o 474.9912 16.53180 54.86512       5.254420  45.96339       4.548773  41.90036       33.26746 
1 1 1 7   -9  8  o 159.3271 36.27843 8.219122       4.236878  4.722255       3.055674  42.31381       67.16301 
1 1 1 7   -9  9  o 720.4951 17.42472 105.6907       7.912517  122.9008       7.668743  -55.14624      35.24118 
1 1 1 7   -9  10 o 459.5296 23.90339 0.000000       0.000000  47.05784       4.801520  ?              ?        
1 1 1 7   -9  11 o 510.1704 18.41196 58.94352       6.219116  56.54380       5.484430  9.618256       37.26878 
1 1 1 7   -9  12 o 1221.166 21.84383 324.2164       16.36366  337.0916       16.73667  -23.58154      43.97097 
1 1 1 7   -9  13 o 450.8901 27.69589 45.69860       5.451130  0.000000       0.000000  ?              ?        
1 1 1 7   -9  14 o 348.1635 23.20395 27.88036       4.798196  26.41108       5.190552  11.17691       47.61292 
1 1 1 7   -9  15 o 273.9004 28.49815 16.86473       4.743463  17.58966       4.799617  -6.008728      59.54370 
1 1 1 7   -9  16 o 170.7651 40.93078 10.35897       4.194479  3.869025       4.369431  65.34508       71.02224 
1 1 1 7   -9  17 o 163.8396 42.31218 4.754480       4.207598  9.331520       4.464128  -45.06960      73.77197 
1 1 1 7   -9  18 o 90.82697 39.45819 1.244213       3.980033  -0.8932701     4.308721  9.269539       65.13379 
1 1 1 7   -9  19 o 100.2533 43.23871 2.697459       4.884609  -0.8704663     4.901595  18.99003       70.61349 
1 1 1 7   -9  20 o 144.8637 48.71708 3.567723       5.061613  8.508537       5.293502  -36.87229      79.26133 
1 1 1 7   -9  21 o 111.5232 46.20506 4.351473       5.095943  0.6314197      5.372730  18.78944       73.83038 
1 1 1 7   -9  22 o 137.0552 56.14056 0.000000       0.000000  5.751661       5.376948  ?              ?        
1 1 1 7   -8  0  o 216.0699 25.62033 12.29174       3.442274  9.152399       3.296840  33.67787       53.41759 
1 1 1 7   -8  1  o 381.0139 18.15466 34.83185       4.300075  29.89915       4.257294  29.78690       36.81286 
1 1 1 7   -8  2  o 219.1463 24.73951 11.67216       3.243412  10.10250       3.368947  17.65063       51.69639 
1 1 1 7   -8  3  o 219.9709 28.54922 10.87621       3.247987  11.61705       4.798197  -0.5452118     62.62371 
1 1 1 7   -8  4  o 412.7529 23.39330 33.80571       5.565810  44.15290       6.464786  -54.88336      47.56292 
1 1 1 7   -8  5  o 153.0776 42.87606 6.696332       4.152868  4.387502       4.317301  22.25391       73.64983 
1 1 1 7   -8  6  o 196.9561 50.33318 9.350878       4.364081  0.000000       0.000000  ?              ?        
1 1 1 7   -8  7  o 326.1988 25.53040 27.41393       5.309065  20.58754       4.958647  47.87799       52.29829 
1 1 1 7   -8  8  o 516.9436 23.53341 58.66434       8.180761  59.72809       7.007971  -6.634247      48.16267 
1 1 1 7   -8  9  f 183.8850 47.58706 -2.065231      8.473772  10.63467       4.346653  -65.61676      80.92654 
1 1 1 7   -8  10 o 441.9430 28.56029 16.73204       8.515970  63.06237       7.219245  -271.4344      78.68842 
1 1 1 7   -8  11 o 220.6181 39.18851 13.13870       5.763964  10.13851       4.723309  27.10725       77.44360 
1 1 1 7   -8  12 o 815.6398 24.93386 0.000000       0.000000  148.0756       8.910025  ?              ?        
1 1 1 7   -8  13 o 646.0566 17.35917 92.03803       6.933688  92.37692       6.967632  -1.155884      34.87875 
1 1 1 7   -8  14 o 98.46655 40.58767 0.1939343      3.919527  1.552103       4.100328  -11.81367      67.41481 
1 1 1 7   -8  15 o 401.3945 21.97266 34.36256       5.253793  38.00822       5.670375  -19.75897      44.60900 
1 1 1 7   -8  16 o 140.2525 43.60267 3.837186       4.110413  5.737277       4.282603  -18.56952      73.30816 
1 1 1 7   -8  17 o 259.1584 29.54653 16.81336       4.769723  14.59188       4.567245  19.14069       62.27266 
1 1 1 7   -8  18 f 86.15538 38.28855 -0.1568424     3.993882  -0.6852209     4.216923  0.5250092      63.88767 
1 1 1 7   -8  19 o 150.1057 47.20995 2.514761       4.887299  9.597608       4.916305  -58.14503      76.71040 
1 1 1 7   -8  20 o 91.88603 40.90013 -2.959826      4.549736  3.282205       4.862351  -34.49350      68.01015 
1 1 1 7   -8  21 o 111.9431 45.07307 -0.9704759E-02 4.735042  5.460210       4.876401  -34.70492      72.53454 
1 1 1 7   -8  22 o 186.7777 43.74870 13.49142       4.815179  5.434894       5.161490  74.55099       76.13662 
1 1 1 7   -7  0  o 240.2820 29.02227 14.59443       4.281987  11.91840       4.195910  26.01459       60.53571 
1 1 1 7   -7  1  o 367.9464 22.37613 29.07680       4.989479  31.71067       5.182179  -15.99963      45.51385 
1 1 1 7   -7  2  f 109.0210 42.34941 -1.421382      4.066275  5.448713       4.141075  -53.86901      68.35429 
1 1 1 7   -7  3  o 260.9245 29.56915 14.53053       4.625923  16.73758       4.781328  -19.36995      61.71953 
1 1 1 7   -7  4  o 573.9592 21.11831 78.36427       7.593478  69.02490       7.421701  37.05231       42.75558 
1 1 1 7   -7  5  o 462.3373 21.77699 47.08402       6.100908  48.60463       6.363453  -6.818024      44.15308 
1 1 1 7   -7  6  o 408.2938 23.36053 35.79674       5.675922  39.17421       6.134570  -17.76178      47.49919 
1 1 1 7   -7  7  o 594.5635 21.75966 80.61207       7.946185  76.52389       8.079196  16.11182       43.94844 
1 1 1 7   -7  8  o 195.5083 34.56147 8.625628       4.221068  8.987257       3.877311  -4.474213      68.01141 
1 1 1 7   -7  9  o 495.2923 21.40689 58.48787       6.762501  50.61151       6.377461  35.95355       43.13743 
1 1 1 7   -7  10 o 431.2043 23.21187 36.66868       5.947344  46.67919       6.455773  -52.54980      46.94449 
1 1 1 7   -7  11 o 186.3895 39.60059 10.71236       4.743782  6.110893       4.183399  48.33188       73.18250 
1 1 1 7   -7  12 f 169.0571 33.86418 6.820678       3.635203  6.502219       3.251640  3.835587       64.51308 
1 1 1 7   -7  13 o 479.2574 25.61623 45.31924       7.473459  57.54107       7.707696  -58.49756      52.14544 
1 1 1 7   -7  14 o 261.2518 43.00353 14.22527       6.281144  18.22264       7.283319  -31.18742      86.34865 
1 1 1 7   -7  15 o 420.9615 31.63096 44.55884       8.001776  35.34948       8.412469  53.26822       66.26513 
1 1 1 7   -7  16 o 470.0532 32.38640 48.74929       9.020004  52.68816       9.799646  -16.19620      66.86196 
1 1 1 7   -7  17 o 366.9176 29.02303 35.68102       9.414629  29.38234       5.322031  15.27383       69.41817 
1 1 1 7   -7  18 o 79.48725 37.56746 -3.174879      7.848695  -3.199816      3.839532  39.84874       70.64236 
1 1 1 7   -7  19 f 223.0589 38.03901 12.27282       4.852115  12.37342       5.331127  2.617706       77.20625 
1 1 1 7   -7  20 o 191.2029 41.78407 8.359929       4.742851  10.76890       4.894989  -22.86278      78.18600 
1 1 1 7   -7  21 o 220.2262 38.31273 13.97263       5.172678  11.21430       4.924405  24.67300       77.78996 
1 1 1 7   -7  22 o 86.13188 38.82663 4.317514       4.372605  -5.023873      4.390724  47.21568       64.60530 
1 1 1 7   -7  23 o 111.2193 43.91063 1.202862       4.347094  4.985036       4.607587  -25.81505      70.50552 
1 1 1 7   -6  0  o 140.8782 40.59349 4.678100       2.644990  0.000000       0.000000  ?              ?        
1 1 1 7   -6  1  o 392.3820 15.01479 34.55342       3.636916  33.50611       3.658977  6.166199       30.21584 
1 1 1 7   -6  2  o 314.7022 16.12654 19.60929       3.054658  24.54237       3.227830  -35.70981      32.60198 
1 1 1 7   -6  3  o 445.5670 14.77768 42.42830       4.093484  45.30834       4.064307  -14.88126      29.73963 
1 1 1 7   -6  4  o 439.0463 15.15373 43.45840       4.120086  41.83929       4.121764  8.469452       30.49727 
1 1 1 7   -6  5  o 345.9965 15.75979 25.83757       3.291238  27.31786       3.462523  -9.457245      31.79233 
1 1 1 7   -6  6  o 118.6892 34.71504 2.454496       2.625309  4.272682       2.819477  -23.41402      59.08676 
1 1 1 7   -6  7  o 469.7456 15.14884 49.64289       4.306816  47.94532       4.517730  8.711456       30.54737 
1 1 1 7   -6  8  f 272.8341 18.83604 16.67715       3.084713  16.44225       3.259145  2.460052       38.32090 
1 1 1 7   -6  9  o 603.1329 14.55626 80.90459       5.515477  79.40076       5.379122  5.554443       29.24155 
1 1 1 7   -6  10 o 527.7719 14.99550 57.41325       5.047719  64.90806       4.772574  -32.85312      30.30738 
1 1 1 7   -6  11 o 242.8939 22.58704 13.66677       3.871702  12.84954       3.015151  5.607483       47.53155 
1 1 1 7   -6  12 o 164.3019 36.18791 8.575162       4.477657  5.213295       3.079585  39.85902       68.23731 
1 1 1 7   -6  13 f 416.7607 22.44750 41.75238       6.063184  36.03399       5.536332  30.51843       45.41408 
1 1 1 7   -6  14 o 236.9938 34.07671 13.90418       5.189857  12.04397       4.595798  16.25024       69.81779 
1 1 1 7   -6  15 o 403.4115 27.26778 39.67431       7.343208  34.05350       6.334960  29.64172       55.67476 
1 1 1 7   -6  16 o 350.5313 26.01167 27.25814       5.657976  28.01945       5.574390  -5.365173      53.23138 
1 1 1 7   -6  17 o 134.8622 44.39029 1.697397       3.977957  7.771033       4.716602  -58.54788      73.19318 
1 1 1 7   -6  18 o 145.5707 49.64093 6.290310       4.347312  1.308719       7.815823  14.15485       82.85159 
1 1 1 7   -6  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   -6  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   -6  21 f 161.7997 74.36465 0.000000       0.000000  6.901658       12.08201  ?              ?        
1 1 1 7   -6  22 o 92.60632 42.35208 5.356283       10.95128  -1.693288      4.117123  58.55583       81.43762 
1 1 1 7   -6  23 o 95.72279 40.23070 4.371624       4.215453  -1.095249      3.900158  36.61272       65.50054 
1 1 1 7   -6  24 o 88.71585 38.76796 -1.876438      4.141106  2.928507       3.948391  -25.26376      63.04483 
1 1 1 7   -5  0  o 355.5563 14.69335 30.37910       3.280547  25.57300       3.188931  30.88641       29.60647 
1 1 1 7   -5  1  o 665.8732 14.07262 98.73689       5.799967  96.56847       5.825644  7.478455       28.25391 
1 1 1 7   -5  2  o 575.1995 13.77263 75.75023       4.993370  70.14660       4.838657  22.11493       27.65930 
1 1 1 7   -5  3  o 402.4458 14.13205 36.67847       3.580549  34.83622       3.467237  10.33798       28.39374 
1 1 1 7   -5  4  o 215.8736 19.31445 10.30228       2.534890  10.49600       2.584052  -1.949600      39.51536 
1 1 1 7   -5  5  f 197.9180 22.90622 9.983580       2.827864  7.780425       2.697550  25.74469       47.41313 
1 1 1 7   -5  6  f 143.5039 30.15088 4.099156       2.503130  5.652580       2.705733  -21.43149      56.34142 
1 1 1 7   -5  7  o 208.2407 21.86627 9.967885       2.734864  9.566323       2.832741  4.990402       45.26915 
1 1 1 7   -5  8  o 273.1727 18.23315 15.80596       2.943722  17.61388       3.218668  -14.51904      37.04000 
1 1 1 7   -5  9  o 475.2701 14.15257 48.88695       4.085199  50.94022       4.255647  -9.634491      28.43971 
1 1 1 7   -5  10 o 629.3805 14.22977 82.84077       5.447290  92.01080       5.670543  -33.07495      28.57401 
1 1 1 7   -5  11 o 474.0641 14.94565 49.45004       4.806526  49.57115       4.065216  -1.353058      30.44236 
1 1 1 7   -5  12 o 287.1422 31.63742 18.59317       3.918771  0.000000       0.000000  ?              ?        
1 1 1 7   -5  13 o 212.7627 23.04152 12.21606       3.277761  8.662887       2.770845  37.35724       47.41339 
1 1 1 7   -5  14 o 72.58866 32.20354 1.477085       3.052569  -2.371323      2.748201  33.10654       55.17123 
1 1 1 7   -5  15 o 266.6921 34.39181 16.22981       3.929588  0.000000       0.000000  ?              ?        
1 1 1 7   -5  16 o 577.9612 17.48498 65.52761       6.113863  83.08509       6.420437  -69.12378      35.25356 
1 1 1 7   -5  17 o 337.3666 21.73248 25.97854       4.606396  24.95867       4.445647  6.539307       44.18742 
1 1 1 7   -5  18 o 87.91832 38.15020 -3.446187      4.256261  2.242412       3.550552  -26.50036      63.06279 
1 1 1 7   -5  19 o 121.5024 43.90481 4.669150       4.324696  1.939780       4.169304  23.25095       71.92851 
1 1 1 7   -5  20 o 95.48502 40.39404 2.846813       4.318021  -0.8695964     3.955286  27.27139       66.76303 
1 1 1 7   -5  21 o 112.4509 47.29670 0.000000       0.000000  1.826997       3.961419  ?              ?        
1 1 1 7   -5  22 o 73.13606 35.86342 0.000000       0.000000  -6.032958      3.917791  ?              ?        
1 1 1 7   -5  23 o 154.9193 49.52718 6.252963       4.168615  10.91493       9.259290  -21.58374      88.23071 
1 1 1 7   -5  24 o 101.6842 49.59474 -1.512794      11.63991  -7.968987      9.162000  20.77692       82.23264 
1 1 1 7   -4  0  o 446.3102 13.38535 42.93317       3.639256  44.86654       3.767304  -9.783295      26.85967 
1 1 1 7   -4  1  f 413.0554 13.67441 35.65025       3.412904  39.71585       3.591787  -22.33304      27.44743 
1 1 1 7   -4  2  o 522.3986 13.10379 61.41767       4.258390  58.72851       4.227761  11.74469       26.27859 
1 1 1 7   -4  3  o 663.1652 13.61312 98.28645       5.626511  95.27312       5.574056  10.34308       27.31188 
1 1 1 7   -4  4  o 194.7792 21.12860 6.919734       2.500029  10.08408       2.524214  -38.25917      44.15079 
1 1 1 7   -4  5  o 225.9923 17.91245 10.27528       2.460604  12.47489       2.521679  -22.51283      36.57099 
1 1 1 7   -4  6  o 285.1607 16.15711 14.40008       2.818749  21.76526       2.874789  -59.70830      33.30571 
1 1 1 7   -4  7  o 400.8520 13.94098 36.18519       3.470346  34.81093       3.452210  7.833435       28.03139 
1 1 1 7   -4  8  o 138.3453 31.55359 3.533725       2.483102  5.787343       2.850097  -30.78764      57.46233 
1 1 1 7   -4  9  o 279.1327 16.75525 17.02296       2.818237  17.64140       2.962882  -4.739136      33.93648 
1 1 1 7   -4  10 o 788.1431 14.98505 130.0649       7.006942  145.5873       7.693521  -43.99182      30.12620 
1 1 1 7   -4  11 o 229.1465 20.24667 13.21060       3.216696  10.72315       2.583140  23.43367       41.64109 
1 1 1 7   -4  12 o 426.0573 24.10825 40.31271       4.487034  0.000000       0.000000  ?              ?        
1 1 1 7   -4  13 o 239.0289 22.05318 10.15376       4.091077  13.91214       2.756715  -41.58560      52.73949 
1 1 1 7   -4  14 o 204.8630 23.24919 11.75677       3.122346  7.644938       2.723120  45.55937       47.96107 
1 1 1 7   -4  15 o 119.8853 36.01040 5.768126       2.996164  1.120661       2.799031  55.38219       58.97003 
1 1 1 7   -4  16 o 269.4680 22.23165 15.16180       3.720604  17.19418       3.646777  -17.84528      45.57959 
1 1 1 7   -4  17 o 395.3160 18.52024 36.47295       4.758004  33.17624       4.330095  18.29788       37.41348 
1 1 1 7   -4  18 o 260.8847 25.60642 22.49758       4.491165  10.40471       3.781096  104.8206       54.32446 
1 1 1 7   -4  19 o 115.0345 42.39281 1.208955       4.062034  4.110917       3.914224  -22.69700      69.24027 
1 1 1 7   -4  20 o 299.2403 26.50371 19.35849       5.056046  21.83375       4.701153  -22.34906      56.07872 
1 1 1 7   -4  21 o 148.2093 42.24746 3.305778       4.238494  7.699807       3.924998  -41.93409      70.90507 
1 1 1 7   -4  22 o 139.8483 42.72246 8.494147       4.381609  2.735272       3.779782  54.36776       71.04713 
1 1 1 7   -4  23 o 91.36818 38.90220 0.1273929      4.632556  1.368935       3.388494  3.057281       63.93914 
1 1 1 7   -4  24 o 105.3424 46.01140 0.000000       0.000000  1.545643       4.021025  ?              ?        
1 1 1 7   -4  25 o 149.1136 52.45094 0.000000       0.000000  7.265724       4.255803  ?              ?        
1 1 1 7   -3  0  o 134.7961 28.11710 2.743934       2.274822  5.616529       2.274910  -41.64120      51.46376 
1 1 1 7   -3  1  o 756.5221 14.25731 123.2097       6.564598  128.7919       6.824492  -16.66345      28.59694 
1 1 1 7   -3  2  o 774.7482 14.27367 132.5921       6.865729  131.4590       6.853918  3.334106       28.62347 
1 1 1 7   -3  3  o 192.0583 19.89606 7.693616       2.320200  8.764545       2.352289  -13.02304      40.90067 
1 1 1 7   -3  4  o 668.0441 13.33944 97.91154       5.492252  98.38211       5.564220  -1.555603      26.75459 
1 1 1 7   -3  5  o 240.5438 16.49032 14.89459       2.470438  10.80117       2.421705  39.37746       33.79324 
1 1 1 7   -3  6  o 337.7093 13.75600 25.11895       2.900257  25.17364       2.851731  -0.4333801     27.65234 
1 1 1 7   -3  7  o 368.9081 12.94282 28.35880       2.934668  31.70655       2.980390  -20.73486      26.02015 
1 1 1 7   -3  8  o 64.02435 28.46663 -1.780702      2.320615  0.5956907      2.221583  -17.16771      48.22888 
1 1 1 7   -3  9  o 426.5018 13.34694 38.96950       3.468953  41.47747       3.587696  -13.26825      26.82531 
1 1 1 7   -3  10 o 435.1989 13.28319 38.10159       3.403087  46.45864       3.791923  -43.16800      26.69399 
1 1 1 7   -3  11 o 167.9008 35.40960 0.000000       0.000000  6.609921       2.525585  ?              ?        
1 1 1 7   -3  12 o 157.9482 32.79190 6.188583       2.764180  5.075847       3.622286  12.34590       62.28684 
1 1 1 7   -3  13 o 438.3745 18.93849 0.000000       0.000000  42.46857       3.633006  ?              ?        
1 1 1 7   -3  14 o 182.6420 23.65786 6.771521       2.795963  8.083507       2.469263  -17.76131      49.33515 
1 1 1 7   -3  15 o 234.5906 19.47258 14.62050       2.960067  10.31483       2.677463  41.87999       39.88138 
1 1 1 7   -3  16 o 475.6253 22.18494 50.26270       4.615581  0.000000       0.000000  ?              ?        
1 1 1 7   -3  17 o 376.4567 27.69703 31.79040       4.541490  0.000000       0.000000  ?              ?        
1 1 1 7   -3  18 o 267.4640 37.04371 16.63203       4.229382  0.000000       0.000000  ?              ?        
1 1 1 7   -3  19 f 248.8937 28.46879 14.09781       4.939117  14.28632       3.882135  -7.527740      61.40195 
1 1 1 7   -3  20 o 110.2848 42.75177 3.133178       5.191658  1.772963       3.588736  23.05726       71.89539 
1 1 1 7   -3  21 o 135.6498 42.25813 0.9528977      4.356905  7.266826       3.618993  -53.83101      67.67226 
1 1 1 7   -3  22 o 145.4564 40.45512 7.603945       4.020160  3.793743       3.582562  39.22992       69.46812 
1 1 1 7   -3  23 o 78.08949 35.20881 0.8346747      4.028083  -1.501914      3.292752  21.14147       59.62183 
1 1 1 7   -3  24 o 109.2020 40.12011 5.295846       3.951964  1.300251       3.274171  36.89355       65.71665 
1 1 1 7   -3  25 o 136.9766 40.54876 7.763311       3.959871  3.328496       3.466116  42.49674       68.20518 
1 1 1 7   -2  0  o 590.7737 12.81623 74.59255       4.616538  78.99946       4.781302  -16.92896      25.70507 
1 1 1 7   -2  1  o 131.3039 25.96704 3.988675       2.023459  3.900856       2.057098  1.326019       49.36693 
1 1 1 7   -2  2  o 118.8337 28.19918 5.188696       2.120120  1.561626       1.981451  54.60568       48.53003 
1 1 1 7   -2  3  o 264.3224 14.58515 13.11483       2.322382  17.95930       2.446846  -41.97789      29.57166 
1 1 1 7   -2  4  o 958.3997 16.00477 200.0004       9.431879  204.3363       9.600516  -10.21564      32.06459 
1 1 1 7   -2  5  o 392.7017 12.56979 34.00784       3.053218  33.85595       3.062945  0.8933105      25.21479 
1 1 1 7   -2  6  o 228.5943 16.07852 11.44732       2.264780  11.68076       2.266062  -2.362274      32.55008 
1 1 1 7   -2  7  o 339.9311 12.95995 24.79836       2.704767  26.14629       2.751452  -9.032471      26.03208 
1 1 1 7   -2  8  o 369.5522 12.64546 28.59340       2.860107  31.69113       2.930344  -19.10764      25.40520 
1 1 1 7   -2  9  o 385.8968 12.83291 32.01360       3.076188  33.70434       3.059212  -10.07135      25.79745 
1 1 1 7   -2  10 o 364.7372 13.00991 30.97325       2.968425  27.86654       2.910101  19.43155       26.17532 
1 1 1 7   -2  11 o 141.3327 37.83991 0.000000       0.000000  4.749179       2.392358  ?              ?        
1 1 1 7   -2  12 o 314.6743 14.05286 21.81976       2.733365  21.90238       2.739012  -0.5943604     28.27635 
1 1 1 7   -2  13 o 445.2738 13.33927 44.72683       3.963702  42.84713       3.450150  9.145721       26.95180 
1 1 1 7   -2  14 o 111.9417 34.27980 5.386313       3.275781  1.622238       2.226104  53.82062       58.91558 
1 1 1 7   -2  15 o 579.9073 13.25273 72.44308       4.778418  75.56001       4.756427  -12.31702      26.60967 
1 1 1 7   -2  16 o 85.38876 33.61236 1.815924       2.646897  0.1823759      2.580799  16.72854       55.55465 
1 1 1 7   -2  17 o 899.2991 23.47007 0.000000       0.000000  179.6141       9.250143  ?              ?        
1 1 1 7   -2  18 f 541.6863 22.77945 65.35654       5.400350  0.000000       0.000000  ?              ?        
1 1 1 7   -2  19 o 174.6793 34.66982 8.051261       3.756937  6.463821       3.504477  18.20052       66.16799 
1 1 1 7   -2  20 o 294.1601 22.76789 20.66436       4.810119  18.94219       3.664276  8.191376       48.26217 
1 1 1 7   -2  21 o 221.5011 28.14860 9.159750       4.114945  13.16554       3.516144  -47.22061      60.89475 
1 1 1 7   -2  22 o 303.2130 22.64183 22.59001       4.662372  20.07252       3.895975  14.12943       47.29403 
1 1 1 7   -2  23 o 205.0482 30.19510 9.822620       4.424614  10.42735       3.279228  -17.64394      65.00197 
1 1 1 7   -2  24 o 206.5644 29.05960 8.886559       4.056286  11.49592       3.300910  -38.15581      62.68327 
1 1 1 7   -2  25 o 115.1223 39.19026 3.376947       3.550436  3.722749       3.177514  -2.227112      64.25449 
1 1 1 7   -2  26 o 94.90945 36.87061 2.940230       3.436585  1.457761       2.862292  15.58463       60.05636 
1 1 1 7   -1  0  o 780.0165 14.18587 131.2069       6.794006  136.4747       6.936166  -15.33435      28.44215 
1 1 1 7   -1  1  o 327.7938 12.66711 22.58029       2.510730  24.82112       2.635503  -15.53571      25.42820 
1 1 1 7   -1  2  o 803.3753 14.14023 141.2292       7.017155  142.5502       7.076802  -3.721008      28.31417 
1 1 1 7   -1  3  o 1095.964 17.61543 264.9888       12.00175  263.7982       11.95008  2.446655       35.29543 
1 1 1 7   -1  4  o 515.9079 11.73356 60.12236       3.832372  56.94464       3.682271  13.97989       23.53157 
1 1 1 7   -1  5  o 456.0696 11.68938 48.91599       3.422715  42.94289       3.197397  29.73474       23.42650 
1 1 1 7   -1  6  o 280.3560 13.31430 16.90852       2.297508  17.73818       2.320428  -6.767670      26.77661 
1 1 1 7   -1  7  o 615.9777 12.33597 86.07903       4.802624  80.94614       4.629385  18.90613       24.73769 
1 1 1 7   -1  8  o 560.3401 11.94068 65.16373       4.031171  73.44724       4.281020  -33.52826      23.95390 
1 1 1 7   -1  9  o 202.0789 17.42317 9.170366       2.161998  9.013849       2.163508  1.815308       35.56478 
1 1 1 7   -1  10 o 705.7414 13.09515 103.6739       5.572151  116.8028       5.908354  -42.02142      26.29708 
1 1 1 7   -1  11 o 430.4584 12.26862 37.53617       3.230989  44.42390       3.315968  -36.50726      24.68455 
1 1 1 7   -1  12 o 199.4400 18.34266 8.749393       2.168250  9.039781       2.328054  -2.856766      37.64413 
1 1 1 7   -1  13 o 183.8598 18.85443 5.928497       2.111957  9.185341       2.128048  -41.76657      39.66333 
1 1 1 7   -1  14 o 701.7996 13.64964 108.8536       6.227069  107.9328       5.693236  2.558960       27.47984 
1 1 1 7   -1  15 o 964.6954 16.13330 206.7554       9.758553  203.4218       9.553703  7.705017       32.34470 
1 1 1 7   -1  16 o 442.6509 12.93303 44.62558       3.554303  41.72227       3.540569  14.99893       25.96609 
1 1 1 7   -1  17 o 732.0396 20.62882 118.7904       6.617240  0.000000       0.000000  ?              ?        
1 1 1 7   -1  18 o 377.8399 17.65631 33.04562       4.216828  30.28280       4.042445  16.50949       35.58855 
1 1 1 7   -1  19 o 328.3818 26.11282 24.31152       3.730313  0.000000       0.000000  ?              ?        
1 1 1 7   -1  20 o 98.17676 36.78570 1.177074       3.448200  2.166003       2.726942  -1.216652      60.82647 
1 1 1 7   -1  21 o 224.7951 24.80022 12.12865       3.563808  11.16467       3.258388  8.261932       51.89980 
1 1 1 7   -1  22 o 93.37006 36.90418 3.015390       3.791555  0.6805791      2.768003  28.96125       61.93875 
1 1 1 7   -1  23 o 133.1576 36.61667 3.546830       3.396154  5.227554       2.899233  -18.33428      63.14844 
1 1 1 7   -1  24 o 82.17991 34.39826 -1.099868      3.417689  1.898734       2.621005  -13.11940      55.99209 
1 1 1 7   -1  25 o 221.2212 23.45787 10.18408       3.447699  12.61763       2.950264  -32.86867      51.99908 
1 1 1 7   -1  26 f 92.46503 34.57911 1.253005       2.999771  2.493201       2.429851  -7.463051      56.08157 
1 1 1 7   0   0  o 301.2462 14.06611 21.27185       2.665396  18.79995       2.579258  18.73297       28.29519 
1 1 1 7   0   1  o 470.1647 11.98449 44.71134       3.373085  53.07972       3.625484  -40.43130      24.01952 
1 1 1 7   0   2  o 273.9012 13.39757 16.93905       2.248333  16.09733       2.291130  7.105927       26.97099 
1 1 1 7   0   3  o 699.3505 12.99292 107.4887       5.665865  107.4487       5.607803  0.9838867E-01  26.04354 
1 1 1 7   0   4  o 512.1370 11.39393 57.10393       3.604857  58.12048       3.634783  -4.518555      22.84467 
1 1 1 7   0   5  o 223.1641 14.67155 11.29087       1.998698  10.69058       2.041514  6.282349       29.67268 
1 1 1 7   0   6  o 276.8248 12.75507 16.03049       2.184522  17.72286       2.184308  -14.03400      25.67248 
1 1 1 7   0   7  o 468.9608 11.25916 45.82639       3.227974  50.96602       3.324893  -24.97495      22.59142 
1 1 1 7   0   8  o 316.8998 11.91955 21.56943       2.320340  22.66686       2.358042  -7.892792      23.93068 
1 1 1 7   0   9  o 440.2569 11.14999 41.85435       3.018869  43.47988       3.066937  -8.394440      22.35676 
1 1 1 7   0   10 o 370.2940 11.79894 29.11898       2.672769  31.38759       2.742104  -13.93106      23.69129 
1 1 1 7   0   11 o 176.1856 18.34612 7.479382       1.961745  6.425858       1.990042  14.24228       37.97039 
1 1 1 7   0   12 o 81.13600 29.12086 2.854305       1.846618  -0.3580041     1.881336  40.11736       46.49780 
1 1 1 7   0   13 o 396.8988 11.57644 33.68832       2.733041  35.88762       2.976804  -12.37784      23.26172 
1 1 1 7   0   14 o 82.03191 29.00078 0.3785053      2.001752  1.995326       1.714819  -16.48793      47.55917 
1 1 1 7   0   15 o 831.9067 16.30063 150.1064       10.17097  153.7004       7.332804  -13.04669      34.65719 
1 1 1 7   0   16 f 566.8854 12.20730 70.45869       4.301415  70.92265       4.284050  -1.887451      24.49241 
1 1 1 7   0   17 o 654.8508 13.34141 97.41386       5.490403  91.65039       5.351306  19.96796       26.78086 
1 1 1 7   0   18 o 690.6143 14.49787 106.3981       6.218953  103.8107       6.202924  8.554443       29.11217 
1 1 1 7   0   19 o 858.0909 15.76189 160.5892       8.261576  164.7954       8.524437  -10.82483      31.67924 
1 1 1 7   0   20 o 279.2493 18.93417 19.01195       3.273933  15.84876       3.247149  26.27512       38.67319 
1 1 1 7   0   21 o 332.2187 17.46192 23.66306       3.614705  25.63839       3.557878  -13.98288      35.47056 
1 1 1 7   0   22 o 271.6013 18.68700 19.06652       3.286712  14.66832       2.992353  36.16412       38.29576 
1 1 1 7   0   23 o 248.3335 19.81058 13.96592       3.214381  14.14748       2.868072  -4.148682      41.31593 
1 1 1 7   0   24 o 273.6724 17.17284 17.10147       2.963521  16.93559       2.841609  0.5647278      35.23937 
1 1 1 7   0   25 o 248.4251 17.51298 14.44298       2.841242  13.90096       2.546008  2.568970       36.35329 
1 1 1 7   0   26 o 134.7433 29.34393 3.700092       2.662653  5.261612       2.176327  -23.98647      54.53186 
1 1 1 7   0   27 o 100.9236 32.89663 4.351786       2.792495  1.752253       2.087193  31.73636       55.44416 
1 1 1 7   1   0  o 670.1000 13.22580 97.29321       5.450861  100.1475       5.545685  -9.672302      26.51720 
1 1 1 7   1   1  o 394.9427 12.31254 35.14628       3.022605  33.46906       3.003049  9.700165       24.69411 
1 1 1 7   1   2  o 835.1031 14.44775 158.2648       7.654881  148.7651       7.324814  25.77832       28.93161 
1 1 1 7   1   3  o 559.2856 11.84891 73.69496       4.287753  64.46613       3.954124  37.43793       23.75602 
1 1 1 7   1   4  o 1253.323 19.62284 347.4921       15.29461  344.4551       15.21771  5.482544       39.32908 
1 1 1 7   1   5  o 264.6346 12.84465 15.27928       2.114889  15.56497       2.089853  -2.505951      25.83267 
1 1 1 7   1   6  o 684.1341 12.42744 101.9579       5.238770  103.7448       5.309929  -5.925415      24.90730 
1 1 1 7   1   7  o 414.0699 10.83854 36.88717       2.750516  38.52368       2.813663  -8.989075      21.72052 
1 1 1 7   1   8  o 1094.730 17.33318 262.0040       11.70124  266.1577       11.84137  -8.548828      34.74737 
1 1 1 7   1   9  o 217.0979 14.71370 10.67445       1.980278  10.18458       1.959469  5.177719       29.76497 
1 1 1 7   1   10 o 167.0735 17.62870 6.296317       1.820313  6.182106       1.779405  1.460175       36.25217 
1 1 1 7   1   11 o 69.15796 27.01453 2.318566       1.703527  -0.8762379     1.651724  40.13697       43.51368 
1 1 1 7   1   12 o 377.4482 11.19094 28.72379       2.552288  34.40194       2.687637  -34.19275      22.48726 
1 1 1 7   1   13 o 359.6490 11.21526 29.98466       2.462821  26.93420       2.536905  19.54926       22.59504 
1 1 1 7   1   14 o 142.1162 19.90660 3.983729       1.745307  5.069833       1.670837  -17.87878      40.74897 
1 1 1 7   1   15 o 470.9225 11.16498 48.27645       3.504190  49.09525       3.063202  -4.323608      22.63151 
1 1 1 7   1   16 o 271.0608 12.72874 17.27691       2.257653  15.32761       2.029168  16.15927       25.62909 
1 1 1 7   1   17 o 706.0629 12.94377 113.2648       5.784782  106.5401       5.560250  21.52606       25.97117 
1 1 1 7   1   18 o 390.6481 13.32876 34.77726       3.355881  32.68266       3.108667  11.94699       26.79929 
1 1 1 7   1   19 o 291.2270 17.61711 19.73005       3.272133  18.00845       3.072703  13.21423       35.63525 
1 1 1 7   1   20 o 162.2065 26.65775 4.374508       2.635767  7.628990       2.545031  -44.31503      52.78650 
1 1 1 7   1   21 o 107.1601 31.92353 2.344460       2.333016  3.007888       2.231216  -8.012398      54.25264 
1 1 1 7   1   22 o 70.94474 29.81401 1.312249       2.321870  -0.5501460     2.136029  20.07368       49.70553 
1 1 1 7   1   23 o 74.61291 30.37621 0.7488179      2.243953  0.6452998      2.176692  1.930008       50.06966 
1 1 1 7   1   24 o 93.03219 30.74131 1.756371       2.129279  2.314966       2.000245  -6.084930      51.06775 
1 1 1 7   1   25 o 215.2585 17.08951 8.840729       2.331834  12.18151       2.200354  -38.32779      36.62814 
1 1 1 7   1   26 o 245.3057 16.07779 14.62222       2.746131  13.17768       2.207282  9.048508       33.65568 
1 1 1 7   1   27 o 251.5429 15.09112 15.31818       2.583606  13.84698       2.160604  9.754669       31.32640 
1 1 1 7   2   0  o 390.0588 13.06702 32.33686       3.105311  34.69979       3.211893  -13.77170      26.21592 
1 1 1 7   2   1  o 186.9120 27.71308 0.000000       0.000000  7.894016       2.203361  ?              ?        
1 1 1 7   2   2  o 1174.441 18.71172 300.1612       13.51988  307.3390       13.74706  -13.80603      37.49736 
1 1 1 7   2   3  o 1367.191 21.26030 409.2369       17.94106  414.7649       18.12190  -9.104858      42.62622 
1 1 1 7   2   4  o 1140.775 18.10743 288.8953       12.90143  284.0382       12.72764  9.612793       36.28038 
1 1 1 7   2   5  o 1191.344 18.71623 318.5406       14.03275  306.7859       13.63882  22.26709       37.50782 
1 1 1 7   2   6  o 164.2569 18.59192 7.071827       1.902506  5.047822       1.822283  28.69577       38.42685 
1 1 1 7   2   7  f 1061.661 16.90079 241.6399       10.92147  255.0773       11.35171  -28.59570      33.86574 
1 1 1 7   2   8  o 458.3374 10.74874 46.74311       3.108938  45.59625       3.005756  5.648224       21.56261 
1 1 1 7   2   9  o 244.4909 12.71041 11.90002       1.906215  14.50646       1.936291  -24.48183      25.68895 
1 1 1 7   2   10 o 471.1594 10.58373 47.50733       3.052609  50.19939       3.135678  -12.97900      21.23400 
1 1 1 7   2   11 o 100.5666 26.72119 1.402181       1.685243  3.315473       1.705263  -30.81809      45.76250 
1 1 1 7   2   12 o 225.4927 13.03053 9.257398       1.784166  13.40366       1.847317  -42.33549      26.67199 
1 1 1 7   2   13 o 317.1667 12.77310 23.92925       2.166049  18.75192       3.088324  40.28726       28.88793 
1 1 1 7   2   14 o 157.5998 17.88123 7.012282       1.728040  4.138897       1.706662  42.87555       37.65776 
1 1 1 7   2   15 o 470.7836 10.06859 47.57042       2.953437  49.80574       2.927535  -10.87067      20.19878 
1 1 1 7   2   16 o 262.0118 12.74480 15.95067       2.627063  14.77162       1.756757  9.024475       27.44132 
1 1 1 7   2   17 o 526.9949 10.94339 60.56432       3.568250  61.58591       3.586735  -4.414124      21.94979 
1 1 1 7   2   18 o 390.0697 11.60624 31.93477       2.814943  35.07335       2.795594  -18.44894      23.32515 
1 1 1 7   2   19 o 474.8890 16.98014 0.000000       0.000000  49.86879       3.531305  ?              ?        
1 1 1 7   2   20 o 107.9763 29.56855 1.297288       2.106932  3.961916       1.975946  -37.03711      49.72608 
1 1 1 7   2   21 o 280.8949 13.19456 16.89752       2.373410  17.98479       2.219626  -9.306763      26.74321 
1 1 1 7   2   22 o 257.7796 12.61906 14.69293       2.053464  14.80324       1.972444  -1.243057      25.50571 
1 1 1 7   2   23 o 181.1798 15.28775 7.201262       1.717264  7.580767       1.687461  -5.109375      31.43671 
1 1 1 7   2   24 o 195.1492 14.52047 7.789718       1.860452  9.180664       1.648980  -18.11272      30.49556 
1 1 1 7   2   25 o 68.68243 25.98423 1.043675       1.535171  0.7550664      1.500145  4.253960       42.68835 
1 1 1 7   2   26 o 183.1849 20.25511 0.000000       0.000000  7.863683       1.600364  ?              ?        
1 1 1 7   2   27 o 114.5365 23.07916 2.877639       1.640790  3.520700       1.530971  -11.94169      44.10332 
1 1 1 7   3   0  o 838.9313 14.92932 156.5388       7.815911  153.1544       7.723542  9.152466       29.93780 
1 1 1 7   3   1  o 876.7021 15.20318 169.7553       8.293582  168.3447       8.242741  3.642700       30.44958 
1 1 1 7   3   2  o 867.1121 14.95452 165.1229       8.026403  165.5306       8.061419  -1.053711      29.94785 
1 1 1 7   3   3  o 520.0079 12.00668 59.89407       3.888422  58.91475       3.857788  4.286072       24.07818 
1 1 1 7   3   4  o 1722.539 26.27554 655.7681       28.08195  655.6977       28.07028  0.8239746E-01  52.75372 
1 1 1 7   3   5  o 610.6431 12.11588 79.60010       4.521998  84.37442       4.659972  -17.77930      24.28570 
1 1 1 7   3   6  o 651.3522 12.26447 92.14209       4.945720  94.29131       4.965192  -7.526306      24.58229 
1 1 1 7   3   7  o 588.2038 11.67939 75.27829       4.248209  76.75409       4.274951  -5.715942      23.41183 
1 1 1 7   3   8  o 367.1241 11.23306 30.14358       2.595836  29.16805       2.516314  6.013367       22.52682 
1 1 1 7   3   9  o 116.8995 24.71586 3.458644       1.785143  2.855581       1.690987  10.40351       46.08670 
1 1 1 7   3   10 o 196.6678 14.61655 8.978998       1.781412  8.170709       1.759646  9.484833       29.66486 
1 1 1 7   3   11 o 114.5348 24.00412 2.720218       1.660300  3.336700       1.641474  -10.61331      44.86569 
1 1 1 7   3   12 o 96.24736 26.98796 1.253487       1.709437  2.971040       1.644451  -26.49888      45.69245 
1 1 1 7   3   13 o 386.8820 13.90563 33.10195       2.355937  0.000000       0.000000  ?              ?        
1 1 1 7   3   14 o 156.1849 16.27267 5.609561       1.492012  5.251035       1.623227  5.904236       33.69544 
1 1 1 7   3   15 o 408.9974 9.445766 36.72508       2.478359  36.77341       2.322217  -0.3919678     18.98533 
1 1 1 7   3   16 o 476.6412 9.605922 49.49422       2.946559  50.26993       2.744561  -3.861389      19.31627 
1 1 1 7   3   17 o 68.30602 25.04375 1.436005       1.443418  0.3168935      1.338896  18.25800       41.34188 
1 1 1 7   3   18 o 136.5702 17.50107 4.768784       1.504827  3.688563       1.398260  18.06281       35.89527 
1 1 1 7   3   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   3   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   3   21 o 169.4231 14.94460 0.000000       0.000000  6.402501       1.099227  ?              ?        
1 1 1 7   3   22 o 543.5221 9.383644 62.62886       3.106333  67.81260       3.224517  -21.74487      18.82639 
1 1 1 7   3   23 o 132.1040 11.65797 3.460452       0.9495119 4.327701       0.9416185 -15.46754      24.09075 
1 1 1 7   3   24 o 167.8940 9.841157 6.031377       1.003189  6.507409       1.038620  -6.398819      19.90988 
1 1 1 7   3   25 o 67.65010 20.07032 0.4808563      0.9319176 1.595973       0.8763223 -22.32360      33.24281 
1 1 1 7   3   26 o 312.1345 7.986211 21.68420       1.592353  21.49499       1.501724  1.016571       16.09274 
1 1 1 7   3   27 o 69.91161 23.80008 1.111868       1.204389  1.161845       1.267975  -1.504997      39.42337 
1 1 1 7   3   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   0  o 220.8617 19.00811 10.41027       2.584892  11.25602       2.572947  -8.970779      38.79245 
1 1 1 7   4   1  o 495.7326 14.84883 55.60876       5.683458  53.38815       3.916891  8.673157       31.70196 
1 1 1 7   4   2  o 203.4481 18.31187 8.403549       2.259045  10.01095       2.314587  -18.33638      37.46434 
1 1 1 7   4   3  o 511.6600 12.19100 58.25769       3.945608  56.82973       3.797330  6.286621       24.46078 
1 1 1 7   4   4  o 673.0455 12.88222 100.5662       5.445532  98.56126       5.313647  6.729004       25.82537 
1 1 1 7   4   5  o 429.1025 11.68606 41.40125       3.171338  39.62328       3.047772  9.387878       23.42557 
1 1 1 7   4   6  o 420.4189 11.63651 39.75079       3.057503  37.99473       3.006772  9.513672       23.32458 
1 1 1 7   4   7  o 322.7521 12.06166 21.92331       2.407012  23.92486       2.414231  -14.19855      24.22896 
1 1 1 7   4   8  o 230.7705 14.16339 12.88271       2.051560  10.70385       1.985554  21.66187       28.64067 
1 1 1 7   4   9  o 98.08628 27.61854 1.012746       1.742251  3.404638       1.760705  -36.98699      46.14222 
1 1 1 7   4   10 o 83.09559 28.50794 1.262493       1.753802  1.575294       1.791917  -4.825500      47.41729 
1 1 1 7   4   11 o 208.6968 14.18541 9.796459       1.820538  9.505880       1.830529  3.249084       28.72833 
1 1 1 7   4   12 o 172.4821 16.66021 7.366062       1.889830  6.101037       1.654348  16.21672       34.21202 
1 1 1 7   4   13 o 295.2889 15.32194 19.34494       1.977763  0.000000       0.000000  ?              ?        
1 1 1 7   4   14 o 674.2364 11.41941 102.0515       4.843360  98.23355       4.711541  12.78625       22.88444 
1 1 1 7   4   15 o 72.60546 23.73193 1.176015       1.257916  1.080733       1.203939  2.464821       39.75864 
1 1 1 7   4   16 o 148.2508 12.99850 5.440527       1.221202  4.368817       1.148720  16.62616       26.52690 
1 1 1 7   4   17 o 418.0823 9.144710 41.29278       3.024647  37.11918       2.015090  21.75787       19.50555 
1 1 1 7   4   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   4   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   0  o 290.5509 16.09898 20.19308       3.014203  17.34935       2.780436  22.12506       32.46330 
1 1 1 7   5   1  o 300.2481 15.37321 23.55491       2.964626  16.73240       2.754415  51.84259       31.12745 
1 1 1 7   5   2  o 566.2079 12.97208 72.88300       4.637433  68.22223       4.479077  18.69855       26.02233 
1 1 1 7   5   3  o 760.1370 14.05433 125.7726       6.583087  128.3465       6.671844  -7.678345      28.17837 
1 1 1 7   5   4  o 466.8584 12.20694 49.04096       3.577226  46.85863       3.488679  10.62347       24.46640 
1 1 1 7   5   5  o 319.4919 13.22517 22.01400       2.607761  22.93875       2.623096  -6.620361      26.56570 
1 1 1 7   5   6  o 1036.379 16.94562 239.6578       11.01497  233.3545       10.77718  13.72180       33.95550 
1 1 1 7   5   7  o 342.6936 12.48938 25.89663       2.691758  25.79805       2.611181  0.5855713      25.07660 
1 1 1 7   5   8  o 438.7232 11.76622 43.35093       3.287987  41.42009       3.117376  9.922943       23.59904 
1 1 1 7   5   9  o 443.0545 11.40065 42.96583       3.195884  43.38031       3.069359  -2.248077      22.87921 
1 1 1 7   5   10 o 483.4068 11.06955 53.25818       3.411501  49.72235       3.234370  16.53848       22.21599 
1 1 1 7   5   11 o 363.2162 10.98602 27.92996       2.450192  30.24085       2.495264  -14.50238      22.05369 
1 1 1 7   5   12 o 309.3494 15.66770 0.000000       0.000000  21.23078       2.119041  ?              ?        
1 1 1 7   5   13 o 288.2454 11.74149 20.06267       2.132372  16.75236       2.059598  26.20950       23.65934 
1 1 1 7   5   14 f 388.4043 9.790467 33.16122       2.361504  33.25349       2.352498  -0.5543213     19.63351 
1 1 1 7   5   15 o 148.2727 15.20090 4.568158       1.383621  5.219662       1.373147  -10.37160      31.28231 
1 1 1 7   5   16 o 525.1716 9.650639 62.27134       3.187768  59.00641       3.101863  14.13629       19.34122 
1 1 1 7   5   17 o 99.23742 20.11264 2.743437       1.515708  2.035042       1.018658  15.18489       39.09109 
1 1 1 7   5   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   0  o 597.8830 14.25978 76.97991       5.246410  80.60246       5.331941  -13.76660      28.64483 
1 1 1 7   6   1  o 580.2838 13.83532 74.38763       4.981394  73.83141       4.978989  2.190552       27.77563 
1 1 1 7   6   2  o 380.1183 14.11078 30.55601       3.299751  33.14376       3.343645  -15.55316      28.34910 
1 1 1 7   6   3  o 760.2961 14.37505 129.9343       6.871099  124.5255       6.691790  16.12109       28.83044 
1 1 1 7   6   4  o 138.3137 27.62093 6.736963       2.354493  2.289320       2.224683  63.65751       49.95799 
1 1 1 7   6   5  o 586.0133 12.90635 74.11256       4.677123  76.88479       4.706348  -10.79279      25.88907 
1 1 1 7   6   6  o 218.9469 18.01702 12.79838       2.503368  8.717163       2.354272  43.04880       37.09652 
1 1 1 7   6   7  o 663.9882 13.29258 95.23122       5.473192  98.67649       5.476859  -11.85730      26.66287 
1 1 1 7   6   8  o 288.4091 20.16496 0.000000       0.000000  18.45628       2.534912  ?              ?        
1 1 1 7   6   9  o 597.2770 12.60729 79.08067       4.687696  77.90247       4.654565  4.479492       25.29469 
1 1 1 7   6   10 o 85.33639 30.61531 1.454417       2.165001  1.355936       1.968388  3.887466       50.79666 
1 1 1 7   6   11 o 203.5345 17.18208 9.074980       2.130017  9.398145       2.168723  -3.583847      35.07119 
1 1 1 7   6   12 o 158.1192 29.94167 0.000000       0.000000  5.839841       2.000631  ?              ?        
1 1 1 7   6   13 o 100.7302 28.22487 3.281570       1.849709  1.474438       1.818370  27.57010       47.96923 
1 1 1 7   6   14 o 420.9351 11.09712 40.47050       2.803047  37.41008       2.996852  16.93146       22.39640 
1 1 1 7   6   15 o 180.9442 16.43437 7.079847       1.820651  7.488898       1.828471  -5.268356      33.59261 
1 1 1 7   6   16 o 187.7911 14.44813 8.422482       1.664786  7.191181       1.675551  15.27159       29.45450 
1 1 1 7   6   17 o 307.2098 9.174144 20.73166       1.741883  20.77669       1.750840  -0.3267212     18.39429 
1 1 1 7   6   18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   6   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   0  o 122.5350 36.77623 5.424151       3.004899  1.476907       3.030923  44.43973       60.73355 
1 1 1 7   7   1  o 98.52048 35.65220 3.161317       2.792978  0.5353304      2.807783  26.91442       58.39489 
1 1 1 7   7   2  o 809.8654 15.43713 146.1654       7.800523  142.9371       7.710752  9.022400       30.98827 
1 1 1 7   7   3  o 84.24171 32.99364 0.4770048      2.491995  1.460775       2.522284  -10.24779      54.61510 
1 1 1 7   7   4  o 564.9552 13.53192 69.85650       4.729119  70.57501       4.755604  -2.885925      27.16059 
1 1 1 7   7   5  o 170.0877 24.23073 6.930126       2.502094  6.141149       2.466971  10.61781       49.30634 
1 1 1 7   7   6  o 267.4330 16.26038 15.70602       2.642628  15.92457       2.728964  -1.742798      32.83911 
1 1 1 7   7   7  o 382.0685 13.57656 30.14359       3.162223  34.30839       3.265461  -24.84824      27.27570 
1 1 1 7   7   8  o 253.9991 16.49388 14.94084       2.559203  13.59980       2.611051  12.31818       33.44337 
1 1 1 7   7   9  o 113.6503 30.95338 3.379622       2.205250  2.574896       2.278018  10.74525       53.72236 
1 1 1 7   7   10 o 626.6002 18.60364 87.02689       5.107501  0.000000       0.000000  ?              ?        
1 1 1 7   7   11 f 390.7041 13.11895 31.62288       3.125410  35.95027       3.227077  -25.20779      26.38648 
1 1 1 7   7   12 f 221.7185 19.60439 9.785625       2.577662  12.46326       2.769821  -27.52896      40.30307 
1 1 1 7   7   13 o 509.8194 13.02365 59.24915       4.093421  55.56846       4.137689  16.63065       26.19254 
1 1 1 7   7   14 o 230.6474 17.12039 12.00489       2.355134  11.65023       2.517004  4.054855       34.93904 
1 1 1 7   7   15 o 251.2654 14.67372 14.51625       2.291404  13.42173       2.263195  9.992645       29.62887 
1 1 1 7   7   16 o 200.1625 16.52338 9.290437       2.087336  8.535206       1.983379  8.520111       33.62696 
1 1 1 7   7   17 o 290.0184 16.53843 0.000000       0.000000  18.61648       2.095158  ?              ?        
1 1 1 7   7   18 o 180.3051 12.22896 7.494957       1.395825  6.917370       1.326204  7.237854       24.73560 
1 1 1 7   7   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   7   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   0  o 99.65305 41.66414 0.9460812      4.197045  0.4242953      4.427503  0.8749161      69.17531 
1 1 1 7   8   1  o 668.6861 15.89754 97.21667       6.512302  100.5191       6.679466  -11.03705      31.98517 
1 1 1 7   8   2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   3  o 177.9842 29.04861 6.560648       3.046454  8.004130       3.149429  -17.86046      57.93546 
1 1 1 7   8   4  o 388.4756 15.75966 32.47997       3.743861  34.21860       3.837618  -10.13660      31.69999 
1 1 1 7   8   5  o 218.8219 22.66375 13.72149       3.072109  7.873386       2.993204  62.90477       48.12093 
1 1 1 7   8   6  f 87.02335 35.27141 0.9470813      2.936290  0.5624139      2.991742  2.541443       58.56964 
1 1 1 7   8   7  o 195.1281 27.07190 10.51200       3.152691  6.672795       3.225940  45.68684       55.71275 
1 1 1 7   8   8  o 391.3528 16.27038 30.10499       3.876872  37.88141       4.008946  -45.42578      32.87181 
1 1 1 7   8   9  o 238.8746 23.16887 10.84554       3.341461  14.90177       3.440872  -39.71165      48.21663 
1 1 1 7   8   10 o 831.5264 15.80052 159.5415       8.310668  146.7137       7.998524  34.78699       31.77221 
1 1 1 7   8   11 o 194.2994 28.11679 9.093957       3.191412  8.226954       3.399341  11.20424       57.75056 
1 1 1 7   8   12 o 264.6088 20.78935 13.48387       3.203852  18.55583       3.600882  -43.04546      42.61494 
1 1 1 7   8   13 o 115.8235 37.73362 0.7623071      2.971431  5.816629       3.272056  -55.99701      61.24566 
1 1 1 7   8   14 o 164.4780 29.40149 4.770069       2.738063  8.126552       3.069673  -42.97948      56.90235 
1 1 1 7   8   15 o 534.9834 18.26389 0.000000       0.000000  63.32077       4.279545  ?              ?        
1 1 1 7   8   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   17 o 222.9859 16.73751 11.04934       2.414890  11.02375       2.197086  -0.2664642     34.14840 
1 1 1 7   8   18 o 94.56041 27.32155 2.103289       1.783639  2.001455       1.613744  3.144951       46.94407 
1 1 1 7   8   19 o 280.6643 9.392320 18.34611       1.719420  16.51830       1.558281  14.66199       18.86845 
1 1 1 7   8   20 o 237.9368 7.897351 11.36498       1.152320  13.58700       1.176065  -21.34361      15.88079 
1 1 1 7   8   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   8   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   9   0  o 269.8388 36.01251 18.63813       5.955594  15.30616       5.802689  28.36191       74.94456 
1 1 1 7   9   1  o 228.1664 48.11394 20.76329       6.915356  6.031475       6.315581  120.5722       84.87983 
1 1 1 7   9   2  o 322.4301 35.04356 30.88643       7.310772  18.43774       6.545434  87.82178       74.01444 
1 1 1 7   9   3  o 378.6365 19.67429 33.39314       4.740665  30.56693       4.480663  16.59015       39.79623 
1 1 1 7   9   4  o 296.7119 22.96691 19.44738       4.309001  19.94575       4.088336  -4.609009      47.01182 
1 1 1 7   9   5  o 227.8332 28.07410 14.20659       4.004062  9.646147       3.773919  46.17613       58.27524 
1 1 1 7   9   6  o 331.8080 20.35428 20.65070       4.142208  28.46311       4.196946  -54.54803      41.80557 
1 1 1 7   9   7  o 340.1584 20.24278 29.76717       4.319996  21.98800       4.187225  52.66010       41.37776 
1 1 1 7   9   8  o 404.9022 18.67082 37.44508       4.517383  35.21473       4.854632  13.46588       37.91050 
1 1 1 7   9   9  o 89.82227 37.91396 2.032597       3.439503  -1.703548      3.833597  21.23994       62.71271 
1 1 1 7   9   10 o 360.8398 19.07594 30.58654       4.106991  27.22230       4.419631  22.52863       39.01169 
1 1 1 7   9   11 o 335.7967 26.88898 25.62021       3.927448  0.000000       0.000000  ?              ?        
1 1 1 7   9   12 o 303.8558 20.78625 21.76085       3.719741  19.42794       4.096139  19.35898       42.98313 
1 1 1 7   9   13 o 97.07931 37.87310 3.190973       3.153672  -0.6187944     3.452033  28.81525       61.62186 
1 1 1 7   9   14 o 262.8754 20.93152 15.62428       3.237201  15.20416       3.555258  4.697296       43.00391 
1 1 1 7   9   15 o 303.5221 17.57717 20.03230       3.222000  20.82565       3.373824  -5.738342      35.52002 
1 1 1 7   9   16 o 264.6050 18.12553 14.94329       2.909695  16.16532       3.007018  -10.48694      36.72837 
1 1 1 7   9   17 o 260.9636 16.84217 17.04152       2.727373  13.20161       2.696631  34.03197       34.36966 
1 1 1 7   9   18 o 167.5881 20.78257 5.095763       2.033960  7.782844       2.204877  -36.81273      42.89859 
1 1 1 7   9   19 o 494.9168 12.45248 54.64904       4.654208  53.69846       3.316871  2.374573       26.41168 
1 1 1 7   9   20 o 188.8332 14.90552 7.727978       1.657823  8.157622       1.816750  -4.809479      30.38399 
1 1 1 7   9   21 o 663.9994 11.15113 93.89481       4.510875  100.7799       4.679922  -23.43005      22.36193 
1 1 1 7   9   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   9   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   9   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   9   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   9   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   9   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   10  0  o 144.7629 43.80058 5.083163       4.352382  4.727398       4.188788  4.273605       74.33105 
1 1 1 7   10  1  o 168.9920 49.83250 2.395698       5.608398  11.40942       5.551291  -73.87202      81.38195 
1 1 1 7   10  2  o 319.6278 32.14274 22.27106       6.166177  24.72748       6.414286  -17.10385      67.11725 
1 1 1 7   10  3  o 566.2933 28.52906 78.12316       9.923498  66.92372       10.05685  46.66760       58.52883 
1 1 1 7   10  4  o 166.4455 59.33695 9.657755       7.532772  2.740119       7.931373  39.83423       96.41485 
1 1 1 7   10  5  o 346.0524 31.40461 0.000000       0.000000  27.37108       4.715049  ?              ?        
1 1 1 7   10  6  o 147.9167 41.24186 3.008555       3.726865  8.032166       4.160321  -53.27404      69.95665 
1 1 1 7   10  7  o 223.6227 33.07587 11.80146       4.311881  11.39706       4.602285  5.432556       67.88969 
1 1 1 7   10  8  o 506.0461 18.28473 56.06520       5.522803  57.94899       5.963183  -7.481140      36.96111 
1 1 1 7   10  9  f 201.3830 36.25839 6.738465       4.145412  13.14573       4.618701  -65.88887      69.82848 
1 1 1 7   10  10 o 124.7353 44.12491 2.802390       4.090063  4.073263       4.462457  -13.35867      72.92552 
1 1 1 7   10  11 o 275.7632 28.16634 21.44538       4.730715  13.28170       4.770712  71.19429       60.67958 
1 1 1 7   10  12 o 315.8803 24.88878 23.68345       4.819107  21.40407       4.856130  17.12881       51.24126 
1 1 1 7   10  13 o 664.2799 24.88864 0.000000       0.000000  98.82777       7.239105  ?              ?        
1 1 1 7   10  14 o 143.6967 45.55856 7.836999       4.365726  1.036663       4.774463  56.74094       73.66253 
1 1 1 7   10  15 o 456.1330 26.67248 0.000000       0.000000  46.49057       5.313211  ?              ?        
1 1 1 7   10  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   10  17 o 151.0585 34.92121 5.494661       3.094881  5.205439       3.331861  3.060303       63.71751 
1 1 1 7   10  18 o 431.8975 13.22303 39.21010       3.517398  43.19558       3.559932  -21.07950      26.58494 
1 1 1 7   10  19 o 925.4297 15.95599 183.2925       9.032841  195.8000       9.292151  -30.78271      32.06196 
1 1 1 7   10  20 o 45.90118 23.09927 0.000000       0.000000  -6.413618      2.108487  ?              ?        
1 1 1 7   10  21 o 202.8288 15.92603 7.524675       1.831730  11.55414       2.191868  -44.37094      32.51880 
1 1 1 7   10  22 o 199.7767 13.19253 9.785170       1.643066  8.019931       1.608954  20.37381       26.87064 
1 1 1 7   10  23 o 120.0228 16.09669 3.030215       1.231062  3.486249       1.114172  -9.635292      33.44054 
1 1 1 7   10  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   10  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   10  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   10  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   10  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   11  0  o 174.8257 41.08335 7.500876       4.201788  6.806035       4.581845  6.476288       74.58257 
1 1 1 7   11  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   11  2  o 294.5908 27.31534 19.36023       4.792448  19.91213       5.090591  -3.260529      56.45352 
1 1 1 7   11  3  o 235.5887 46.17424 7.604267       6.238519  20.41443       6.812409  -106.8678      84.85471 
1 1 1 7   11  4  o 132.7602 52.55766 7.067414       6.313992  -1.520331      6.536074  48.58521       85.09267 
1 1 1 7   11  5  o 276.9652 50.30333 18.03156       8.065064  19.86776       8.610147  -11.69806      99.81867 
1 1 1 7   11  6  f 271.4721 50.11732 17.73692       7.726415  18.73758       8.601653  -3.897522      99.16875 
1 1 1 7   11  7  o 158.3010 48.68806 10.13197       5.058462  1.456139       5.455087  69.09276       78.39970 
1 1 1 7   11  8  o 326.0532 28.09977 26.79428       5.437496  21.29529       5.840032  42.25296       59.60987 
1 1 1 7   11  9  o 307.7267 29.25618 21.29463       5.367311  22.12386       5.681236  -4.771515      60.96305 
1 1 1 7   11  10 o 282.4646 30.91288 20.06850       5.268111  16.61645       5.390315  29.97858       65.21150 
1 1 1 7   11  11 o 96.49886 44.10614 -6.985654      6.870171  0.7285353      5.250072  -15.12223      74.53139 
1 1 1 7   11  12 o 416.7228 22.21745 36.69361       5.438848  41.44469       6.055710  -24.57648      45.10651 
1 1 1 7   11  13 o 514.8716 19.73520 57.33404       6.105036  60.54350       6.496093  -13.55087      39.81591 
1 1 1 7   11  14 o 151.3348 53.90986 6.057413       5.427038  2.051908       8.094784  7.629715       89.68124 
1 1 1 7   11  15 o 314.2043 28.18466 21.21399       5.387342  23.21926       5.484152  -14.72168      57.96321 
1 1 1 7   11  16 o 233.4338 39.56665 12.17196       6.640450  12.98817       4.831370  -11.41652      80.89572 
1 1 1 7   11  17 o 201.0440 36.43984 8.700356       4.309409  10.26455       4.448262  -16.37558      71.27216 
1 1 1 7   11  18 o 574.6823 14.85445 73.08887       5.294502  72.96494       5.287475  0.4817505      29.85814 
1 1 1 7   11  19 o 143.1417 38.47783 6.343158       4.399859  4.199020       2.980538  28.18979       69.11638 
1 1 1 7   11  20 o 505.0424 24.12067 57.26278       5.327965  0.000000       0.000000  ?              ?        
1 1 1 7   11  21 o 193.9002 28.72301 8.343344       2.746514  9.916943       4.683178  -8.662399      63.55116 
1 1 1 7   11  22 o 296.7538 13.78556 19.58934       2.610285  19.60885       2.458063  -0.6903687     27.91894 
1 1 1 7   11  23 o 229.8079 14.51760 12.02239       2.124595  11.68764       1.999080  2.733170       29.59137 
1 1 1 7   11  24 o 54.02030 23.69547 -0.6247444     1.569929  0.3236910      1.478955  -7.517784      39.63825 
1 1 1 7   11  25 o 294.4459 9.199325 19.74161       1.635083  18.72874       1.724926  8.333221       18.60789 
1 1 1 7   11  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   11  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   11  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   11  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   12  0  o 241.2184 35.76263 13.43925       5.083328  13.12738       5.302474  3.509308       72.77772 
1 1 1 7   12  1  o 174.7717 49.03579 5.030337       5.383477  9.612288       5.691883  -41.11140      83.90086 
1 1 1 7   12  2  o 397.6326 37.91404 0.000000       0.000000  36.01574       6.532815  ?              ?        
1 1 1 7   12  3  o 527.2814 30.33235 62.58471       6.985751  0.000000       0.000000  ?              ?        
1 1 1 7   12  4  o 487.5110 22.59246 52.47213       6.674674  53.63215       6.961749  -4.771637      45.74721 
1 1 1 7   12  5  o 400.2923 37.00080 39.99802       8.897491  33.81567       9.282137  39.07413       78.32403 
1 1 1 7   12  6  o 544.6049 30.04224 68.99136       10.03536  65.72187       10.18600  14.64240       61.55398 
1 1 1 7   12  7  o 509.1062 32.23119 64.35355       9.998862  53.96430       10.25947  49.33151       66.94997 
1 1 1 7   12  8  o 513.9401 30.95797 56.87235       9.543070  64.07061       10.13103  -30.26660      63.58757 
1 1 1 7   12  9  o 412.6690 35.43227 37.15420       8.643513  41.92167       9.364763  -23.75873      73.95136 
1 1 1 7   12  10 o 396.2991 25.18785 34.62001       5.834566  36.24007       6.546652  -7.058899      51.62479 
1 1 1 7   12  11 o 752.3080 18.95646 126.2992       8.597820  124.7724       9.102576  5.677002       38.24981 
1 1 1 7   12  12 o 194.1779 48.76139 9.816942       5.751671  8.367736       5.984066  12.42799       86.81344 
1 1 1 7   12  13 o 783.3565 19.32664 132.1853       9.322792  139.4815       9.461621  -21.14532      38.91454 
1 1 1 7   12  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   12  15 o 700.2943 19.22818 121.8605       8.715784  97.33145       8.017752  78.99274       38.69670 
1 1 1 7   12  16 o 424.6527 22.21930 45.12034       5.893569  35.44852       5.773609  52.41330       45.24898 
1 1 1 7   12  17 o 258.5883 32.32508 12.68781       4.942937  18.36056       5.212255  -50.55904      67.42056 
1 1 1 7   12  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   12  19 o 395.9883 19.90383 36.63721       5.631879  33.91837       4.356922  12.38681       41.32508 
1 1 1 7   12  20 o 494.6113 39.39898 57.38999       8.477122  0.000000       0.000000  ?              ?        
1 1 1 7   12  21 o 141.4365 35.74566 1.260009       3.506433  7.278579       2.864292  -64.53948      59.32200 
1 1 1 7   12  22 o 131.7448 35.42933 5.636265       2.736314  2.434874       3.243938  35.70223       60.35324 
1 1 1 7   12  23 o 155.8150 35.75558 5.929163       2.655606  7.216049       5.504744  -5.863541      71.03382 
1 1 1 7   12  24 o 90.99026 31.51535 1.423827       2.220667  2.505063       2.119059  -11.90141      51.68978 
1 1 1 7   12  25 o 210.8026 17.70744 7.892430       2.355792  12.41800       2.237079  -53.33441      39.08133 
1 1 1 7   12  26 o 290.3081 12.14358 18.66837       2.170717  19.41858       2.193536  -5.818451      24.72751 
1 1 1 7   12  27 o 81.02617 23.64034 2.374949       1.215216  0.8671034      1.313376  25.41453       39.26669 
1 1 1 7   12  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   12  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   13  0  o 557.1777 22.58538 74.60347       7.813756  63.11736       7.766425  47.37738       45.67263 
1 1 1 7   13  1  o 658.8840 28.83035 96.74791       8.312038  0.000000       0.000000  ?              ?        
1 1 1 7   13  2  o 1156.206 31.23001 298.3415       15.82380  0.000000       0.000000  ?              ?        
1 1 1 7   13  3  o 789.8168 19.97706 128.5701       9.408710  148.9236       10.19835  -57.88684      40.15299 
1 1 1 7   13  4  o 100.4759 44.85991 -4.708525      5.564517  2.331683       5.839081  -38.26120      76.37426 
1 1 1 7   13  5  o 693.2452 20.53045 109.7206       8.767463  103.2799       8.871606  21.51996       41.37211 
1 1 1 7   13  6  o 266.4742 41.14807 17.45829       6.444047  15.61517       6.731215  16.77910       83.85329 
1 1 1 7   13  7  o 129.5597 57.43549 3.129759       8.864038  -5.854593      9.511981  29.30254       95.89189 
1 1 1 7   13  8  o 116.8837 54.20946 -6.438957      8.983269  -2.108881      9.839449  -20.94803      93.00812 
1 1 1 7   13  9  o 252.5315 45.00984 15.07005       6.322529  15.21791       7.385023  1.704544       89.41335 
1 1 1 7   13  10 o 183.2334 62.35319 9.070774       8.008867  6.266592       9.036429  12.67424       103.0422 
1 1 1 7   13  11 o 1171.628 30.50507 308.6686       22.06228  307.5959       22.24236  2.569580       61.80309 
1 1 1 7   13  12 o 484.3048 24.43835 48.27078       7.319414  56.28522       7.316878  -38.28818      49.63496 
1 1 1 7   13  13 o 645.9324 25.33137 70.28832       12.00410  105.4951       8.926652  -137.4191      58.54469 
1 1 1 7   13  14 o 638.5003 30.08449 91.51904       8.401988  0.000000       0.000000  ?              ?        
1 1 1 7   13  15 o 384.1766 31.82887 35.70518       9.680945  32.46941       6.359893  7.193848       71.35723 
1 1 1 7   13  16 o 486.6823 22.29472 54.14018       6.574500  51.46129       6.860375  13.46790       45.23850 
1 1 1 7   13  17 o 347.9523 26.85164 26.36613       5.505440  28.62230       6.032437  -13.10040      55.22731 
1 1 1 7   13  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   13  19 o 443.2352 20.80448 46.37281       6.782100  42.48781       5.017185  14.99731       43.67025 
1 1 1 7   13  20 o 445.3384 22.62612 64.32446       10.44491  40.41062       4.858589  92.29120       53.78682 
1 1 1 7   13  21 o 224.1599 27.98115 11.41608       4.470784  11.87479       3.370712  -12.55237      61.12652 
1 1 1 7   13  22 o 329.4853 23.78499 25.60688       3.887227  23.12990       7.142703  47.45337       65.21920 
1 1 1 7   13  23 o 104.8564 36.55198 0.4467734      2.799481  5.293109       3.054652  -50.36317      58.82406 
1 1 1 7   13  24 o 60.22337 28.28005 -3.417696      2.862348  0.1497890      2.537204  -14.80341      48.08230 
1 1 1 7   13  25 o 133.3219 30.65530 5.836599       2.651862  3.698820       2.341498  26.97579       56.26249 
1 1 1 7   13  26 o 63.45098 28.50471 0.3168004      2.284058  -0.7112870     2.397825  5.630669       47.08311 
1 1 1 7   13  27 o 177.5837 20.18205 7.900956       2.139421  7.456983       2.231146  7.924622       43.85755 
1 1 1 7   13  28 o 131.7881 22.08838 4.489813       1.757487  4.367370       1.726736  1.520866       45.37311 
1 1 1 7   13  29 o 56.15213 24.39237 0.4017837      1.309282  -0.7274037E-01 2.141663  -6.292656      40.67016 
1 1 1 7   14  0  o 557.2236 23.81570 71.39102       8.158285  66.72179       8.269002  19.54919       48.16546 
1 1 1 7   14  1  o 333.9584 34.86633 25.15727       6.944518  25.48737       7.302300  -1.115631      72.42799 
1 1 1 7   14  2  o 476.5984 25.73416 48.34961       7.349195  53.11694       7.833855  -22.14392      52.09639 
1 1 1 7   14  3  o 382.2812 29.92197 30.38417       6.772665  35.56022       7.339687  -30.15710      61.15714 
1 1 1 7   14  4  o 468.3555 25.75776 45.44055       7.151997  52.87420       7.799190  -35.35089      52.14252 
1 1 1 7   14  5  o 538.2666 23.77380 63.28787       7.601416  65.60717       8.278751  -8.732971      48.09901 
1 1 1 7   14  6  o 802.1592 28.59863 143.6201       10.04643  0.000000       0.000000  ?              ?        
1 1 1 7   14  7  o 643.5526 29.55414 92.68877       8.320371  0.000000       0.000000  ?              ?        
1 1 1 7   14  8  f 626.9285 22.35275 94.04454       8.647347  80.34188       8.710998  50.43848       45.23964 
1 1 1 7   14  9  o 841.3685 21.59638 146.8173       10.82941  168.8851       11.75146  -58.55487      43.47202 
1 1 1 7   14  10 f 498.2871 37.07208 63.08426       11.51776  50.00444       11.24088  60.89673       76.72731 
1 1 1 7   14  11 o 523.7529 37.98066 73.04434       12.52114  52.54950       12.00679  90.42053       79.01050 
1 1 1 7   14  12 o 114.4022 52.12981 -1.995631      7.346292  -4.422390      9.323120  -8.763016      89.23339 
1 1 1 7   14  13 o 566.9221 46.55263 0.000000       0.000000  74.59610       11.47439  ?              ?        
1 1 1 7   14  14 o 316.0708 53.55005 24.43239       10.55769  23.79955       9.741202  1.270844       107.9723 
1 1 1 7   14  15 f 449.9042 25.27596 40.49935       6.786357  51.07331       7.292458  -52.93393      51.45629 
1 1 1 7   14  16 o 405.7979 27.65731 30.66342       6.324867  47.10995       7.723701  -88.03006      56.68759 
1 1 1 7   14  17 o 270.1374 35.45200 12.22774       5.417955  23.37593       6.269957  -91.45984      73.45359 
1 1 1 7   14  18 o 146.5344 48.01358 5.409448       5.064740  4.647109       5.002631  6.621262       80.05627 
1 1 1 7   14  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   14  20 o 492.7599 48.49244 60.58295       10.34554  0.000000       0.000000  ?              ?        
1 1 1 7   14  21 o 234.2516 30.19838 12.63295       4.995286  13.19478       3.812748  -15.30878      65.98721 
1 1 1 7   14  22 o 88.04550 37.56139 -0.5054591     3.914533  1.458237       3.380525  -7.332527      61.66746 
1 1 1 7   14  23 o 222.0573 29.01575 10.25448       3.711439  14.28233       4.123658  -38.28145      61.93364 
1 1 1 7   14  24 o 89.65881 37.05342 1.494831       3.546703  1.474716       3.184693  2.712578       59.87953 
1 1 1 7   14  25 o 117.8513 36.73861 1.312795       3.117851  6.140029       2.850422  -49.03585      58.70443 
1 1 1 7   14  26 o 126.1134 33.61610 3.828071       2.835508  5.124547       2.543245  -17.23456      58.38423 
1 1 1 7   14  27 o 55.77443 26.41472 -2.853133      2.614136  0.7416630E-01  2.288285  -10.97384      44.33949 
1 1 1 7   14  28 o 54.71025 25.75424 -1.225918      2.363178  -0.5237103     2.153435  -1.352703      42.80782 
1 1 1 7   14  29 o 56.32001 25.92556 -0.8100143     1.902590  0.5529270      2.340948  -13.14297      43.10270 
1 1 1 7   15  0  o 331.1612 40.83826 26.04687       8.142666  24.60070       8.282577  10.98224       85.39713 
1 1 1 7   15  1  o 202.4359 56.50063 11.69478       7.196850  8.161614       7.543386  25.67830       97.25733 
1 1 1 7   15  2  o 621.8889 23.94254 92.95727       9.238031  79.28075       9.200235  50.63495       48.50236 
1 1 1 7   15  3  o 545.6860 25.63343 70.78513       8.565446  61.81244       8.742621  38.41510       52.09317 
1 1 1 7   15  4  o 774.0856 31.46923 134.3472       10.66277  0.000000       0.000000  ?              ?        
1 1 1 7   15  5  o 278.6122 43.78984 22.09852       7.218342  13.79247       7.423481  67.45117       88.23492 
1 1 1 7   15  6  o 501.6028 26.28252 60.37270       8.290999  52.11892       8.014807  37.45663       53.27700 
1 1 1 7   15  7  o 342.1691 35.30413 24.51853       7.490687  28.56024       7.285593  -28.83060      73.76060 
1 1 1 7   15  8  o 312.4043 40.04187 31.35820       7.862439  14.71498       7.328783  122.0335       83.56454 
1 1 1 7   15  9  o 181.6281 58.91120 1.169684       7.553150  14.34598       7.621885  -88.54395      94.36972 
1 1 1 7   15  10 o 640.3785 23.79762 90.37634       9.402945  92.07372       9.471275  -5.970337      48.02999 
1 1 1 7   15  11 o 131.9849 55.10107 -3.087986      7.619022  5.699089       7.420475  -42.31551      90.70679 
1 1 1 7   15  12 o 701.8066 33.12386 114.5076       14.29808  108.0377       14.46256  21.95990       67.57791 
1 1 1 7   15  13 o 226.2419 84.12968 0.000000       0.000000  12.54620       11.14538  ?              ?        
1 1 1 7   15  14 o 535.8660 37.81700 83.30988       12.37163  48.35616       12.61176  158.2449       83.51281 
1 1 1 7   15  15 o 423.5287 36.99099 39.32518       9.314761  44.12580       9.959520  -23.66577      77.37759 
1 1 1 7   15  16 o 284.1599 48.83092 17.34427       7.885641  22.63111       8.781035  -36.44008      98.08600 
1 1 1 7   15  17 o 243.8468 53.16090 16.79426       7.278110  12.13759       8.488711  38.14476       98.72939 
1 1 1 7   15  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   15  19 o 275.2407 33.18560 13.72348       6.547727  20.02446       4.905117  -65.15305      75.11868 
1 1 1 7   15  20 f 200.8251 42.72461 12.79617       6.180948  8.779352       4.518584  30.79631       82.08113 
1 1 1 7   15  21 o 84.60300 40.33489 -2.903533      8.827809  -4.157449      4.701174  37.04361       73.82220 
1 1 1 7   15  22 o 327.9727 26.75078 25.92702       5.722458  25.23893       5.118296  -1.500854      57.14820 
1 1 1 7   15  23 o 99.04911 42.64215 -0.2904517E-01 3.569694  12.97063       9.781796  -70.80695      82.35516 
1 1 1 7   15  24 o 100.0643 38.92624 2.581105       3.399194  2.414782       3.546560  0.5810852      62.44791 
1 1 1 7   15  25 o 197.7286 31.18196 9.520831       3.604465  11.35374       3.799310  -17.61256      66.07383 
1 1 1 7   15  26 o 99.68192 40.46386 13.55430       7.799372  1.544851       2.954482  48.93711       72.94040 
1 1 1 7   15  27 o 62.05575 29.06832 -3.669519      2.917308  1.706557       2.708328  -24.81852      48.34359 
1 1 1 7   15  28 o 77.40380 32.80025 1.723009       2.963091  1.296357       2.540152  4.558029       51.79464 
1 1 1 7   15  29 o 52.86499 25.42779 -1.073981      2.638518  -1.498111      2.293722  5.373127       42.42334 
1 1 1 7   16  0  o 165.2546 61.93010 6.062210       8.611191  4.764467       8.537745  7.581390       101.6708 
1 1 1 7   16  1  o 345.5771 44.11514 34.82248       9.484446  21.38847       9.016443  89.76224       92.46401 
1 1 1 7   16  2  o 162.8710 61.47849 2.851554       8.483318  7.573546       8.482552  -25.87682      100.6011 
1 1 1 7   16  3  o 529.9429 28.91182 76.73816       9.622746  50.39932       9.321088  115.0004       60.02588 
1 1 1 7   16  4  o 425.9268 33.16817 40.01261       8.761354  42.29878       8.628888  -13.12292      68.35514 
1 1 1 7   16  5  o 207.3868 58.45567 17.67552       8.151389  4.466794       7.564606  95.37625       96.83989 
1 1 1 7   16  6  o 506.1555 29.66436 53.78664       9.284959  61.41253       9.261384  -35.15738      60.59784 
1 1 1 7   16  7  o 497.3578 30.00810 51.08574       8.895597  60.94427       9.571644  -44.11713      61.17150 
1 1 1 7   16  8  o 348.8646 40.88509 19.35848       8.585485  37.32629       8.778096  -121.5896      87.60145 
1 1 1 7   16  9  o 173.6454 61.18898 5.330449       8.245998  8.131549       8.142286  -16.38594      100.7133 
1 1 1 7   16  10 o 200.9691 60.40992 9.592357       8.188604  10.30989       8.088695  -4.657852      102.4821 
1 1 1 7   16  11 o 337.9457 41.11016 19.11155       8.280008  34.71018       8.611826  -107.9095      87.30816 
1 1 1 7   16  12 o 270.1962 48.70855 13.36999       7.742331  22.15874       7.990937  -68.33952      94.90977 
1 1 1 7   16  13 o 375.1013 49.09072 0.000000       0.000000  33.86382       7.883340  ?              ?        
1 1 1 7   16  14 o 210.9350 53.72095 13.36894       6.788256  8.651305       7.338466  36.87231       94.51924 
1 1 1 7   16  15 o 99.99758 49.24369 -18.61621      10.11432  -7.677596      11.66588  -33.78387      88.91940 
1 1 1 7   16  16 o 257.1381 68.84203 15.78609       10.55528  20.02180       11.97580  -23.66574      120.8550 
1 1 1 7   16  17 f 95.05789 47.39020 -22.30433      10.75162  -12.82859      11.78195  -23.69014      85.79311 
1 1 1 7   16  18 o 279.5278 43.24140 21.08557       7.423091  17.14404       7.099898  30.19815       89.26576 
1 1 1 7   16  19 o 196.8325 53.49897 18.61023       9.163830  7.362392       5.536649  75.23752       97.31526 
1 1 1 7   16  20 o 184.2624 55.42988 15.61894       10.19984  7.848622       5.503666  41.62010       99.55318 
1 1 1 7   16  21 o 121.0762 50.87793 0.000000       0.000000  2.759278       4.577458  ?              ?        
1 1 1 7   16  22 o 224.7804 47.31403 5.203416       7.457467  19.77920       5.677114  -119.5980      80.50085 
1 1 1 7   16  23 o 78.91714 36.41932 -1.887617      4.060695  0.5555024      4.261642  -12.46806      60.11903 
1 1 1 7   16  24 o 97.04742 41.64314 1.439868       4.449524  2.349512       4.541335  -5.110123      66.18124 
1 1 1 7   16  25 o 144.5452 46.56903 6.852275       3.611849  10.99730       9.078567  6.519028       77.67841 
1 1 1 7   16  26 o 70.66088 32.97912 -1.157815      3.722625  0.2371442      3.415711  -3.777519      53.29848 
1 1 1 7   16  27 f 70.30577 32.14115 0.1772979      3.220894  0.2295028      3.055630  0.8266373      51.54131 
1 1 1 7   16  28 o 59.39532 28.46219 -1.050642      3.087001  -1.283389      2.925469  2.196266       46.61191 
1 1 1 7   16  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   17  0  o 288.8473 54.90210 16.67809       9.743083  24.09753       9.232982  -54.88345      106.3064 
1 1 1 7   17  1  o 96.53623 47.55870 -13.02973      10.16090  -14.62035      10.07010  4.090508       84.95097 
1 1 1 7   17  2  o 124.3098 55.85719 -2.802050      8.945366  -1.187468      9.028466  -6.698471      94.14935 
1 1 1 7   17  3  o 515.8849 33.95817 56.13769       10.73817  64.59274       10.87648  -37.94724      69.74017 
1 1 1 7   17  4  f 414.5156 39.92299 43.59394       10.19398  35.71325       10.08425  45.05270       83.96605 
1 1 1 7   17  5  o 123.4589 55.06245 1.858162       8.391409  -4.823638      8.736710  23.24054       92.30481 
1 1 1 7   17  6  o 179.0784 64.42712 -0.3445575     8.797922  16.18999       9.499687  -95.02231      103.0583 
1 1 1 7   17  7  o 619.8260 27.99604 81.22289       10.33995  92.57931       11.18234  -39.83826      56.91543 
1 1 1 7   17  8  o 132.2605 57.80457 -0.3380383     8.863841  0.3052097      9.116161  -4.406967      96.10487 
1 1 1 7   17  9  o 200.2885 63.14386 11.24926       8.810746  8.938665       8.717804  14.82048       105.7373 
1 1 1 7   17  10 o 146.6599 59.28500 -0.4863150     8.158075  7.419548       8.550899  -41.59305      97.03556 
1 1 1 7   17  11 o 143.1866 57.84833 -0.5885479     7.745147  7.255435       8.156576  -42.53981      94.69679 
1 1 1 7   17  12 o 428.6035 34.33315 38.75810       8.910616  45.97791       9.200191  -38.59595      71.46532 
1 1 1 7   17  13 o 122.0125 55.45760 -6.499394      11.05682  -0.9696829E-01 7.995363  1.473160       93.59206 
1 1 1 7   17  14 o 203.6599 58.87463 4.368578       7.500828  18.08948       8.267945  -96.69296      97.04477 
1 1 1 7   17  15 f 258.3866 51.61665 22.12226       7.690920  9.980103       8.312388  93.58363       95.54217 
1 1 1 7   17  16 o 86.09584 43.20477 -18.64295      7.114748  0.000000       0.000000  ?              ?        
1 1 1 7   17  17 o 238.7116 54.41822 17.75149       7.819080  11.72635       7.939208  46.12833       99.44054 
1 1 1 7   17  18 o 175.3401 73.09722 0.2259962      13.40951  14.17248       13.00534  -44.31584      115.5911 
1 1 1 7   17  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   17  20 o 127.5771 60.54099 -2.256451      9.132221  0.000000       0.000000  ?              ?        
1 1 1 7   17  21 o 173.3932 61.00351 0.000000       0.000000  10.24366       5.757050  ?              ?        
1 1 1 7   17  22 o 122.3388 49.45767 2.700603       7.420071  5.062828       4.933526  -6.155785      77.87696 
1 1 1 7   17  23 o 85.41510 39.81181 -1.694445      5.908988  -0.7625142E-01 4.637134  1.857826       64.78545 
1 1 1 7   17  24 o 79.66711 37.20000 -1.581337      4.722080  0.1655095      4.372649  -4.355759      60.33254 
1 1 1 7   17  25 o 54.34893 27.28499 -3.843609      3.823442  -8.868707      4.283582  7.134800       47.39187 
1 1 1 7   17  26 o 80.59873 35.96015 2.877266       3.471406  -0.7610264     3.868729  15.65990       56.38158 
1 1 1 7   17  27 o 93.12162 38.36102 3.357689       3.905894  3.038144       3.318310  1.446335       58.67805 
1 1 1 7   17  28 o 67.02082 31.48231 0.6486882      3.408370  -0.5644857     3.261226  5.484535       49.92194 
1 1 1 7   18  0  o 159.8159 63.95923 5.935365       9.883500  4.122270       9.361719  10.49831       103.8168 
1 1 1 7   18  1  o 140.8156 60.76550 1.408130       9.855391  1.087576       9.502192  3.401596       99.97594 
1 1 1 7   18  2  f 576.4137 31.83547 88.16479       11.84303  65.11676       10.89416  89.47064       65.47920 
1 1 1 7   18  3  o 264.1599 64.04425 25.61416       10.51085  10.48741       10.26259  97.38573       111.7323 
1 1 1 7   18  4  o 181.7771 78.72057 2.666248       11.56153  0.000000       0.000000  ?              ?        
1 1 1 7   18  5  o 248.8646 72.56581 15.96538       10.15189  16.38102       14.99582  -5.660950      126.2083 
1 1 1 7   18  6  o 168.3401 66.35239 2.156076       9.887774  8.445534       10.53323  -32.55559      108.5432 
1 1 1 7   18  7  o 522.4932 35.56673 61.45053       11.28432  63.34661       11.64191  -7.126129      73.27248 
1 1 1 7   18  8  o 257.3980 71.63618 20.92072       10.27595  10.45361       14.49740  54.30606       121.8340 
1 1 1 7   18  9  f 144.7687 61.10413 1.373945       9.371856  2.466742       9.435385  -5.035492      100.5741 
1 1 1 7   18  10 o 562.8132 30.85722 76.51558       10.84842  67.38593       10.61886  37.03778       63.17966 
1 1 1 7   18  11 o 142.9994 60.36193 2.845309       9.153424  0.9857049      9.201838  7.637741       99.26894 
1 1 1 7   18  12 o 131.2121 56.59800 -3.035279      8.160954  4.838930       8.630247  -37.37599      93.96604 
1 1 1 7   18  13 o 183.1676 60.98280 8.626028       7.972672  7.956044       8.253504  3.338852       101.0354 
1 1 1 7   18  14 x ?        ?        -24.27527      8.621456  -27.43500      8.877974  1.774742       64.95518 
1 1 1 7   18  15 x ?        ?        0.000000       0.000000  -76.42343      9.745516  ?              ?        
1 1 1 7   18  16 o 127.0373 53.52821 2.071164       6.837633  1.680186       7.618193  -3.232239      87.64105 
1 1 1 7   18  17 o 98.71112 46.20762 -4.146507      6.417079  -1.897098      7.982761  -20.13196      79.12212 
1 1 1 7   18  18 o 180.5492 60.61868 2.196718       7.965719  16.99281       8.056062  -86.87866      95.74990 
1 1 1 7   18  19 o 106.9728 48.21448 -3.614834      9.284847  1.229321       5.568869  5.589088       79.93401 
1 1 1 7   18  20 o 110.7199 49.08583 -3.849564      11.42883  2.331058       5.205058  8.765274       81.42178 
1 1 1 7   18  21 f 130.9828 57.26713 0.000000       0.000000  4.983680       6.242386  ?              ?        
1 1 1 7   18  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   18  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   18  24 o 126.6054 48.12127 12.58813       5.323629  0.4731015      5.119533  66.76543       73.52039 
1 1 1 7   18  25 o 86.37934 40.21351 3.245955       5.063575  -1.039161      5.433808  12.22188       62.24682 
1 1 1 7   18  26 o 85.11174 38.45792 5.332244       4.193467  -2.238691      4.477542  29.50935       59.82787 
1 1 1 7   18  27 o 72.23455 34.08171 -4.884832      4.029939  5.416638       3.937779  -35.58413      54.85649 
1 1 1 7   18  28 o 76.30011 35.01175 2.458422       3.956331  0.9810162      3.601751  6.051430       53.38745 
1 1 1 7   19  0  o 180.0856 67.89214 10.93537       10.40514  6.686449       10.27205  19.54755       108.8126 
1 1 1 7   19  1  o 348.1176 52.01192 34.06437       10.87533  27.58939       10.90031  43.67429       110.1227 
1 1 1 7   19  2  o 394.5638 48.92216 38.96879       11.64418  37.94754       11.79255  7.631500       106.1561 
1 1 1 7   19  3  o 332.3441 57.17083 22.46436       11.20478  34.19514       11.52476  -74.87073      114.9257 
1 1 1 7   19  4  o 248.5898 88.28544 12.31888       17.27864  24.34367       16.89706  -44.76283      141.3246 
1 1 1 7   19  5  o 178.3316 76.98014 0.000000       0.000000  3.921873       10.98538  ?              ?        
1 1 1 7   19  6  o 365.6823 51.95949 36.07558       11.16087  28.87248       11.77399  50.30276       109.8541 
1 1 1 7   19  7  x ?        ?        -46.53223      10.64889  -48.49646      10.81577  ?              ?        
1 1 1 7   19  8  o 832.5391 26.45795 160.4922       13.72354  151.5011       13.57101  24.50970       53.70255 
1 1 1 7   19  9  o 588.0530 30.81244 60.11566       10.70037  101.0753       11.77824  -157.9693      64.21864 
1 1 1 7   19  10 o 601.4582 31.98578 81.79786       12.38628  83.25606       11.45055  -9.698608      65.93749 
1 1 1 7   19  11 o 795.8658 26.15956 138.5340       13.01804  146.9594       12.77971  -25.39404      53.22605 
1 1 1 7   19  12 x ?        ?        -35.00150      8.999022  -48.45781      9.545912  ?              ?        
1 1 1 7   19  13 o 244.5726 59.83977 15.85872       8.880421  15.79270       9.130607  1.127930       107.9877 
1 1 1 7   19  14 o 270.1371 54.75233 12.65946       8.603094  26.11022       9.142226  -94.52200      102.2647 
1 1 1 7   19  15 o 109.2854 50.02849 -2.852913      7.271129  -0.5621709     8.046005  -13.87700      83.82370 
1 1 1 7   19  16 o 264.2181 54.79490 20.54688       7.685099  16.00798       10.21838  47.69247       104.4141 
1 1 1 7   19  17 o 254.8248 54.76457 15.16413       8.258373  21.30416       8.546841  -42.64175      103.3002 
1 1 1 7   19  18 o 155.9718 59.47828 10.72935       8.093506  3.974961       7.888353  33.28984       94.17391 
1 1 1 7   19  19 o 138.1636 54.54232 0.1967503      9.329918  7.488465       5.722343  -23.30017      85.29989 
1 1 1 7   19  20 o 119.2773 51.37165 6.044898       11.95469  2.839676       5.333451  22.34125       85.19674 
1 1 1 7   19  21 f 162.1049 62.89457 0.000000       0.000000  12.23727       6.393450  ?              ?        
1 1 1 7   19  22 o 114.2014 52.50496 0.000000       0.000000  3.686966       6.029637  ?              ?        
1 1 1 7   19  23 o 122.2934 51.76941 4.403206       8.004377  7.522871       5.990180  -12.69577      76.99615 
1 1 1 7   19  24 o 118.7997 48.32166 6.041396       5.704929  6.499458       5.473085  -2.587532      71.99005 
1 1 1 7   19  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   19  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   19  27 o 65.67215 33.21407 0.000000       0.000000  -5.392791      4.680485  ?              ?        
1 1 1 7   19  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   20  0  o 161.6823 78.15929 0.000000       0.000000  0.7371907E-01  16.85523  ?              ?        
1 1 1 7   20  1  o 273.7384 74.06174 36.86588       16.73948  18.34022       10.85303  56.49181       132.6796 
1 1 1 7   20  2  o 208.1905 71.47667 19.72795       11.05906  6.701263       11.22970  62.00534       114.0502 
1 1 1 7   20  3  o 133.4983 60.34295 -2.213958      10.20384  2.075942       11.20149  -17.85396      99.08667 
1 1 1 7   20  4  o 166.2267 74.20715 5.611884       14.35790  -0.4028812     17.18898  6.367371       118.6142 
1 1 1 7   20  5  f 330.5121 56.49159 28.80033       10.54480  27.95658       11.91253  16.35977       116.2149 
1 1 1 7   20  6  o 106.5176 51.05202 -12.62931      9.351557  -0.8076528     10.02501  -35.32742      88.73756 
1 1 1 7   20  7  o 124.3254 56.60555 -0.5796409     9.458030  -3.018154      9.742267  6.074921       94.11230 
1 1 1 7   20  8  o 185.4670 67.29885 14.35511       9.902875  3.445257       10.07361  53.92967       107.9606 
1 1 1 7   20  9  o 215.8062 70.14883 6.690465       12.91189  16.62832       9.410025  -46.83534      113.5653 
1 1 1 7   20  10 o 197.0527 65.35563 11.38379       9.294874  9.899581       9.337676  8.373032       107.5627 
1 1 1 7   20  11 o 119.6144 54.28484 -2.278794      8.703661  -0.4601927     8.772871  -6.706589      90.16525 
1 1 1 7   20  12 o 122.5467 55.32722 0.7073795      8.970979  -2.304722      8.903604  10.72618       91.40519 
1 1 1 7   20  13 o 106.2833 50.60838 -3.407797      8.664112  -8.057413      9.799809  4.461090       85.65559 
1 1 1 7   20  14 o 152.4412 60.41973 6.152486       8.130653  4.871876       8.916647  3.430130       96.84493 
1 1 1 7   20  15 o 182.0076 66.04868 13.16604       8.777480  5.645736       10.76288  33.97194       104.2649 
1 1 1 7   20  16 f 291.5504 65.24746 23.85037       10.41253  30.36179       13.03455  -11.94356      123.1221 
1 1 1 7   20  17 o 131.5180 55.41906 3.552382       7.880540  4.369787       7.558337  -2.398514      87.76957 
1 1 1 7   20  18 f 110.1895 49.84265 -0.3421767     7.278959  2.045505       7.308302  -8.286247      79.98221 
1 1 1 7   20  19 o 102.5879 47.01431 2.641810       10.02824  -0.1912382     5.440045  24.55109       78.47568 
1 1 1 7   20  20 f 77.37346 38.28969 -8.174531      12.26088  -5.822263      5.244232  26.41085       67.84782 
1 1 1 7   20  21 o 98.37077 46.80825 -1.832330      13.29410  0.2772872      6.085499  11.96364       75.23358 
1 1 1 7   20  22 o 101.0192 51.47014 -8.385328      12.77845  0.000000       0.000000  ?              ?        
1 1 1 7   20  23 o 105.1090 47.55441 7.817466       7.179045  1.865690       6.212097  16.65610       71.48342 
1 1 1 7   20  24 f 108.9732 47.27734 1.275268       5.947659  10.75703       5.890889  -31.89511      69.63641 
1 1 1 7   20  25 o 82.84172 40.86454 -0.6932584E-02 5.338549  0.000000       0.000000  ?              ?        
1 1 1 7   20  26 o 90.50931 42.00790 5.540730       5.201120  2.798401       6.238588  7.568291       60.63656 
1 1 1 7   20  27 o 72.03688 35.11957 1.555066       5.009613  -0.4291205     5.174109  3.730812       53.06481 
1 1 1 7   21  0  o 199.5672 78.44689 7.961729       14.71587  23.10306       13.76490  -47.18100      118.7867 
1 1 1 7   21  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   21  2  f 146.7365 69.05371 6.973917       15.67105  -4.847623      16.70024  18.06313       108.0760 
1 1 1 7   21  3  f 122.9551 59.61021 -10.32879      13.57460  -4.249055      14.74166  -14.36012      98.42290 
1 1 1 7   21  4  o 227.1547 72.25215 11.68478       9.845885  27.64082       14.23619  -61.61552      121.7311 
1 1 1 7   21  5  o 203.2163 67.38430 13.94678       9.521008  11.25690       10.33656  14.91980       109.5209 
1 1 1 7   21  6  o 369.4045 47.56646 32.06949       10.24794  38.57167       11.09688  -33.10138      104.7833 
1 1 1 7   21  7  o 117.1536 54.93118 1.061741       9.680356  -8.660146      10.50100  21.05582       91.24532 
1 1 1 7   21  8  o 155.7106 65.88087 2.271142       12.77577  6.557640       9.768483  -5.266479      105.0824 
1 1 1 7   21  9  o 195.5863 65.82075 11.82204       8.828008  10.76162       10.21012  6.044846       107.2256 
1 1 1 7   21  10 o 259.5296 57.52954 18.46974       8.260033  19.01676       10.03327  7.753021       108.3303 
1 1 1 7   21  11 o 124.1813 56.43243 4.775494       8.769579  -7.540995      10.40162  28.96143       91.79117 
1 1 1 7   21  12 o 151.6615 62.33013 1.362217       8.908924  10.86548       10.01384  -41.29567      99.83000 
1 1 1 7   21  13 o 218.0791 63.38194 8.888751       8.701658  21.70219       9.519717  -73.74179      105.6218 
1 1 1 7   21  14 o 156.0271 61.13837 -0.4563509     8.483344  15.19569       8.746471  -71.79311      96.04488 
1 1 1 7   21  15 o 109.9814 51.78152 -1.477341      8.155003  -3.142865      10.49496  -6.476303      84.80635 
1 1 1 7   21  16 o 116.8004 53.20815 2.226216       8.167247  -0.4312718     8.863581  5.373718       84.87299 
1 1 1 7   21  17 o 115.1651 51.52150 5.232035       7.878457  -0.6602724     7.267490  22.00836       82.02363 
1 1 1 7   21  18 o 116.0497 51.97976 0.4550105      8.075109  5.386712       7.398172  -13.93634      80.63007 
1 1 1 7   21  19 o 104.4877 47.27013 0.5868593      8.670881  2.805682       5.493656  1.163681       74.09267 
1 1 1 7   21  20 o 75.54202 37.32301 -3.080290      9.149433  -6.145848      5.191682  24.59215       64.88185 
1 1 1 7   21  21 o 131.5140 57.28452 -0.1027642     14.54410  11.39186       6.848606  -28.77148      81.75326 
1 1 1 7   21  22 o 97.82896 47.40648 0.000000       0.000000  2.224121       6.296551  ?              ?        
1 1 1 7   21  23 o 80.08904 39.46960 8.139280       8.735493  -5.789717      5.990952  26.50441       63.63740 
1 1 1 7   21  24 o 84.37345 40.71719 0.1457917      7.209517  2.112505       5.815237  -2.096153      61.37775 
1 1 1 7   21  25 o 70.50909 34.79991 -4.711376      5.486603  2.572199       5.515247  -13.20995      54.25121 
1 1 1 7   21  26 o 86.15504 40.53041 0.2898745E-01  5.477226  8.467526       5.644670  -19.08279      59.15146 
1 1 1 7   21  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   22  0  o 116.1092 56.05379 -8.109411      14.02847  -0.4971580     10.88186  -3.452988      89.66667 
1 1 1 7   22  1  o 154.2748 74.53376 6.121873       15.27102  0.000000       0.000000  ?              ?        
1 1 1 7   22  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   22  3  o 160.6557 76.95543 7.194647       15.48916  0.000000       0.000000  ?              ?        
1 1 1 7   22  4  o 122.5061 59.08702 0.3225308      13.32669  -7.744317      13.54684  12.61302       94.71615 
1 1 1 7   22  5  o 127.2520 61.17742 -1.066354      13.77066  -5.294682      14.51994  4.914825       97.56732 
1 1 1 7   22  6  o 132.3604 61.86019 -7.145726      16.45082  2.915688       10.59008  -2.935638      98.66543 
1 1 1 7   22  7  o 144.6998 64.74568 -5.272614      14.44696  8.529626       10.39898  -23.93163      101.1749 
1 1 1 7   22  8  o 117.9970 53.90557 0.1117369      8.084373  -0.5015569     9.741122  -5.848862      87.69631 
1 1 1 7   22  9  o 148.5280 60.16552 9.566334       7.961604  0.8231285      9.468253  32.69453       94.26311 
1 1 1 7   22  10 o 122.2672 55.17715 5.508045       8.008676  -6.325535      10.10862  26.83332       88.29752 
1 1 1 7   22  11 o 159.0210 72.39460 7.077109       11.09598  0.000000       0.000000  ?              ?        
1 1 1 7   22  12 o 126.7923 56.31236 -6.417572      8.626780  12.24435       9.105103  -65.16204      91.17047 
1 1 1 7   22  13 o 144.9953 59.12289 6.517499       8.119202  5.959418       8.681526  1.567154       92.46255 
1 1 1 7   22  14 o 148.9090 62.67235 5.732702       9.068431  9.820816       10.86843  -14.00818      96.84750 
1 1 1 7   22  15 o 144.9055 66.67014 7.721828       9.746736  0.000000       0.000000  ?              ?        
1 1 1 7   22  16 o 88.14126 43.34031 -10.07857      8.517864  -2.123827      8.041732  -12.58774      71.65062 
1 1 1 7   22  17 o 114.0784 52.21200 1.848993       8.655416  4.436612       7.992360  -5.782936      80.02950 
1 1 1 7   22  18 o 99.71902 47.25195 -4.079179      8.022842  4.073764       7.616671  -17.94311      74.33256 
1 1 1 7   22  19 o 105.9743 48.09294 -5.766523      8.924914  6.467415       5.776004  -26.08466      73.33447 
1 1 1 7   22  20 f 101.4556 47.47399 4.214171       9.663437  2.018659       6.288659  7.882828       72.66479 
1 1 1 7   22  21 o 100.5956 48.69753 0.000000       0.000000  3.582743       6.601079  ?              ?        
1 1 1 7   22  22 o 80.75848 40.52065 0.000000       0.000000  -3.088133      6.247313  ?              ?        
1 1 1 7   22  23 o 76.23614 38.05359 -8.583955      9.069505  0.5259307      6.326609  -5.555862      58.75798 
1 1 1 7   22  24 o 71.12203 35.80648 -7.281413      8.184639  -0.5375860     6.510188  -4.239899      55.15259 
1 1 1 7   22  25 o 91.80976 42.62117 6.160246       5.809092  5.080201       5.832670  2.461861       60.15293 
1 1 1 7   22  26 o 70.18397 34.76595 2.376276       5.576977  -1.389124      5.773252  5.462852       51.89702 
1 1 1 7   23  0  o 111.9002 55.50568 -6.031725      14.08940  -8.319122      15.27268  0.6023407E-01  87.92729 
1 1 1 7   23  1  o 165.6993 73.89717 12.58146       15.01557  18.41961       15.84410  -9.254578      106.3857 
1 1 1 7   23  2  o 125.5943 60.82209 -5.832087      14.64455  4.871840       14.55095  -14.47573      94.34173 
1 1 1 7   23  3  o 157.8994 68.61154 16.56417       10.92287  -1.789343      15.06827  42.09639       101.8408 
1 1 1 7   23  4  o 123.3406 60.49212 -6.927667      15.26847  -1.838936      16.35521  -8.154312      95.31129 
1 1 1 7   23  5  o 116.7537 57.70755 -8.603220      15.01279  -7.868857      15.64727  -2.375107      92.49694 
1 1 1 7   23  6  o 126.3580 57.73740 -3.903145      9.726286  9.660993       10.52042  -37.43964      91.84788 
1 1 1 7   23  7  o 133.0201 61.29213 1.702008       10.34688  7.083384       13.81014  -15.99110      95.53506 
1 1 1 7   23  8  o 159.0719 67.84012 11.66344       10.65314  8.429033       13.40936  10.01485       101.5053 
1 1 1 7   23  9  o 168.7914 64.58837 9.874035       8.677540  12.98799       10.45142  -8.379791      99.30460 
1 1 1 7   23  10 o 126.6199 61.17923 0.2526292      10.29536  0.000000       0.000000  ?              ?        
1 1 1 7   23  11 o 128.7731 59.93105 9.218177       11.06643  -3.495122      12.26974  23.87778       92.11957 
1 1 1 7   23  12 o 101.5561 49.11492 1.201404       8.720272  -9.346655      10.36907  14.13773       79.03487 
1 1 1 7   23  13 o 115.5215 54.47203 -0.6543012     9.513506  4.230418       10.92506  -12.53148      84.83401 
1 1 1 7   23  14 o 102.8860 49.83443 -9.502194      9.283465  7.477221       10.44134  -33.90704      80.79005 
1 1 1 7   23  15 f 89.19207 45.11399 -14.14373      8.648601  0.000000       0.000000  ?              ?        
1 1 1 7   23  16 o 108.8193 50.30899 6.439485       8.444288  -1.046054      7.593974  20.98988       78.40095 
1 1 1 7   23  17 o 99.72773 47.55365 1.999604       8.523719  -1.250669      7.845826  8.489807       74.26546 
1 1 1 7   23  18 o 107.6930 48.94916 -3.699117      7.418345  10.19839       6.887570  -39.26513      75.03645 
1 1 1 7   23  19 o 79.00515 39.20600 -20.85254      12.38992  -0.7405105     5.713588  -2.638069      62.82988 
1 1 1 7   23  20 o 102.7976 48.86885 13.74516       13.01265  2.714948       6.765800  11.89275       72.40452 
1 1 1 7   23  21 o 73.25536 36.91956 1.653333       10.35842  -8.053168      6.482854  17.64927       59.67397 
1 1 1 7   23  22 o 97.80743 47.78090 0.000000       0.000000  6.952273       6.760216  ?              ?        
1 1 1 7   23  23 o 82.61694 40.86503 7.082819       9.628557  0.3400482      6.643919  7.816010       60.00719 
1 1 1 7   23  24 o 77.07946 38.48188 1.240984       8.615541  1.698795       6.758068  0.1779327      56.35461 
1 1 1 7   23  25 o 70.40147 35.03932 0.9657937      6.059561  0.2886569      6.009070  0.9418793      51.95354 
1 1 1 7   24  0  o 136.1915 65.17200 14.77513       16.07993  3.701393       15.20714  13.26646       95.04717 
1 1 1 7   24  1  o 116.5505 58.99876 0.000000       0.000000  -10.53495      14.97465  ?              ?        
1 1 1 7   24  2  o 142.7807 70.09361 0.000000       0.000000  11.42370       15.09772  ?              ?        
1 1 1 7   24  3  f 124.0116 60.52351 11.27619       16.14271  -5.289130      14.46113  20.05569       91.95629 
1 1 1 7   24  4  o 125.3024 57.41856 3.653720       9.467319  5.084058       10.83811  -4.726982      87.71395 
1 1 1 7   24  5  o 132.1118 59.01419 1.943262       8.954983  11.68633       11.14425  -26.15305      90.93739 
1 1 1 7   24  6  o 120.2938 55.48552 -0.1032902     8.815312  7.071651       10.72845  -20.16672      86.72601 
1 1 1 7   24  7  o 135.8576 65.09417 -3.762920      15.31014  16.68248       16.11198  -26.76159      97.79677 
1 1 1 7   24  8  o 138.7261 66.36916 14.29619       15.65572  -1.316999      16.76917  19.34601       98.42154 
1 1 1 7   24  9  o 126.6460 59.73306 -2.390827      9.894599  22.04084       17.70705  -41.70746      96.06257 
1 1 1 7   24  10 o 115.7904 55.71446 0.3243686      10.98428  -0.4379729     12.77137  -1.913757      86.44736 
1 1 1 7   24  11 o 110.9487 53.27172 -0.2382205     10.97267  -0.4609359     10.33004  1.739159       83.13082 
1 1 1 7   24  12 o 120.9114 56.23739 -2.529517      9.659373  11.64663       10.86329  -31.53938      87.04124 
1 1 1 7   24  13 o 129.1940 58.76982 0.9440523      9.851026  13.49520       10.85369  -28.01037      88.59125 
1 1 1 7   24  14 o 121.0943 59.11072 4.688023       10.28790  0.000000       0.000000  ?              ?        
1 1 1 7   24  15 o 110.7788 54.45255 1.894441       9.204398  0.000000       0.000000  ?              ?        
1 1 1 7   24  16 o 87.51897 43.14550 0.5572242      9.003666  -6.257344      7.858015  13.85199       68.84927 
1 1 1 7   24  17 o 106.2507 50.22333 1.443312       9.121688  6.724030       8.372448  -9.717926      74.36225 
1 1 1 7   24  18 o 96.62008 45.45921 1.608812       7.863181  3.688864       6.365962  -3.428253      68.17146 
1 1 1 7   24  19 o 99.62392 47.16016 7.172304       13.62282  4.522861       5.980968  0.4777603      68.89102 
1 1 1 7   24  20 o 81.17908 40.71805 1.747627       13.29491  -2.665236      7.128665  8.956848       62.23188 
1 1 1 7   24  21 o 82.03355 41.23564 0.000000       0.000000  -0.6420684     6.620162  ?              ?        
1 1 1 7   24  22 o 86.97263 43.45795 0.000000       0.000000  6.135311       6.845359  ?              ?        
1 1 1 7   24  23 o 74.71951 37.50897 -1.403497      9.871874  1.439870       6.426371  -0.7004395     55.27821 
1 1 1 7   24  24 o 70.09339 35.52108 -2.088199      9.555647  0.7173459      6.771829  -0.6159744     52.27124 
1 1 1 7   25  0  o 100.1600 50.55530 -17.12792      15.06788  -3.381831      14.71107  -10.15760      79.51765 
1 1 1 7   25  1  f 147.5957 67.57642 16.63238       13.13065  11.55367       14.88822  10.33859       95.25545 
1 1 1 7   25  2  o 123.4770 57.99364 5.577842       9.415606  6.383077       15.10836  -2.043808      86.32325 
1 1 1 7   25  3  o 115.2648 55.25536 6.186968       9.423249  -6.286222      15.27168  11.06155       83.28503 
1 1 1 7   25  4  o 125.2483 57.29107 3.175692       9.061808  9.252769       11.24669  -13.91236      86.59802 
1 1 1 7   25  5  o 113.4842 53.59551 4.251441       9.123604  0.3724255      10.89799  5.191460       81.59214 
1 1 1 7   25  6  o 128.0195 57.90492 4.865049       9.017650  10.28958       10.94501  -11.36377      86.13202 
1 1 1 7   25  7  o 106.3615 51.96338 -2.345360      9.101033  5.100230       16.77566  -17.23964      81.62901 
1 1 1 7   25  8  f 104.9384 51.43827 -3.467102      9.092852  6.237504       17.16874  -20.10469      81.47565 
1 1 1 7   25  9  f 107.0227 52.42688 1.191112       11.03312  -2.657062      12.62294  2.809731       80.22800 
1 1 1 7   25  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   25  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   25  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   25  13 o 103.2542 50.26097 4.724559       10.29679  -1.958241      10.32984  9.524361       76.01978 
1 1 1 7   25  14 o 115.4582 54.08628 4.184221       9.887313  9.133154       9.561490  -9.014595      78.60726 
1 1 1 7   25  15 f 105.2891 52.17488 4.490359       9.065359  0.000000       0.000000  ?              ?        
1 1 1 7   25  16 o 85.22738 42.33600 0.3901009      8.982725  -4.370748      8.332556  7.274467       65.42841 
1 1 1 7   25  17 o 92.23261 45.07147 3.507335       9.348907  1.531903       7.888273  3.448410       66.80965 
1 1 1 7   25  18 o 89.45032 43.44276 10.21081       10.65743  -0.2238739     6.209245  15.05172       65.69314 
1 1 1 7   25  19 o 77.11555 38.58736 -4.530556      14.37936  -2.175082      5.932880  8.342873       60.14115 
1 1 1 7   25  20 o 80.67052 40.46848 -8.853336      12.90883  3.471824       7.092512  -5.812874      59.68723 
1 1 1 7   25  21 o 75.78372 38.51947 0.000000       0.000000  -0.5338449     6.838375  ?              ?        
1 1 1 7   25  22 o 83.66383 42.19238 0.000000       0.000000  7.488239       7.241763  ?              ?        
1 1 1 7   25  23 o 71.17625 36.06812 -5.029620      10.17495  3.739049       6.867278  -4.986305      52.45316 
1 1 1 7   26  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   26  3  o 105.1974 51.54384 0.5780636      9.498100  0.7114986      15.12029  -5.360779      78.41808 
1 1 1 7   26  4  o 122.1365 56.84219 16.66518       9.798936  -5.583666      11.26185  41.54353       84.44955 
1 1 1 7   26  5  o 117.9832 56.27121 6.811018       9.220630  6.047194       16.88516  2.098732       82.03294 
1 1 1 7   26  6  o 88.47031 44.63972 -7.980717      9.353079  -12.61415      16.75450  -10.09798      71.51873 
1 1 1 7   26  7  o 108.6269 53.07138 4.977676       9.457993  -7.926936      17.73835  6.452553       79.37802 
1 1 1 7   26  8  o 100.5201 48.70804 5.404778       9.262657  -4.911001      9.537742  16.59128       75.05933 
1 1 1 7   26  9  o 108.2920 52.74583 -4.840996      10.99306  12.68612       11.87142  -23.11720      79.36868 
1 1 1 7   26  10 o 93.66595 46.75005 11.35504       10.80882  -19.10349      11.34229  32.40817       74.06486 
1 1 1 7   26  11 o 99.29050 49.00666 1.780194       10.27856  0.8311889E-01  11.67949  0.8579330      73.32156 
1 1 1 7   26  12 o 92.90221 46.26525 -9.078680      10.19699  7.781897       11.01787  -19.17371      71.13271 
1 1 1 7   26  13 o 99.91257 50.16582 0.000000       0.000000  2.679269       9.657689  ?              ?        
1 1 1 7   26  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   26  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   26  16 o 78.93834 39.77258 -11.67378      9.248519  1.900274       8.741817  -12.76880      61.98751 
1 1 1 7   26  17 o 96.71833 46.71602 6.661167       10.08369  5.181521       7.447357  0.3845062      66.76740 
1 1 1 7   26  18 o 84.60256 41.84270 6.281544       12.98964  1.991090       6.381572  3.843468       61.20342 
1 1 1 7   26  19 o 83.26688 41.42290 6.533492       15.42414  3.306576       6.429362  0.6754303      59.54762 
1 1 1 7   26  20 o 79.13438 39.86789 6.027625       12.61156  1.536080       7.389784  2.933815       57.56152 
1 1 1 7   26  21 o 81.38177 41.20655 0.000000       0.000000  7.978959       7.334116  ?              ?        
1 1 1 7   26  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   27  5  o 101.5818 50.40003 2.195469       9.862463  -1.145908      17.22404  -1.076202      75.02720 
1 1 1 7   27  6  o 89.47865 44.64017 -2.765442      9.670321  -3.975761      10.45797  0.4174805E-01  68.97631 
1 1 1 7   27  7  o 139.7136 61.05999 11.59486       9.969573  16.48318       10.08635  -9.802429      84.33820 
1 1 1 7   27  8  o 87.90597 43.71152 5.725516       9.030190  -12.00588      9.605039  21.13150       68.42674 
1 1 1 7   27  9  f 127.3127 59.70336 12.70870       11.49775  18.09573       12.34318  -5.189583      80.86975 
1 1 1 7   27  10 o 90.04294 45.23670 -1.974790      10.63087  -1.263523      11.84288  -1.677948      68.01971 
1 1 1 7   27  11 o 90.19077 45.23270 7.501789       10.86088  -8.651090      11.03760  14.33990       68.00405 
1 1 1 7   27  12 o 81.92930 41.63341 -10.08693      10.96680  -1.652520      11.55689  -6.664436      63.81541 
1 1 1 7   27  13 o 116.5742 54.46140 16.31690       10.37579  9.652831       9.217440  6.923813       73.87130 
1 1 1 7   27  14 o 95.87407 48.02858 0.000000       0.000000  7.498586       8.610341  ?              ?        
1 1 1 7   27  15 o 81.23338 40.74272 -1.600845      9.045297  1.147499       8.740092  -2.455063      60.64867 
1 1 1 7   27  16 o 75.78896 38.41753 -2.755840      10.41415  -3.346951      8.300216  2.623116       58.05936 
1 1 1 7   27  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   27  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   27  19 f 78.13242 40.52322 8.348995       14.41649  0.000000       0.000000  ?              ?        
1 1 1 7   27  20 o 74.49551 38.60364 3.902179       12.41184  0.000000       0.000000  ?              ?        
1 1 1 7   28  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 7   28  10 o 86.57816 43.70029 -4.063913      10.99518  2.280405       11.25800  -5.032951      65.02335 
1 1 1 7   28  11 o 88.14166 45.24536 -1.312498      11.75601  0.000000       0.000000  ?              ?        
1 1 1 7   28  12 o 107.4453 51.26004 15.85810       9.885439  6.988406       9.176810  10.21230       70.04881 
1 1 1 7   28  13 o 87.47269 43.42246 -3.393085      9.048325  10.42268       9.011284  -14.66188      63.32456 
1 1 1 7   28  14 o 77.69177 39.76428 0.000000       0.000000  -3.928011      8.416681  ?              ?        
1 1 1 7   28  15 o 75.17523 38.21987 4.557775       10.29923  -7.234202      8.968188  9.089745       57.26141 
1 1 1 7   28  16 o 83.53287 41.74492 8.102264       10.53477  3.440751       7.911137  2.802856       59.10872 
1 1 1 7   28  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   -24 0  o 87.89648 40.66374 3.237195       5.568895  1.219502       4.946418  6.886787       61.97033 
1 1 1 8   -24 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   -23 0  o 87.61765 40.54648 5.606280       5.692951  -1.585804      4.825094  25.23685       64.01002 
1 1 1 8   -23 1  o 83.81149 39.32797 -1.558643      5.531692  1.999666       4.882038  -8.589684      61.63479 
1 1 1 8   -23 2  o 73.61471 36.73176 0.000000       0.000000  -5.562782      4.815683  ?              ?        
1 1 1 8   -23 3  o 84.97605 39.84411 0.8521128      5.591600  0.2454890      5.042885  3.602089       62.47537 
1 1 1 8   -23 4  o 106.5942 51.59467 4.532704       7.403763  0.000000       0.000000  ?              ?        
1 1 1 8   -22 0  o 78.80032 37.33478 -1.705514      5.248750  -0.3525296     4.569300  -0.6785126     60.21900 
1 1 1 8   -22 1  o 81.73590 38.45336 1.185538       5.329081  -2.020093      4.733601  13.69463       62.28682 
1 1 1 8   -22 2  o 90.60750 41.37043 2.884480       5.558173  -0.3987101     4.857747  14.58782       65.70840 
1 1 1 8   -22 3  o 91.30653 41.44344 0.1701942      5.304912  2.423075       4.908287  -7.046974      64.90941 
1 1 1 8   -22 4  o 94.36076 42.41102 4.408713       5.311121  -0.5635373     5.066657  19.90646       66.63226 
1 1 1 8   -22 5  o 89.44377 41.01780 -1.470063      5.405944  2.849336       4.942975  -13.65519      64.70385 
1 1 1 8   -22 6  o 122.8075 49.06704 1.924796       6.254108  8.664909       5.188896  -32.27233      73.93204 
1 1 1 8   -21 0  o 111.5169 46.13985 2.854916       6.074024  4.243074       4.625689  -4.272308      71.91986 
1 1 1 8   -21 1  o 104.3466 44.08467 4.168221       5.499075  2.000875       4.465294  13.19501       69.71800 
1 1 1 8   -21 2  o 110.2268 45.73545 0.9399958      5.401352  5.877344       4.902204  -23.43030      70.95989 
1 1 1 8   -21 3  o 83.13583 39.00962 -3.522523      5.387500  1.401692       4.840919  -13.58700      63.18019 
1 1 1 8   -21 4  o 87.32357 40.24022 -2.515454      5.308002  2.052578       4.825136  -14.45765      64.73876 
1 1 1 8   -21 5  o 76.66148 36.87552 -2.724242      5.370708  -2.348976      4.954413  1.631126       60.91371 
1 1 1 8   -21 6  o 82.30001 38.65920 -0.6295317     5.518133  -0.8763405     4.643620  5.666489       62.72216 
1 1 1 8   -21 7  o 85.04427 40.02191 0.8300719      6.084635  -1.829631      4.947768  14.10058       65.18924 
1 1 1 8   -21 8  f 94.19753 43.18798 2.263530       5.631049  -0.3446828     5.802609  8.282623       68.11328 
1 1 1 8   -20 0  o 74.70641 37.54889 -2.194232      11.12827  -14.47553      6.300073  44.26974       71.09709 
1 1 1 8   -20 1  o 110.7142 50.74355 3.996988       11.24297  0.5268624      6.415811  21.12227       82.57415 
1 1 1 8   -20 2  o 96.25291 46.87413 0.000000       0.000000  -4.267776      6.362711  ?              ?        
1 1 1 8   -20 3  o 74.54520 36.42682 -7.863198      7.959746  -3.620752      4.529878  13.71899       63.09669 
1 1 1 8   -20 4  o 115.2798 46.77212 3.006365       5.656046  4.272304       4.867419  -4.912346      73.57605 
1 1 1 8   -20 5  o 86.28146 39.86012 -1.191537      5.308540  0.1821528      4.738636  -1.698570      64.72397 
1 1 1 8   -20 6  o 93.81394 41.81218 0.3344288      5.360782  1.456569       4.583075  -0.8454437     66.97391 
1 1 1 8   -20 7  o 89.26563 41.52106 1.755250       6.047064  -2.280655      5.184202  18.72373       67.98566 
1 1 1 8   -20 8  o 95.49176 42.91042 2.224973       5.165840  -0.4419410E-02 5.454528  7.650078       68.12726 
1 1 1 8   -20 9  o 90.92862 41.46038 0.3937851      5.302519  0.4562443      5.051507  1.032532       66.45132 
1 1 1 8   -20 10 o 87.49416 43.57033 -1.476142      9.374596  -13.43038      9.390975  17.00327       71.58417 
1 1 1 8   -19 0  o 131.6672 53.07831 10.26290       7.000150  0.5994271      6.384088  48.09563       84.07610 
1 1 1 8   -19 1  o 107.8163 48.42436 -1.693528      7.108262  3.405734       6.433465  -15.43134      77.42815 
1 1 1 8   -19 2  o 101.1612 47.05787 -2.726593      7.404384  0.7682181      6.923287  -8.268967      76.34998 
1 1 1 8   -19 3  o 98.30598 45.64896 1.639879       6.934803  -3.346259      6.458554  19.17335       75.00045 
1 1 1 8   -19 4  o 86.61476 41.03909 -2.763739      5.332460  -2.165733      6.670155  -11.35055      68.87411 
1 1 1 8   -19 5  o 106.4918 48.85489 -10.12294      7.504600  9.965261       7.164003  -65.16877      79.91132 
1 1 1 8   -19 6  o 113.9153 50.81573 1.241001       7.159959  3.272908       7.434083  -7.866623      80.24416 
1 1 1 8   -19 7  o 119.5743 53.40219 1.838457       8.075582  4.752838       8.082644  -9.077728      83.06031 
1 1 1 8   -19 8  o 113.4153 50.90412 4.770039       7.208848  -0.2050563     7.695116  14.80711       79.73215 
1 1 1 8   -19 9  o 81.78556 38.60411 -3.418505      5.335864  -0.3922868     4.928343  -7.570236      63.78173 
1 1 1 8   -19 10 o 111.0717 49.74250 2.894897       5.625591  1.488835       10.84200  -7.425148      79.15527 
1 1 1 8   -19 11 o 73.87032 35.82074 0.3823292      5.223757  -7.115866      4.996625  24.16852       61.11393 
1 1 1 8   -18 0  o 114.7282 45.57486 4.217282       5.359594  1.656552       4.454313  21.58497       74.49162 
1 1 1 8   -18 1  o 115.0265 46.73135 5.072722       5.948985  0.9694003      4.701486  31.02946       76.82973 
1 1 1 8   -18 2  o 107.5811 44.93878 3.670208       5.823790  0.6991431      4.455943  25.47561       74.25450 
1 1 1 8   -18 3  o 92.33022 41.44520 1.204154       5.938390  -1.033253      4.310764  23.20714       69.95049 
1 1 1 8   -18 4  o 122.7211 48.60642 3.610581       7.217326  3.727141       4.611068  8.709373       79.28178 
1 1 1 8   -18 5  o 157.7346 55.83815 4.098848       7.249040  10.63709       6.475222  -37.68802      88.33619 
1 1 1 8   -18 6  o 130.4536 52.95185 1.132036       6.707355  7.489664       6.674324  -30.92979      83.95383 
1 1 1 8   -18 7  o 83.23939 40.17410 -11.33958      6.323105  2.345158       6.151452  -38.62194      69.31505 
1 1 1 8   -18 8  o 114.9064 50.91608 3.280884       8.454433  1.392474       6.375615  13.85066       81.72533 
1 1 1 8   -18 9  o 97.92607 44.28713 0.1072801      7.194468  0.5478535      4.934756  10.18249       72.42966 
1 1 1 8   -18 10 o 158.6132 68.35838 11.23155       8.635375  0.000000       0.000000  ?              ?        
1 1 1 8   -18 11 o 110.2913 51.71502 9.967648       8.809358  -9.338091      9.040289  46.86830       83.14381 
1 1 1 8   -18 12 o 105.3483 50.31069 2.016045       9.079172  -4.558343      9.349452  13.00397       80.01118 
1 1 1 8   -18 13 o 121.5503 59.29203 0.000000       0.000000  1.024731       10.29974  ?              ?        
1 1 1 8   -17 0  o 77.16615 36.45290 1.609736       4.969892  -6.379094      4.273025  43.18298       64.80993 
1 1 1 8   -17 1  o 256.5359 34.40018 15.41298       5.595450  16.14235       5.110304  -10.93082      73.09867 
1 1 1 8   -17 2  o 123.6152 47.15050 4.004761       5.754815  2.884097       4.511583  14.70225       77.55985 
1 1 1 8   -17 3  o 139.1491 48.51344 3.606299       5.769956  5.748315       4.682170  -11.39876      79.32574 
1 1 1 8   -17 4  o 81.67720 38.26690 0.8694387      5.717032  -4.405337      4.312088  36.57063       67.56699 
1 1 1 8   -17 5  o 92.97477 41.78114 -1.182000      6.484692  -0.2730076     4.252912  15.07018       70.89369 
1 1 1 8   -17 6  o 132.6171 47.26201 5.297388       5.255691  4.122283       4.608083  10.41168       77.11549 
1 1 1 8   -17 7  o 91.68973 40.79877 -1.200930      4.815802  1.011907       4.538354  -8.678314      67.14893 
1 1 1 8   -17 8  o 93.32083 42.62293 4.668418       7.162593  -3.194629      4.626915  50.67162       75.26429 
1 1 1 8   -17 9  o 116.7618 49.92334 0.000000       0.000000  2.464360       4.537848  ?              ?        
1 1 1 8   -17 10 o 171.5392 54.32727 10.17867       6.806435  8.661399       6.197620  8.016785       89.40157 
1 1 1 8   -17 11 o 113.7594 48.45053 1.542528       6.374617  3.663591       5.689045  -7.002045      76.85626 
1 1 1 8   -17 12 o 111.3967 48.26524 2.643562       6.329331  1.951802       5.989754  4.324409       76.82241 
1 1 1 8   -17 13 o 100.7507 45.52753 -5.068969      6.388738  5.553788       5.790154  -37.07983      73.16261 
1 1 1 8   -17 14 o 84.93765 41.43098 -8.915325      5.612737  11.89524       11.31113  -69.21400      80.44292 
1 1 1 8   -16 0  o 132.5269 45.48712 2.881137       4.404048  5.371873       4.630285  -22.08160      75.08056 
1 1 1 8   -16 1  f 131.3618 46.25275 0.7322987      4.766507  6.882985       4.600026  -47.46786      74.56689 
1 1 1 8   -16 2  o 182.7305 45.29015 4.841988       5.310385  11.42137       4.926491  -60.04419      78.50089 
1 1 1 8   -16 3  o 265.3724 33.64355 20.51426       6.117246  14.07262       4.908198  48.63046       70.84482 
1 1 1 8   -16 4  o 225.1651 38.39018 11.73501       5.668663  12.73860       4.783320  -14.83978      77.83519 
1 1 1 8   -16 5  o 204.8980 42.53112 1.675066       5.731714  16.86904       4.838383  -130.4566      70.98908 
1 1 1 8   -16 6  o 166.9867 48.32441 7.610088       6.767764  7.235031       4.488988  4.027145       84.34445 
1 1 1 8   -16 7  o 117.1837 44.91796 2.636321       4.904797  3.127561       4.298473  0.4317169      73.22951 
1 1 1 8   -16 8  o 117.3960 44.34060 5.519386       4.831893  1.488868       4.089017  33.48857       72.55125 
1 1 1 8   -16 9  o 112.0946 45.87193 4.415356       6.487984  1.376988       4.302173  29.49556       76.78741 
1 1 1 8   -16 10 o 227.1331 37.72275 15.90088       5.461563  10.91349       4.849935  42.48378       77.16500 
1 1 1 8   -16 11 o 112.1428 45.03045 1.993448       4.760039  3.440524       4.802492  -9.171478      72.51299 
1 1 1 8   -16 12 o 112.0837 45.19493 2.635852       4.786960  3.090816       4.890263  -3.200188      72.45396 
1 1 1 8   -16 13 o 98.00319 42.92434 -2.508977      4.950923  4.407620       5.008094  -34.77297      69.86472 
1 1 1 8   -16 14 o 86.58752 40.17376 -2.274154      5.598656  -0.1563607     4.810931  -2.371979      66.07275 
1 1 1 8   -16 15 o 115.0284 49.45780 -0.8706414     6.761557  6.086665       6.029043  -26.63953      77.68752 
1 1 1 8   -15 0  o 73.82932 36.63082 -10.15490      4.521318  0.000000       0.000000  ?              ?        
1 1 1 8   -15 1  o 392.8148 23.32013 38.03749       5.630377  31.10930       5.683740  41.25482       47.79267 
1 1 1 8   -15 2  o 108.6093 44.94054 2.596404       5.189733  -0.5199090E-01 4.719475  21.26040       74.56135 
1 1 1 8   -15 3  o 276.9682 31.09695 14.35766       5.533180  20.35245       5.007254  -54.80692      67.26143 
1 1 1 8   -15 4  o 138.6809 52.17671 0.000000       0.000000  3.955417       4.312666  ?              ?        
1 1 1 8   -15 5  f 241.9188 37.83084 12.79437       5.890114  14.81324       5.163936  -22.75705      77.86582 
1 1 1 8   -15 6  o 213.2688 39.31320 6.268470       5.457994  14.48697       4.655830  -80.33623      74.62414 
1 1 1 8   -15 7  o 167.4986 44.03845 3.835235       4.776530  9.979315       4.506136  -57.49306      74.88248 
1 1 1 8   -15 8  o 120.8276 45.12434 2.217352       4.833566  3.892514       4.301033  -8.850235      73.62299 
1 1 1 8   -15 9  o 87.34983 39.02673 0.7391995      4.616873  -1.560208      4.073201  18.09917       65.64635 
1 1 1 8   -15 10 o 162.8208 46.09253 10.44773       5.372979  4.894093       4.477736  47.85062       79.11091 
1 1 1 8   -15 11 o 162.4481 45.58741 8.749806       4.864888  5.591584       4.699650  28.14821       78.18991 
1 1 1 8   -15 12 o 127.0127 46.29157 2.347160       4.648080  6.102259       4.821741  -27.84258      74.86145 
1 1 1 8   -15 13 o 99.00117 42.99838 -0.6302727     5.034609  2.396799       4.789043  -13.78152      69.81873 
1 1 1 8   -15 14 o 183.3848 59.48323 11.29975       5.469686  0.000000       0.000000  ?              ?        
1 1 1 8   -15 15 f 92.95926 41.70844 0.8088013      5.242282  -0.2640578     4.771087  8.012215       68.06599 
1 1 1 8   -15 16 o 128.7211 48.85140 7.522891       5.668790  2.669745       5.119475  30.27598       77.95464 
1 1 1 8   -14 0  o 386.6383 22.78156 36.48407       5.401543  30.30766       5.478693  37.37613       46.59340 
1 1 1 8   -14 1  o 217.4233 35.77388 14.42943       4.639369  7.557884       4.675326  69.35893       70.63020 
1 1 1 8   -14 2  o 191.6811 40.02805 9.532667       4.479396  7.804369       4.743210  17.95026       75.22979 
1 1 1 8   -14 3  o 407.8458 22.46350 37.04513       5.696292  37.19771       5.626765  -1.046692      45.53741 
1 1 1 8   -14 4  x ?        ?        0.000000       0.000000  -17.33062      4.681520  ?              ?        
1 1 1 8   -14 5  o 90.60246 41.03440 -1.400067      5.758361  -1.707031      4.425118  16.87469       70.70235 
1 1 1 8   -14 6  o 501.3434 29.62062 0.000000       0.000000  57.11329       6.484715  ?              ?        
1 1 1 8   -14 7  o 265.3127 33.18653 12.16267       5.693813  19.67101       5.049387  -70.72511      71.66346 
1 1 1 8   -14 8  o 138.5846 44.76350 2.243524       4.810415  6.285090       4.053046  -30.87704      73.56635 
1 1 1 8   -14 9  o 121.9873 43.83892 2.695718       4.477730  3.784045       4.011140  -5.667114      72.00013 
1 1 1 8   -14 10 o 198.3466 39.44516 8.596718       4.898025  10.70094       4.492916  -23.16550      75.77383 
1 1 1 8   -14 11 o 125.6822 45.96309 4.092157       5.136298  3.521582       4.313571  8.292480       75.31274 
1 1 1 8   -14 12 o 159.5280 44.90771 7.153409       4.747687  6.421736       4.522686  6.551529       77.43052 
1 1 1 8   -14 13 f 74.96428 35.89355 -4.926715      4.809382  -2.272498      4.701448  -8.591103      61.74336 
1 1 1 8   -14 14 o 79.41200 37.30524 0.9198014      4.702617  -5.308464      4.658341  26.04089       63.53326 
1 1 1 8   -14 15 o 126.6613 47.25325 3.779975       5.016171  4.843369       4.945253  -6.902664      75.93623 
1 1 1 8   -14 16 o 94.08288 42.06806 -4.513043      5.226342  4.384220       4.853471  -38.25723      68.59650 
1 1 1 8   -14 17 o 109.6973 45.69913 -1.667217      5.031576  7.209010       5.288060  -49.72034      73.24561 
1 1 1 8   -13 0  f 361.5942 21.34077 31.54864       4.759472  26.81190       4.771637  30.43570       43.48034 
1 1 1 8   -13 1  o 227.8761 31.09179 11.93412       4.146017  11.91946       4.428999  1.336273       64.27619 
1 1 1 8   -13 2  o 203.6860 34.46804 11.64461       4.186043  7.654460       4.213848  42.98138       68.13810 
1 1 1 8   -13 3  o 394.1415 20.97347 32.62195       5.009061  36.77629       5.216084  -23.83386      42.47293 
1 1 1 8   -13 4  o 302.3684 25.75818 17.79963       4.759451  23.38732       4.811754  -43.34366      53.47074 
1 1 1 8   -13 5  o 143.4044 45.73300 2.644372       4.873237  6.376856       4.343814  -29.39954      75.77779 
1 1 1 8   -13 6  o 201.2922 40.67330 7.958957       5.300326  10.79342       4.584637  -28.52502      77.14371 
1 1 1 8   -13 7  o 643.1815 28.04442 0.000000       0.000000  93.07809       7.892890  ?              ?        
1 1 1 8   -13 8  o 186.8223 42.25918 5.596691       5.388150  10.26854       4.343691  -44.32013      76.51074 
1 1 1 8   -13 9  o 317.9070 26.10603 19.38776       5.241381  26.12160       4.974858  -51.62469      55.35921 
1 1 1 8   -13 10 o 231.9848 33.79911 6.204939       4.890981  18.32495       4.567548  -117.4091      68.22287 
1 1 1 8   -13 11 o 123.0149 52.45064 -0.3903244E-01 7.039225  3.031534       7.057787  -14.43739      85.85943 
1 1 1 8   -13 12 o 314.3730 27.28125 22.21101       5.547396  23.54900       5.026200  -14.15256      57.81257 
1 1 1 8   -13 13 o 152.1412 45.60182 4.135211       4.662892  8.098084       4.622078  -34.81415      76.31390 
1 1 1 8   -13 14 o 152.3211 46.99763 2.702332       4.904637  9.748940       4.861563  -58.40038      76.53847 
1 1 1 8   -13 15 o 76.90836 36.46027 1.925355       4.932230  -6.609415      4.431235  40.02029       63.90239 
1 1 1 8   -13 16 o 97.00711 42.39531 -1.012764      4.995081  2.296708       4.687514  -14.55484      68.95698 
1 1 1 8   -13 17 o 106.1509 44.89317 5.846581       5.451997  -1.071657      4.795561  40.89114       73.09650 
1 1 1 8   -13 18 o 96.73528 42.39878 -2.067118      4.938899  3.692824       4.795631  -27.62033      68.72439 
1 1 1 8   -12 0  o 103.3141 39.55534 3.510749       3.398016  -0.3604066     3.707188  29.20801       64.43765 
1 1 1 8   -12 1  o 294.6414 23.38969 18.33776       4.099256  20.65830       4.396153  -17.51624      47.75748 
1 1 1 8   -12 2  o 408.4127 19.80572 37.58875       4.930566  36.44353       5.078217  6.769531       40.03549 
1 1 1 8   -12 3  o 335.2591 21.90459 23.28905       4.407692  27.05559       4.664203  -25.38318      44.48837 
1 1 1 8   -12 4  o 125.3503 40.75832 3.979024       3.622577  3.069196       3.638586  8.894897       68.13326 
1 1 1 8   -12 5  o 133.6718 40.51477 6.325822       3.628895  1.920251       3.670804  44.76399       67.04633 
1 1 1 8   -12 6  o 67.97427 32.59421 -2.433303      4.260862  -4.866485      3.702321  18.80040       58.31180 
1 1 1 8   -12 7  o 353.3330 24.22473 28.00004       5.905634  27.83879       4.814764  -1.881042      50.44864 
1 1 1 8   -12 8  o 305.9448 28.99664 17.68464       5.975051  23.60286       5.022886  -50.01303      63.60987 
1 1 1 8   -12 9  o 185.6279 41.70829 5.404289       5.388663  9.970243       4.200618  -42.93004      75.80590 
1 1 1 8   -12 10 o 146.3680 45.16457 2.420994       5.033857  6.904616       4.120723  -34.55870      74.77234 
1 1 1 8   -12 11 o 130.6210 52.15176 2.832601       4.508057  0.000000       0.000000  ?              ?        
1 1 1 8   -12 12 o 80.52073 37.08119 -0.9020642     4.582911  -2.545582      4.026498  14.93995       63.65012 
1 1 1 8   -12 13 o 285.7517 28.98542 19.88495       5.309637  18.31511       4.854651  9.792297       61.19738 
1 1 1 8   -12 14 o 310.3779 41.20042 24.22615       5.470699  0.000000       0.000000  ?              ?        
1 1 1 8   -12 15 o 170.5513 45.40268 7.683968       4.948589  7.792897       4.829891  -1.220108      79.63133 
1 1 1 8   -12 16 o 80.04480 37.39278 -1.012390      4.706457  -2.952363      4.486773  10.47495       63.31566 
1 1 1 8   -12 17 o 169.9019 46.65124 7.029734       5.357488  9.113480       4.817457  -19.72545      80.40496 
1 1 1 8   -12 18 o 93.13863 41.63367 0.9845171      5.155403  -0.5637956     4.718386  10.44199       68.28014 
1 1 1 8   -12 19 o 178.3461 46.73466 9.100450       5.219534  9.447309       5.243980  -2.825119      82.22408 
1 1 1 8   -11 0  o 185.5865 32.63193 6.074368       3.494173  10.09507       3.759625  -46.22861      63.39886 
1 1 1 8   -11 1  o 346.0994 20.46127 28.35404       4.244058  24.59875       4.515078  25.70517       41.81016 
1 1 1 8   -11 2  o 510.3925 17.57925 60.07168       5.495483  54.94895       5.621473  23.22354       35.43464 
1 1 1 8   -11 3  o 356.4993 20.21091 31.69286       4.500612  24.85996       4.403402  44.10706       41.09623 
1 1 1 8   -11 4  o 172.1601 36.54700 8.537868       3.767850  5.293036       3.796696  36.66501       67.51815 
1 1 1 8   -11 5  o 401.3407 18.98907 40.49099       4.768786  31.12670       4.661271  53.58023       38.56046 
1 1 1 8   -11 6  o 319.9480 21.29050 24.67334       4.197051  20.92989       4.205947  27.21030       43.41182 
1 1 1 8   -11 7  o 326.4074 21.91773 27.53280       4.868505  21.13935       4.063930  42.96048       44.57010 
1 1 1 8   -11 8  o 163.9091 41.27171 4.259780       4.924633  7.568751       3.713449  -28.86644      72.92545 
1 1 1 8   -11 9  o 614.0278 26.04232 0.000000       0.000000  84.15965       6.998125  ?              ?        
1 1 1 8   -11 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   -11 11 o 366.1555 26.77461 30.24299       5.308021  30.28788       7.190515  6.930511       57.99102 
1 1 1 8   -11 12 o 125.3801 43.29477 1.795872       4.287110  4.904795       3.918523  -24.30831      70.98389 
1 1 1 8   -11 13 o 77.80851 36.04634 -1.623849      4.463999  -2.369337      3.862669  11.33112       62.11096 
1 1 1 8   -11 14 o 132.6370 45.80099 0.6705686      4.563993  7.764272       4.591513  -57.50700      73.46201 
1 1 1 8   -11 15 o 139.3622 45.38459 2.568900       4.556049  7.303776       4.447081  -39.66464      74.19550 
1 1 1 8   -11 16 o 171.8224 44.10255 5.165036       4.694843  10.41695       4.753858  -49.24162      76.65112 
1 1 1 8   -11 17 f 227.4366 37.10516 17.25848       5.344626  9.654531       4.807199  68.88370       75.09794 
1 1 1 8   -11 18 o 149.0134 47.14752 4.161623       5.055963  8.164184       4.724804  -32.00331      77.38194 
1 1 1 8   -11 19 o 186.0802 44.52805 12.82519       5.287050  7.059768       4.879556  49.64972       79.94444 
1 1 1 8   -11 20 o 111.3520 46.59538 5.989608       5.846531  0.7233507E-01  5.033577  34.33067       75.32463 
1 1 1 8   -10 0  o 240.1577 24.01373 10.19642       3.318648  16.49455       3.786474  -59.74115      49.76965 
1 1 1 8   -10 1  o 468.3897 17.34045 49.92693       4.904632  46.89726       5.164641  15.24326       35.00838 
1 1 1 8   -10 2  o 375.5291 18.96452 28.46000       4.177516  34.70018       4.670526  -37.27069      38.25667 
1 1 1 8   -10 3  o 581.3198 16.91349 75.01591       5.997049  74.13329       6.192869  3.719971       33.99919 
1 1 1 8   -10 4  o 423.7393 17.99139 44.27321       4.798492  35.40588       4.642097  47.84290       36.34095 
1 1 1 8   -10 5  o 334.9685 20.62182 27.18462       4.212154  22.50111       4.318208  32.62668       42.08000 
1 1 1 8   -10 6  o 311.6317 20.58780 21.45887       3.990493  21.68326       3.925436  -1.805054      41.73082 
1 1 1 8   -10 7  o 441.4040 17.36215 41.74004       4.748198  44.42201       4.741196  -13.96762      34.96169 
1 1 1 8   -10 8  o 227.8527 27.35543 13.13151       4.152453  10.76932       3.507225  21.93713       56.72886 
1 1 1 8   -10 9  o 283.7383 24.82508 20.95453       5.141925  16.47113       3.804882  32.29187       51.80722 
1 1 1 8   -10 10 o 122.7227 48.73690 0.000000       0.000000  2.086951       3.916462  ?              ?        
1 1 1 8   -10 11 f 204.5803 40.87121 16.69526       6.498135  6.983004       4.220043  89.27046       77.97620 
1 1 1 8   -10 12 o 254.9170 27.99802 10.16117       4.472977  18.90495       4.245061  -82.95345      61.03930 
1 1 1 8   -10 13 o 150.7187 42.17399 3.691605       4.099617  7.279403       4.095074  -35.96483      71.92543 
1 1 1 8   -10 14 o 137.3034 43.21716 4.126867       4.215305  4.912090       4.006448  -6.351166      72.54361 
1 1 1 8   -10 15 o 128.7135 45.35289 4.605460       4.718019  3.206813       4.311901  13.58875       74.73331 
1 1 1 8   -10 16 o 172.3792 43.01846 7.688213       4.633254  7.695690       4.538258  -0.2752075     77.05745 
1 1 1 8   -10 17 o 98.15843 41.82088 -0.8660111     4.474653  2.566008       4.475565  -20.39287      68.64053 
1 1 1 8   -10 18 o 105.2488 43.27652 3.254150       4.734375  0.6785535      4.368885  18.62100       70.48007 
1 1 1 8   -10 19 o 167.2903 44.51062 8.646641       4.912314  6.980891       4.512233  13.82452       78.10743 
1 1 1 8   -10 20 o 120.8254 47.08847 -0.8612505     5.504036  7.219044       4.750548  -45.63966      73.74368 
1 1 1 8   -10 21 o 97.60444 43.45198 3.165009       5.689442  -1.315208      4.988996  24.28931       71.12346 
1 1 1 8   -9  0  o 409.0682 17.14810 37.50071       4.363821  36.63871       4.319990  4.762543       34.55192 
1 1 1 8   -9  1  o 95.29021 37.35341 1.871000       3.131078  0.6693482      3.307545  8.236420       61.64875 
1 1 1 8   -9  2  o 113.9845 38.96989 3.448385       3.184978  1.950249       3.454583  12.38696       64.53455 
1 1 1 8   -9  3  o 470.4883 16.93951 50.49961       4.925148  47.35222       4.946496  15.38916       34.09792 
1 1 1 8   -9  4  o 775.6465 16.98990 135.9605       8.179442  129.5264       8.169933  18.98566       34.15031 
1 1 1 8   -9  5  o 696.5377 16.72768 105.5381       7.016274  108.5860       7.459338  -9.510803      33.65175 
1 1 1 8   -9  6  o 93.99508 37.16499 0.6788368      3.133298  1.645524       3.287438  -10.38134      61.60801 
1 1 1 8   -9  7  o 1005.881 18.68048 231.9149       11.87584  215.3430       11.44801  37.20050       37.52734 
1 1 1 8   -9  8  o 189.6782 29.33624 5.478899       3.242842  11.28416       3.447429  -67.70601      58.28241 
1 1 1 8   -9  9  o 396.7413 18.37330 36.65109       4.798135  33.44079       4.267411  17.65018       37.13547 
1 1 1 8   -9  10 o 352.6348 22.02196 19.13986       5.366446  33.37791       4.371487  -100.3157      51.29058 
1 1 1 8   -9  11 o 376.6548 22.17033 25.61146       5.703578  35.67392       4.742610  -65.32901      48.18164 
1 1 1 8   -9  12 f 345.1483 23.79590 22.90513       5.292053  29.71280       4.862360  -47.40912      49.79590 
1 1 1 8   -9  13 o 201.9277 33.90257 12.77956       4.415069  6.976367       3.837879  61.06374       66.56261 
1 1 1 8   -9  14 o 270.9545 26.05816 15.60672       4.347879  17.67237       4.304208  -18.28946      54.13915 
1 1 1 8   -9  15 o 301.9573 25.62591 17.10966       4.635310  24.80874       4.883832  -59.06113      53.71357 
1 1 1 8   -9  16 o 108.9393 43.24766 1.694539       4.504246  2.227447       4.228491  -1.383636      70.85217 
1 1 1 8   -9  17 o 120.7560 44.49688 3.804918       4.586421  2.933855       4.219294  8.802330       72.76138 
1 1 1 8   -9  18 o 80.72419 37.36834 4.057402       4.691267  -6.429374      4.202374  57.11423       65.19695 
1 1 1 8   -9  19 f 142.4129 45.26738 6.100493       4.706983  5.003918       4.310859  9.706238       75.48141 
1 1 1 8   -9  20 o 101.4224 42.40932 0.9892704      4.707166  2.078465       4.254972  -3.287460      68.78384 
1 1 1 8   -9  21 o 116.4502 47.02646 8.558473       5.727252  -0.6231996     4.869575  56.77727       76.06638 
1 1 1 8   -9  22 o 73.77148 35.83334 1.435142       5.697308  -8.352035      4.761918  39.29847       63.98352 
1 1 1 8   -8  0  o 101.0678 41.45377 1.653899       4.126365  0.4818405      4.179854  7.608116       68.51785 
1 1 1 8   -8  1  o 264.0241 29.77945 14.60914       4.858635  17.26415       4.728559  -24.66638      62.51523 
1 1 1 8   -8  2  o 340.1287 24.83170 27.25546       5.446842  25.05121       4.989428  13.45914       50.85958 
1 1 1 8   -8  3  o 109.7291 42.33300 5.743063       3.926819  -2.391543      4.250427  59.19393       67.13350 
1 1 1 8   -8  4  o 721.6093 23.06670 113.8575       10.08570  118.4011       10.55439  -13.43622      46.58870 
1 1 1 8   -8  5  o 670.2134 22.56760 99.93971       9.285310  99.69530       9.455066  1.164551       45.51728 
1 1 1 8   -8  6  o 106.4495 42.33784 3.244862       4.081415  -0.5338857     4.298602  25.62206       69.56771 
1 1 1 8   -8  7  o 217.0757 29.29856 9.259356       4.357401  11.57369       3.478585  -27.00159      62.14561 
1 1 1 8   -8  8  o 492.6305 16.26460 50.98970       4.929079  56.13826       4.998585  -23.86838      32.68966 
1 1 1 8   -8  9  o 464.5163 16.09524 48.03456       4.678879  47.19758       4.584214  4.015015       32.34147 
1 1 1 8   -8  10 o 468.6983 16.92809 49.15527       5.269448  48.05725       4.621375  4.445618       34.29697 
1 1 1 8   -8  11 o 529.6135 22.79739 0.000000       0.000000  62.38845       5.283566  ?              ?        
1 1 1 8   -8  12 o 553.8488 24.19379 0.000000       0.000000  68.26807       5.863370  ?              ?        
1 1 1 8   -8  13 o 162.6820 40.71453 8.769390       4.340901  4.230520       3.892721  48.92807       71.45512 
1 1 1 8   -8  14 o 129.6916 42.43813 4.229300       4.226027  3.462037       3.693331  10.94904       71.16383 
1 1 1 8   -8  15 o 106.1643 41.00528 1.716230       3.833561  2.051868       3.827241  -2.633827      67.53039 
1 1 1 8   -8  16 o 298.1510 25.42246 19.62712       4.592066  20.88408       4.724885  -9.289459      52.56030 
1 1 1 8   -8  17 o 180.3325 41.70246 11.28932       4.909317  5.746022       4.295764  54.20703       75.35304 
1 1 1 8   -8  18 o 274.2206 30.44284 19.56307       5.440570  16.45044       4.801696  21.64696       64.89143 
1 1 1 8   -8  19 o 107.5664 43.13506 0.9152129      4.375143  3.311767       4.386778  -16.21334      70.11108 
1 1 1 8   -8  20 o 80.81465 37.01688 1.467462       4.341160  -3.318412      4.044522  26.68958       62.57360 
1 1 1 8   -8  21 o 152.2811 48.16374 4.525846       5.299065  8.453545       4.913042  -30.73178      79.06791 
1 1 1 8   -8  22 o 181.8178 47.64164 12.78967       5.725151  7.087051       5.188311  44.56776       83.17451 
1 1 1 8   -7  0  o 177.9051 41.38825 5.751833       4.386763  9.819068       4.582057  -41.41353      74.61699 
1 1 1 8   -7  1  o 68.93088 31.38333 -1.425983      2.877625  -0.8386505     3.027390  -6.133644      53.69934 
1 1 1 8   -7  2  o 125.6432 36.17660 2.673316       2.940242  4.850535       3.004603  -25.85088      61.56225 
1 1 1 8   -7  3  o 359.6701 17.96099 28.78778       4.033373  28.80786       3.956945  -0.3399353     36.33317 
1 1 1 8   -7  4  o 76.86121 34.06773 2.048154       3.250498  -3.175336      3.200434  36.29859       57.60607 
1 1 1 8   -7  5  o 493.1461 16.15635 52.92950       4.800574  54.90678       5.082909  -8.641266      32.54562 
1 1 1 8   -7  6  o 314.9631 19.12578 25.37823       3.641728  18.43174       3.801719  51.82025       39.69218 
1 1 1 8   -7  7  o 237.6560 23.14136 14.06995       3.205454  10.89272       3.559048  32.88057       49.11823 
1 1 1 8   -7  8  o 322.3092 22.29464 23.82741       3.905674  21.78004       5.244640  17.82712       48.31273 
1 1 1 8   -7  9  o 417.7729 22.38277 41.35506       5.920072  36.29956       5.648283  27.43774       45.21519 
1 1 1 8   -7  10 f 347.5717 24.49833 31.71146       5.677126  23.31937       4.903709  53.99014       49.77852 
1 1 1 8   -7  11 o 80.97643 37.89559 -2.165673      6.699412  -3.486477      3.883969  40.66237       70.56918 
1 1 1 8   -7  12 f 292.9887 38.15314 2.550218       8.208927  28.62221       5.892427  -190.5015      78.43447 
1 1 1 8   -7  13 o 353.4541 39.72236 0.000000       0.000000  28.65319       6.051950  ?              ?        
1 1 1 8   -7  14 f 80.82797 39.08113 -8.072141      6.444714  -5.211140      5.582084  0.7182007      69.38610 
1 1 1 8   -7  15 o 513.2380 21.62010 59.10635       8.407339  58.47516       5.949119  -3.347107      46.50155 
1 1 1 8   -7  16 o 323.5981 23.63795 18.64194       4.519083  29.46246       4.932460  -76.44177      49.08572 
1 1 1 8   -7  17 o 259.7715 27.37638 15.04341       4.289534  15.99222       4.403134  -8.051788      57.23443 
1 1 1 8   -7  18 o 241.0060 30.86076 14.50463       4.775289  13.07059       4.281065  10.31647       65.17333 
1 1 1 8   -7  19 o 303.8050 27.62298 25.53181       5.542123  18.53604       4.828976  49.16580       58.17154 
1 1 1 8   -7  20 o 162.4639 43.18325 3.843981       4.720234  9.494276       4.181077  -53.22095      73.08249 
1 1 1 8   -7  21 o 133.3617 47.03290 3.640799       5.001872  5.924991       4.696087  -16.00406      76.13436 
1 1 1 8   -7  22 o 125.3450 46.58766 2.523073       5.190330  5.507302       4.539399  -18.11991      74.54287 
1 1 1 8   -7  23 o 79.33337 37.07135 1.137780       5.170324  -3.342801      4.065355  28.37392       63.62360 
1 1 1 8   -6  0  o 103.1654 40.94459 2.205028       3.904610  0.8610576      3.909132  10.21602       67.45761 
1 1 1 8   -6  1  o 103.1231 40.59864 4.045745       3.836164  -0.7845320     3.789989  38.51068       66.25512 
1 1 1 8   -6  2  o 149.0585 42.61348 5.664363       4.147816  5.031447       4.127635  6.373642       73.23555 
1 1 1 8   -6  3  o 467.0725 21.24234 51.02997       6.332247  46.72340       5.961576  20.21149       43.02501 
1 1 1 8   -6  4  o 474.9746 20.95382 54.54348       6.317725  46.64816       6.010859  37.47348       42.44358 
1 1 1 8   -6  5  f 598.3308 21.63041 78.24960       7.944652  81.84245       8.087388  -13.44647      43.76143 
1 1 1 8   -6  6  o 96.10216 40.51702 1.490931       4.138315  -0.4704839     4.115654  13.32055       67.33797 
1 1 1 8   -6  7  o 332.5646 25.71957 26.08690       5.272088  23.69816       5.257263  16.78574       52.74156 
1 1 1 8   -6  8  o 475.7027 21.05918 59.41199       6.426690  42.27129       5.993760  81.98605       42.74757 
1 1 1 8   -6  9  o 460.8055 21.07657 48.87340       6.010431  45.23141       6.007020  18.19110       42.53100 
1 1 1 8   -6  10 o 477.8077 21.46868 48.03815       6.175560  53.36132       6.533423  -25.07761      43.26554 
1 1 1 8   -6  11 o 637.9268 21.41630 86.07670       8.290422  94.39481       8.646457  -29.42041      43.09414 
1 1 1 8   -6  12 o 430.6051 32.12666 41.73043       6.024276  0.000000       0.000000  ?              ?        
1 1 1 8   -6  13 f 406.4320 22.58017 32.86123       5.591831  40.89852       5.752575  -45.38242      45.88947 
1 1 1 8   -6  14 o 498.9230 22.77882 57.56201       7.191960  53.25008       6.880889  19.31958       45.99563 
1 1 1 8   -6  15 f 266.9554 29.11549 14.23161       4.297922  19.06724       5.364143  -38.47923      60.44666 
1 1 1 8   -6  16 o 143.5321 45.18789 5.286598       3.712440  3.527883       6.124537  0.2234802      77.89260 
1 1 1 8   -6  17 o 213.1900 52.82729 9.063797       6.378888  15.06001       7.709219  -46.39226      94.88081 
1 1 1 8   -6  18 o 147.2805 57.82461 9.504138       7.522592  -1.063637      7.926276  52.81067       92.60523 
1 1 1 8   -6  19 o 225.6122 64.09092 16.59480       9.306688  13.51394       9.473489  19.36288       109.3251 
1 1 1 8   -6  20 o 152.4785 59.52893 1.424224       7.906486  11.14628       8.394876  -48.85593      95.17250 
1 1 1 8   -6  21 o 114.5025 48.27987 0.000000       0.000000  2.120109       4.144243  ?              ?        
1 1 1 8   -6  22 o 132.5507 47.55784 1.884292       5.936746  6.394360       4.360720  -25.47791      75.90868 
1 1 1 8   -6  23 o 163.3475 45.48034 10.55126       5.787910  6.247624       4.160725  29.33058       80.03625 
1 1 1 8   -6  24 o 89.55379 39.53033 6.476546       4.786366  -3.541749      3.935889  61.83447       66.62798 
1 1 1 8   -5  0  o 77.39902 32.76632 0.3635539      2.670344  -0.1582601E-01 2.766746  1.645828       54.74170 
1 1 1 8   -5  1  o 108.4182 35.24440 1.986566       2.593077  3.369316       2.855403  -18.24561      59.00196 
1 1 1 8   -5  2  o 98.89058 34.25813 2.137149       2.559449  1.929843       2.564416  2.279427       56.85759 
1 1 1 8   -5  3  o 308.0033 17.26151 24.76683       3.411114  17.85726       3.171558  51.11935       35.07573 
1 1 1 8   -5  4  o 474.0408 14.47717 47.42947       4.202529  52.01764       4.303528  -22.01187      29.11227 
1 1 1 8   -5  5  o 168.7907 27.28938 4.657109       2.722096  8.571803       2.799249  -51.02780      54.00914 
1 1 1 8   -5  6  o 211.8507 32.00757 0.000000       0.000000  10.41441       2.881629  ?              ?        
1 1 1 8   -5  7  o 345.6515 16.44070 26.66454       3.518390  26.37441       3.511669  1.918365       33.18784 
1 1 1 8   -5  8  o 224.6151 21.50173 11.11556       2.839613  11.58317       3.095695  -3.915131      44.35355 
1 1 1 8   -5  9  o 110.3004 35.02348 3.123144       2.562358  2.213091       2.843309  8.108047       58.78108 
1 1 1 8   -5  10 o 504.7803 14.41078 53.99070       4.434208  58.44821       4.585114  -20.04422      28.92084 
1 1 1 8   -5  11 o 600.8856 14.72850 77.41164       5.596077  81.37457       5.389599  -15.28705      29.63207 
1 1 1 8   -5  12 o 971.8567 24.87714 209.5042       10.59612  0.000000       0.000000  ?              ?        
1 1 1 8   -5  13 o 348.4861 18.30537 22.49224       4.327639  30.01156       3.645923  -51.77753      39.01343 
1 1 1 8   -5  14 o 408.6400 18.15045 39.78846       5.651262  35.58923       3.963962  20.42548       38.31738 
1 1 1 8   -5  15 o 267.4219 22.17155 16.33497       3.844259  15.64141       3.473739  5.066467       45.41600 
1 1 1 8   -5  16 o 73.97382 34.28829 0.4890766      4.526975  -3.475451      3.265421  39.81218       62.01244 
1 1 1 8   -5  17 o 195.9609 38.78686 10.54463       4.759212  7.921180       4.362507  26.64499       74.08935 
1 1 1 8   -5  18 o 205.4781 36.55623 6.561001       4.522881  13.44780       4.455389  -71.01146      70.42545 
1 1 1 8   -5  19 o 167.4708 43.20870 10.50666       4.807994  4.325310       4.275762  60.22217       74.82693 
1 1 1 8   -5  20 o 222.0125 34.95457 15.29465       5.325834  10.00712       4.186862  44.12399       72.11606 
1 1 1 8   -5  21 o 87.91214 39.18428 1.277919       4.900849  -1.392367      3.917288  23.85778       66.23120 
1 1 1 8   -5  22 o 113.1991 50.26770 1.112811       4.988202  0.000000       0.000000  ?              ?        
1 1 1 8   -5  23 o 148.1574 69.40203 5.136619       11.31560  0.000000       0.000000  ?              ?        
1 1 1 8   -5  24 o 134.2492 64.74411 1.775791       11.39927  0.000000       0.000000  ?              ?        
1 1 1 8   -4  0  o 389.8875 15.13836 34.54843       3.687056  32.66928       3.622472  10.95728       30.45633 
1 1 1 8   -4  1  o 335.5998 15.45105 22.90806       3.094514  27.21319       3.334877  -29.01700      31.12107 
1 1 1 8   -4  2  o 382.1895 14.81112 32.10929       3.514576  32.39413       3.495055  -1.739471      29.78491 
1 1 1 8   -4  3  o 290.9002 16.86454 19.01734       3.033059  18.48533       3.027315  4.210236       34.07331 
1 1 1 8   -4  4  o 320.5157 15.29238 23.80081       3.040532  21.64689       3.022942  15.43027       30.83978 
1 1 1 8   -4  5  o 173.2067 25.31046 7.091267       2.662344  6.581133       2.616566  6.629883       51.51194 
1 1 1 8   -4  6  o 537.8145 13.74199 66.82891       4.659815  61.09113       4.505699  24.18011       27.60262 
1 1 1 8   -4  7  o 184.3241 23.52818 8.847868       2.639642  6.593026       2.618423  28.65315       48.75961 
1 1 1 8   -4  8  o 285.3405 17.33777 16.56079       3.086242  19.60864       3.023423  -24.95819      35.35670 
1 1 1 8   -4  9  o 150.8461 29.36248 5.645951       2.606866  4.920085       2.692519  9.991058       56.22754 
1 1 1 8   -4  10 o 405.1074 14.80805 38.88435       3.724629  33.60696       3.705345  29.86856       29.84186 
1 1 1 8   -4  11 f 433.9732 20.48606 0.000000       0.000000  41.71223       3.888614  ?              ?        
1 1 1 8   -4  12 o 566.1422 16.23137 73.05270       4.898540  65.65536       7.070315  32.61023       35.61044 
1 1 1 8   -4  13 o 151.6799 30.54894 5.671979       2.984476  5.027346       2.603973  8.905609       58.05759 
1 1 1 8   -4  14 o 204.4457 25.29992 8.034978       3.530316  10.33968       2.856118  -28.65459      54.37259 
1 1 1 8   -4  15 o 724.2864 17.53986 102.1252       8.859237  124.8614       7.167773  -75.32800      37.09337 
1 1 1 8   -4  16 o 688.3166 15.74975 110.2287       7.016186  99.57166       6.466910  34.72034       31.65874 
1 1 1 8   -4  17 o 222.7114 25.20989 9.348361       3.387256  13.14203       3.457089  -40.03188      52.65448 
1 1 1 8   -4  18 o 399.0536 17.95242 36.73079       4.444927  34.11145       4.420343  15.07404       36.28307 
1 1 1 8   -4  19 o 214.9514 28.14923 11.59838       3.878736  9.957851       3.480155  15.64923       58.59911 
1 1 1 8   -4  20 o 297.5840 23.13135 19.08196       4.382970  21.21062       4.103757  -18.65378      48.24426 
1 1 1 8   -4  21 o 130.9520 43.65933 2.912613       4.661462  5.232091       3.786206  -15.98644      71.84894 
1 1 1 8   -4  22 o 71.32169 33.81980 2.270409       4.890570  -5.118653      3.487357  49.77187       62.20095 
1 1 1 8   -4  23 o 263.1255 30.00950 17.98414       5.505086  16.25191       4.326570  0.4696655      66.67300 
1 1 1 8   -4  24 o 124.4021 44.05537 2.297333       5.026057  5.387427       3.751499  -19.40775      70.75470 
1 1 1 8   -4  25 o 68.94229 33.12350 0.4689301      5.169629  -4.549237      3.535703  34.70740       59.74914 
1 1 1 8   -3  0  o 196.9358 21.33613 8.222754       2.564665  9.154552       2.565149  -11.16151      44.01334 
1 1 1 8   -3  1  o 386.4486 14.23039 35.39976       3.475375  30.64981       3.339703  27.98679       28.60603 
1 1 1 8   -3  2  o 439.4328 13.79301 45.73134       3.860142  39.68637       3.658323  31.23767       27.69059 
1 1 1 8   -3  3  o 314.9957 14.95247 22.41789       2.914734  21.39002       2.911962  7.495758       30.10482 
1 1 1 8   -3  4  f 182.2236 23.08512 9.621041       2.593090  5.461375       2.510899  52.97073       47.94381 
1 1 1 8   -3  5  o 293.8527 15.99375 16.94435       2.848904  21.43735       2.963264  -35.01050      32.38079 
1 1 1 8   -3  6  o 870.7936 15.52014 167.2018       8.362871  167.4704       8.404356  -0.6493530     31.17258 
1 1 1 8   -3  7  o 896.1786 15.85621 178.6267       8.846137  176.3403       8.783702  5.743469       31.86887 
1 1 1 8   -3  8  o 616.7228 13.47358 81.95920       5.103506  85.99363       5.207121  -14.81281      27.07785 
1 1 1 8   -3  9  o 194.0137 21.88761 6.748357       2.558599  10.33189       2.618984  -43.41681      45.92746 
1 1 1 8   -3  10 o 251.5879 17.24036 15.43271       2.598802  12.55509       2.756910  27.12334       35.54894 
1 1 1 8   -3  11 o 609.3030 19.33388 0.000000       0.000000  82.20688       5.160640  ?              ?        
1 1 1 8   -3  12 o 397.2497 14.05181 32.56567       3.371847  37.21920       3.549434  -26.61359      28.22078 
1 1 1 8   -3  13 o 541.0408 13.41604 61.36869       4.436278  67.59991       4.572148  -26.21606      26.93566 
1 1 1 8   -3  14 o 252.1488 19.38513 13.73684       3.302443  14.39714       2.781771  -7.313599      40.27820 
1 1 1 8   -3  15 o 387.7953 20.84345 0.000000       0.000000  33.40178       3.532439  ?              ?        
1 1 1 8   -3  16 o 328.7361 17.49228 23.66142       3.710297  24.15241       3.416307  -3.976227      35.45924 
1 1 1 8   -3  17 o 552.5479 15.51722 66.08971       5.319039  68.68600       5.307715  -10.78046      31.17469 
1 1 1 8   -3  18 o 257.4461 22.80704 16.52786       3.595550  13.22994       3.613762  30.25943       47.27419 
1 1 1 8   -3  19 f 590.5009 15.94214 78.36047       5.898617  76.39964       5.771966  7.325989       32.10322 
1 1 1 8   -3  20 o 194.7437 30.18689 11.20168       3.782485  7.148061       3.320042  44.47401       61.07713 
1 1 1 8   -3  21 f 280.6548 26.10025 22.81775       5.131886  15.52680       4.043820  52.51572       54.84468 
1 1 1 8   -3  22 o 103.2670 40.86609 5.947526       4.434236  -0.4949607     3.494240  55.91370       67.63938 
1 1 1 8   -3  23 o 129.2908 40.29666 6.040974       4.007532  3.334977       3.264672  27.49734       68.05477 
1 1 1 8   -3  24 o 60.24670 29.36384 -0.1520592     4.297739  -5.639917      3.094727  36.82409       54.82415 
1 1 1 8   -3  25 o 78.12867 35.18444 -5.527751      4.268094  2.547771       3.155136  -29.73852      57.32918 
1 1 1 8   -2  0  o 177.4485 22.83792 9.006303       2.477828  5.232751       2.434077  49.40056       47.35782 
1 1 1 8   -2  1  o 339.7312 14.31812 24.24627       2.948499  26.75566       3.076946  -16.77832      28.78236 
1 1 1 8   -2  2  o 128.9281 28.95916 5.278391       2.290318  2.474846       2.229551  40.72022       51.85996 
1 1 1 8   -2  3  o 243.9165 17.06666 11.48876       2.536707  14.93805       2.596338  -32.66815      34.81770 
1 1 1 8   -2  4  o 343.6808 13.96871 24.40247       2.925193  27.77032       3.020741  -22.35135      28.08500 
1 1 1 8   -2  5  o 408.1345 12.98717 36.46044       3.252851  36.90997       3.315716  -2.457245      26.06410 
1 1 1 8   -2  6  o 433.4665 13.12358 42.09801       3.543121  40.69963       3.506587  7.344452       26.33796 
1 1 1 8   -2  7  o 556.6196 12.92395 69.17314       4.490342  67.31185       4.435003  7.586548       25.95136 
1 1 1 8   -2  8  o 422.7121 13.23167 37.31453       3.373149  41.79430       3.565431  -23.96475      26.57978 
1 1 1 8   -2  9  o 316.6579 14.65263 22.90122       2.875951  21.50481       2.864891  10.12488       29.54588 
1 1 1 8   -2  10 o 466.9243 12.95279 52.36320       3.880656  44.44497       3.628185  38.35211       26.02311 
1 1 1 8   -2  11 o 271.9588 16.29622 15.05005       2.655642  17.94601       2.825423  -24.16672      32.97225 
1 1 1 8   -2  12 o 581.0051 12.96108 76.84604       4.730717  71.87504       4.614059  19.44623       26.01559 
1 1 1 8   -2  13 o 325.6402 14.32154 21.59550       2.836011  25.29935       2.938505  -25.96393      28.82668 
1 1 1 8   -2  14 o 336.6409 14.02058 23.89346       2.925530  26.06102       2.917372  -14.78409      28.21046 
1 1 1 8   -2  15 f 270.3109 22.87102 0.000000       0.000000  16.30715       2.686328  ?              ?        
1 1 1 8   -2  16 o 196.1245 24.20180 7.507306       3.487733  9.282585       2.511138  -24.25188      53.49239 
1 1 1 8   -2  17 o 197.2247 24.15510 9.504615       2.933305  8.060262       2.855427  16.96738       49.82606 
1 1 1 8   -2  18 o 446.6606 15.66348 42.50085       4.240198  45.84612       4.432620  -16.85965      31.50355 
1 1 1 8   -2  19 o 549.2836 15.42552 65.92727       5.259562  67.66569       5.242009  -7.297180      31.03574 
1 1 1 8   -2  20 o 121.0456 39.14161 3.871123       3.520657  3.058084       3.203598  10.34843       65.56841 
1 1 1 8   -2  21 o 288.9985 21.60661 19.87306       4.052240  18.23610       3.667342  11.13385       44.53040 
1 1 1 8   -2  22 o 91.37917 38.09034 -1.229609      3.867753  2.563624       3.355417  -20.95633      62.07671 
1 1 1 8   -2  23 o 74.57623 33.46836 -1.676832      3.564592  0.2656942      2.951837  -4.017143      55.96919 
1 1 1 8   -2  24 o 264.9489 23.96378 14.67837       4.175084  18.03374       3.666288  -36.85463      52.90710 
1 1 1 8   -2  25 o 90.95078 36.59953 -0.2904630     3.566562  2.800780       2.875287  -17.46980      58.79263 
1 1 1 8   -2  26 o 117.9784 37.86418 3.100435       3.419411  4.362376       2.919028  -11.90944      62.56258 
1 1 1 8   -1  0  o 725.7054 14.17989 115.9461       6.369690  115.8721       6.397122  0.2575684      28.44865 
1 1 1 8   -1  1  f 754.1201 14.24418 123.3630       6.596647  126.9577       6.732173  -10.78601      28.57069 
1 1 1 8   -1  2  o 157.3001 22.84572 6.197257       2.164859  4.963405       2.163283  18.00266       46.35939 
1 1 1 8   -1  3  o 532.6722 12.60411 60.84608       4.113544  63.97765       4.217911  -13.36115      25.28765 
1 1 1 8   -1  4  o 904.1488 15.50612 178.2916       8.659838  181.5870       8.734231  -8.268799      31.06750 
1 1 1 8   -1  5  o 421.9701 12.45335 39.15219       3.273623  39.20643       3.239018  -0.3237000     24.97760 
1 1 1 8   -1  6  o 563.0332 12.65728 67.47501       4.383267  72.03680       4.459101  -18.45935      25.39834 
1 1 1 8   -1  7  o 739.2451 13.73975 118.6880       6.269877  121.9632       6.331831  -10.06958      27.56600 
1 1 1 8   -1  8  o 919.8916 15.61858 187.5567       8.942247  185.8893       8.882843  4.070068       31.33292 
1 1 1 8   -1  9  o 214.2134 18.13054 8.814253       2.332322  11.79859       2.444853  -32.19638      37.29414 
1 1 1 8   -1  10 o 101.4650 32.11714 2.376020       2.273846  2.264985       2.256690  1.583351       54.01927 
1 1 1 8   -1  11 o 531.8497 17.56363 0.000000       0.000000  62.77140       4.091743  ?              ?        
1 1 1 8   -1  12 o 447.7034 12.61168 45.64024       3.534842  42.78085       3.464269  14.52664       25.31563 
1 1 1 8   -1  13 o 526.6490 12.47900 61.55690       4.059308  60.45538       4.094482  4.816223       25.04928 
1 1 1 8   -1  14 o 381.4055 12.71047 28.91497       2.934648  35.44166       3.076398  -38.99579      25.54709 
1 1 1 8   -1  15 o 141.3117 26.24318 5.596163       2.474199  3.886702       2.024412  25.31644       50.80764 
1 1 1 8   -1  16 o 568.5253 18.06031 0.000000       0.000000  71.48286       4.498057  ?              ?        
1 1 1 8   -1  17 o 612.2820 13.70199 82.29022       5.317508  82.84259       5.097781  -2.317383      27.54227 
1 1 1 8   -1  18 o 479.5736 14.50496 48.62452       4.259794  52.95295       4.362259  -20.53555      29.13627 
1 1 1 8   -1  19 o 412.2211 15.89543 40.31546       4.165064  35.20028       3.956919  28.07031       32.01538 
1 1 1 8   -1  20 o 230.2083 22.10330 15.14581       3.302568  9.421537       2.960727  56.82286       46.15209 
1 1 1 8   -1  21 o 92.02609 35.29927 1.167811       2.927769  1.772783       2.731872  -3.457809      58.04205 
1 1 1 8   -1  22 o 357.9017 19.44296 28.10555       4.610293  29.74747       4.045617  -14.01529      40.35162 
1 1 1 8   -1  23 o 189.0954 30.74026 10.54601       3.540635  6.908696       3.426368  42.08250       62.07707 
1 1 1 8   -1  24 f 147.3457 36.24490 6.405672       3.476082  5.041582       3.130283  14.61748       65.32565 
1 1 1 8   -1  25 o 66.31203 30.99605 -7.273724      3.416756  2.808234       2.959321  -46.85741      52.81582 
1 1 1 8   -1  26 o 88.18621 36.63271 -2.663636      4.490092  2.748948       2.729997  -17.86183      58.62714 
1 1 1 8   0   0  o 566.6432 13.28232 72.73383       4.773742  68.69626       4.570381  16.11359       26.65898 
1 1 1 8   0   1  o 292.0826 14.87105 18.04971       2.672641  19.60601       2.698632  -12.21677      29.95427 
1 1 1 8   0   2  f 647.7380 13.23363 88.99025       5.192913  95.82632       5.451167  -23.92218      26.54066 
1 1 1 8   0   3  o 275.5164 14.89300 15.60949       2.483513  17.98469       2.591706  -19.67563      30.01166 
1 1 1 8   0   4  o 618.0894 12.69997 84.75729       4.901443  83.20394       4.837861  5.700378       25.46610 
1 1 1 8   0   5  o 662.7927 12.88869 94.09164       5.220479  99.20590       5.381403  -17.51660      25.84253 
1 1 1 8   0   6  o 359.9533 12.61523 28.04634       2.802846  29.00036       2.822166  -6.050476      25.31898 
1 1 1 8   0   7  o 442.3067 12.03821 43.06830       3.332760  43.02477       3.267950  0.1680603      24.14346 
1 1 1 8   0   8  o 606.0593 12.50939 78.75903       4.646693  82.99252       4.761235  -15.85748      25.09841 
1 1 1 8   0   9  o 342.4330 12.74686 27.49795       2.770915  24.38059       2.639735  20.66122       25.61615 
1 1 1 8   0   10 o 143.4949 24.64775 4.055878       2.121145  5.393964       2.108795  -20.39014      48.53409 
1 1 1 8   0   11 o 152.8611 23.41186 5.708618       2.116522  4.947055       2.183851  11.55756       47.37352 
1 1 1 8   0   12 o 227.9270 16.23105 14.34997       2.335739  9.000695       2.227802  54.31091       33.71798 
1 1 1 8   0   13 o 178.5477 19.77597 8.286431       2.121602  5.917538       2.187187  31.60472       41.47460 
1 1 1 8   0   14 o 490.4703 11.80054 51.52740       3.547546  54.31619       3.634643  -12.92636      23.67870 
1 1 1 8   0   15 o 797.8105 14.02054 137.5313       6.864758  142.7222       7.015177  -14.98816      28.10465 
1 1 1 8   0   16 o 629.8740 17.71340 0.000000       0.000000  87.64503       4.889061  ?              ?        
1 1 1 8   0   17 f 272.9685 16.38874 17.23324       3.364762  16.13799       2.398781  7.171753       34.81290 
1 1 1 8   0   18 o 122.0703 39.97673 3.284682       2.467504  0.000000       0.000000  ?              ?        
1 1 1 8   0   19 o 352.6425 15.85549 31.99244       3.561644  23.53078       3.365743  54.74838       32.11789 
1 1 1 8   0   20 o 281.7711 18.60721 19.49262       3.392296  16.24259       3.096188  25.76886       37.80371 
1 1 1 8   0   21 o 435.9525 14.94940 39.92402       3.992383  44.62898       4.082714  -24.56534      30.16235 
1 1 1 8   0   22 o 175.6631 26.51567 7.825770       2.842482  6.682044       2.758325  14.42105       54.28225 
1 1 1 8   0   23 o 128.4894 33.51915 4.889046       2.763337  3.407965       2.639299  18.88621       58.91640 
1 1 1 8   0   24 o 84.49217 33.47779 -0.7147369E-03 2.679632  2.344443       2.541390  -19.75014      54.41198 
1 1 1 8   0   25 f 252.5674 21.13887 14.60841       3.576851  15.09709       3.049050  -10.34157      45.38782 
1 1 1 8   0   26 o 104.8125 33.59890 1.920071       2.535441  3.735719       2.414424  -20.47482      55.43921 
1 1 1 8   0   27 o 125.4870 30.94148 3.373736       2.527211  4.756357       2.278331  -19.44150      55.16968 
1 1 1 8   1   0  o 85.47629 32.41623 4.302919       2.417789  -1.694973      2.315367  65.88542       50.49152 
1 1 1 8   1   1  o 1039.593 17.32244 237.6140       11.15966  238.5336       11.18221  -2.002563      34.72157 
1 1 1 8   1   2  o 455.1205 12.84830 47.78611       3.698298  43.51657       3.553459  21.32919       25.76298 
1 1 1 8   1   3  o 927.5504 15.77942 191.7934       9.186460  186.9271       8.975503  11.83789       31.61212 
1 1 1 8   1   4  o 1064.482 17.39022 246.7906       11.39716  252.2747       11.57104  -11.64075      34.84945 
1 1 1 8   1   5  f 241.8841 15.02525 13.75498       2.283894  12.14113       2.204878  15.26152       30.33828 
1 1 1 8   1   6  o 885.5321 15.02165 171.4839       8.218422  173.6034       8.285185  -5.419006      30.09189 
1 1 1 8   1   7  f 250.6852 14.32783 14.03193       2.228749  13.71529       2.208931  2.879318       28.88302 
1 1 1 8   1   8  o 97.18336 28.95098 1.595353       1.855367  2.691493       1.896338  -16.49486      49.05569 
1 1 1 8   1   9  o 137.5427 23.98183 4.042654       2.001580  4.587952       1.943290  -8.686508      47.11958 
1 1 1 8   1   10 o 114.5688 28.55105 1.807592       2.012650  4.340237       2.030935  -37.84678      49.52049 
1 1 1 8   1   11 o 249.0872 14.35462 12.67333       2.205807  14.83489       2.211393  -20.03568      29.10140 
1 1 1 8   1   12 o 670.0969 12.53312 97.57607       5.165667  100.5415       5.254885  -9.989563      25.16840 
1 1 1 8   1   13 o 291.7172 15.20731 18.82074       2.317646  18.85995       3.540740  2.271179       33.68544 
1 1 1 8   1   14 o 91.58736 29.04701 1.059000       1.919367  2.524040       1.791362  -19.18276      48.30816 
1 1 1 8   1   15 o 1041.568 16.72295 239.9491       10.83482  238.1913       10.77503  3.801636       33.52616 
1 1 1 8   1   16 f 1293.326 20.17856 367.3878       16.12558  372.0872       16.25276  -8.156738      40.51596 
1 1 1 8   1   17 o 290.4652 23.39042 18.86253       2.954938  0.000000       0.000000  ?              ?        
1 1 1 8   1   18 o 527.8054 12.24006 59.22895       4.049111  63.31712       3.967147  -17.81689      24.60754 
1 1 1 8   1   19 o 729.4150 20.05493 117.9703       6.410393  0.000000       0.000000  ?              ?        
1 1 1 8   1   20 o 199.2769 21.89917 7.803104       2.738171  9.992369       2.592812  -26.72314      46.01673 
1 1 1 8   1   21 o 422.7823 14.10540 42.88692       3.844654  36.81899       3.559972  32.19839       28.40538 
1 1 1 8   1   22 o 205.2979 20.58039 9.641340       2.692528  9.526948       2.490509  0.8645630E-01  42.84385 
1 1 1 8   1   23 o 295.4272 15.85886 19.80020       2.935123  19.45134       2.857703  2.337708       32.27069 
1 1 1 8   1   24 o 263.0841 18.52854 17.67023       3.386929  14.54474       2.727828  22.97047       38.44832 
1 1 1 8   1   25 o 97.21482 31.99963 2.098981       2.276140  2.553679       2.195478  -5.028664      53.11377 
1 1 1 8   1   26 o 50.92189 24.03133 -0.7306879     2.148097  -1.726406      1.849812  11.77140       41.85266 
1 1 1 8   1   27 f 136.8543 25.28744 5.696562       2.316542  3.936119       1.884925  22.95621       50.07069 
1 1 1 8   2   0  o 85.63425 32.79978 2.114117       2.462514  0.1862853      2.411260  20.86629       54.04124 
1 1 1 8   2   1  o 415.9263 13.49937 38.40641       3.478566  37.76165       3.478088  3.548126       27.08825 
1 1 1 8   2   2  o 363.3856 13.65335 27.22687       3.017077  31.06504       3.130467  -24.07468      27.42492 
1 1 1 8   2   3  o 668.7022 13.24569 98.09541       5.500712  98.49326       5.488194  -1.367798      26.55890 
1 1 1 8   2   4  o 157.0471 23.17056 5.345144       2.213986  5.767679       2.165894  -6.261063      46.91668 
1 1 1 8   2   5  f 597.3524 12.47233 78.26926       4.635215  78.56535       4.608149  -1.150024      25.00947 
1 1 1 8   2   6  o 317.0151 12.98492 21.96586       2.642198  22.27096       2.463376  -2.387360      26.16055 
1 1 1 8   2   7  f 375.9896 17.30453 31.21004       2.846235  0.000000       0.000000  ?              ?        
1 1 1 8   2   8  o 225.9021 15.20659 10.79888       2.133737  11.76259       2.103608  -9.929184      30.81182 
1 1 1 8   2   9  o 272.4318 13.53914 16.50423       2.312410  16.26638       2.250603  1.910400       27.26424 
1 1 1 8   2   10 o 721.3286 13.02325 116.4166       5.886347  112.9497       5.770035  10.84766       26.13834 
1 1 1 8   2   11 o 199.5618 16.40356 9.060027       1.991102  8.676087       2.035069  4.639511       33.48807 
1 1 1 8   2   12 o 339.1070 11.93461 24.22440       2.469083  26.61794       2.545867  -16.04199      23.99075 
1 1 1 8   2   13 o 261.3745 18.44048 15.21921       2.100584  0.000000       0.000000  ?              ?        
1 1 1 8   2   14 o 298.6735 12.09670 17.82081       2.163667  21.76935       2.317351  -30.04782      24.32001 
1 1 1 8   2   15 o 291.3345 11.81976 20.55482       2.257591  17.19213       2.024666  26.09201       23.74429 
1 1 1 8   2   16 o 975.6706 15.63368 210.6622       9.507792  208.7844       9.416772  4.312805       31.33839 
1 1 1 8   2   17 o 82.07502 31.43354 0.000000       0.000000  1.049260       1.582215  ?              ?        
1 1 1 8   2   18 o 415.1824 12.39234 37.40339       3.850131  38.29148       2.780765  -6.319489      26.34719 
1 1 1 8   2   19 o 332.9607 12.86438 26.33759       2.731722  22.76274       2.578948  24.37292       25.85489 
1 1 1 8   2   20 o 531.1151 12.44618 62.89219       4.199537  61.52499       4.008226  5.613892       25.02046 
1 1 1 8   2   21 o 308.5272 14.14777 20.47899       2.772610  21.66702       2.633694  -9.226013      28.63288 
1 1 1 8   2   22 o 129.3178 28.00461 5.176060       2.376576  3.098262       2.027446  30.71101       51.84615 
1 1 1 8   2   23 o 387.9669 12.47550 34.79535       3.071010  32.27493       2.930893  14.42163       25.16546 
1 1 1 8   2   24 o 243.8963 14.41407 14.16440       2.209908  12.58790       2.134149  14.61320       29.33875 
1 1 1 8   2   25 o 213.3085 14.28821 12.17320       1.961828  8.651290       1.807104  37.42329       29.38718 
1 1 1 8   2   26 o 122.4282 22.65278 3.936543       1.781695  3.368538       1.555305  8.263824       44.56908 
1 1 1 8   2   27 o 99.58411 24.72575 2.747774       1.576887  2.251278       1.469514  8.424484       44.30947 
1 1 1 8   2   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   3   0  o 416.2693 14.04018 38.82590       3.592824  37.52717       3.648363  7.210175       28.20606 
1 1 1 8   3   1  o 212.5885 19.68586 9.719938       2.511591  10.42438       2.625287  -7.462921      40.25285 
1 1 1 8   3   2  o 565.0781 13.03487 66.94218       4.450325  73.83257       4.697938  -27.66736      26.15118 
1 1 1 8   3   3  o 759.5948 14.15966 133.1109       6.871290  121.3300       6.488961  35.14044       28.39418 
1 1 1 8   3   4  o 509.3261 12.48748 56.81163       3.949249  57.20769       3.941491  -1.783234      25.05439 
1 1 1 8   3   5  o 333.2481 13.16495 26.22020       2.788166  22.85118       2.649373  23.00760       26.44039 
1 1 1 8   3   6  o 1109.713 17.94983 261.9294       12.01189  281.7921       12.73207  -40.28320      35.98850 
1 1 1 8   3   7  o 230.7429 15.69692 10.50607       2.223084  13.06496       2.243852  -25.64381      31.94273 
1 1 1 8   3   8  o 215.4196 16.38621 10.56901       2.203058  10.01069       2.144617  5.890472       33.24631 
1 1 1 8   3   9  o 371.7968 11.98627 30.72710       2.808674  30.16801       2.715331  3.340546       24.06085 
1 1 1 8   3   10 o 141.4294 22.34101 3.585580       1.876493  5.550127       1.914069  -30.99856      44.57778 
1 1 1 8   3   11 o 638.9357 12.16442 91.29217       4.884963  88.73128       4.760078  8.991821       24.42270 
1 1 1 8   3   12 o 267.9384 15.70604 15.33574       3.331213  16.21092       2.203439  -10.90857      35.31886 
1 1 1 8   3   13 o 510.4963 15.72585 57.70545       3.517141  0.000000       0.000000  ?              ?        
1 1 1 8   3   14 o 411.9676 10.74498 39.43330       2.762128  35.33105       2.725357  22.73459       21.56674 
1 1 1 8   3   15 o 516.0662 10.46139 58.04476       3.362383  59.00737       3.335715  -4.282837      20.97771 
1 1 1 8   3   16 o 381.7737 10.10148 31.34090       2.441826  32.69701       2.341626  -8.206604      20.28830 
1 1 1 8   3   17 f 557.2223 15.01463 68.47812       3.666473  0.000000       0.000000  ?              ?        
1 1 1 8   3   18 o 455.5445 10.14071 49.28581       3.125916  42.98999       2.661077  30.96964       20.43286 
1 1 1 8   3   19 o 380.6898 10.85248 31.09372       2.554418  32.71733       2.566013  -9.744812      21.77313 
1 1 1 8   3   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   3   21 o 337.0190 11.27179 26.44088       2.414469  23.82796       2.296301  17.53864       22.64939 
1 1 1 8   3   22 o 213.3031 12.64885 10.40725       1.747926  9.851099       1.594844  5.515640       25.64629 
1 1 1 8   3   23 o 280.5116 9.630992 18.62327       1.734274  16.33310       1.618472  18.38132       19.37238 
1 1 1 8   3   24 o 245.3827 9.063517 12.48421       1.398377  14.12208       1.357037  -15.49252      18.32765 
1 1 1 8   3   25 f 238.5381 9.827407 12.44558       1.820593  12.73338       1.242092  -5.464478      21.52401 
1 1 1 8   3   26 o 191.0887 10.25231 8.010099       1.067720  8.412256       1.432964  -2.659561      21.63099 
1 1 1 8   3   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   3   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   4   0  o 198.4671 22.35381 8.114514       2.707363  9.559651       2.701128  -17.20955      46.23775 
1 1 1 8   4   1  o 115.8236 32.70444 1.898338       2.487597  4.194918       2.418424  -29.44220      55.46649 
1 1 1 8   4   2  o 598.5590 13.31777 82.52470       5.073834  75.41640       4.825264  26.93201       26.71966 
1 1 1 8   4   3  o 726.5206 14.03095 116.7784       6.351357  115.4141       6.295830  4.251038       28.13902 
1 1 1 8   4   4  o 1107.246 18.04661 271.3125       12.44081  268.8954       12.35023  4.914673       36.17514 
1 1 1 8   4   5  o 453.5326 12.40494 47.35185       3.557539  43.29089       3.419881  20.35773       24.87004 
1 1 1 8   4   6  o 1026.484 16.88643 229.4429       10.66772  234.7040       10.83919  -11.57391      33.84245 
1 1 1 8   4   7  o 746.1555 13.63323 120.4543       6.260498  124.5178       6.361137  -12.36841      27.33788 
1 1 1 8   4   8  o 660.8622 12.82490 95.82867       5.261789  96.28521       5.253265  -1.585876      25.72098 
1 1 1 8   4   9  o 181.0265 18.57763 9.646331       2.104758  5.181295       2.011597  57.79240       39.48021 
1 1 1 8   4   10 o 205.9245 16.39495 8.886969       2.049090  9.990069       2.106084  -12.31306      33.37934 
1 1 1 8   4   11 o 402.5455 11.45856 36.76246       2.893262  34.72866       2.824721  11.46478       23.00082 
1 1 1 8   4   12 o 425.4984 15.61199 0.000000       0.000000  40.12618       2.908844  ?              ?        
1 1 1 8   4   13 o 203.8109 15.61600 11.26624       1.959103  7.221340       1.959426  46.56567       32.82926 
1 1 1 8   4   14 o 299.2578 11.40112 20.30529       2.109056  19.16927       2.116132  8.713867       22.91636 
1 1 1 8   4   15 o 548.2124 10.71165 66.46724       3.681761  65.67862       3.604825  3.224487       21.47953 
1 1 1 8   4   16 o 428.4817 9.755883 41.27400       2.664586  39.49277       2.527029  9.392059       19.57422 
1 1 1 8   4   17 o 117.5905 20.10948 1.862534       1.478104  4.222410       1.357900  -42.67532      38.93152 
1 1 1 8   4   18 o 70.31457 23.85971 1.379016       1.311476  0.7335377      1.180846  12.83778       39.77345 
1 1 1 8   4   19 o 250.1542 10.85484 13.47736       1.699656  14.09142       1.661785  -5.689911      21.84157 
1 1 1 8   4   20 o 685.8163 15.69757 106.6609       6.788349  101.2744       6.573163  17.65570       31.56614 
1 1 1 8   4   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   4   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   4   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   4   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   4   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   4   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   4   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   4   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   0  o 364.6471 16.02971 30.33867       3.721626  28.57531       3.520785  10.76205       32.29171 
1 1 1 8   5   1  o 182.2854 24.47663 9.118883       2.714094  5.930372       2.681841  40.53078       50.38486 
1 1 1 8   5   2  o 246.6209 18.14665 16.79443       2.865303  10.64053       2.659593  57.40092       37.41638 
1 1 1 8   5   3  o 647.8113 13.71267 92.38035       5.528235  92.25372       5.492830  0.4179077      27.51109 
1 1 1 8   5   4  o 124.2601 30.58818 1.447862       2.315462  5.789358       2.368801  -59.69829      51.67262 
1 1 1 8   5   5  o 484.8114 12.81073 50.88958       3.828728  52.55175       3.870219  -7.806152      25.68564 
1 1 1 8   5   6  o 425.3753 14.77006 41.07184       4.828702  39.28450       3.348574  8.040192       31.48294 
1 1 1 8   5   7  o 687.9785 13.37549 106.5479       5.807032  101.8338       5.614290  15.50269       26.82803 
1 1 1 8   5   8  o 194.3173 18.71401 7.381424       2.271283  9.363988       2.186918  -24.29080      38.91907 
1 1 1 8   5   9  o 231.8915 15.91687 11.84971       2.318553  11.97279       2.235157  -1.409668      32.25904 
1 1 1 8   5   10 o 296.4526 13.61970 20.32099       2.532602  18.54947       2.464609  13.61191       27.42128 
1 1 1 8   5   11 o 642.9581 12.43347 88.46565       4.895664  93.94859       5.024794  -19.32159      24.96528 
1 1 1 8   5   12 o 443.2850 16.11863 0.000000       0.000000  43.58197       3.128878  ?              ?        
1 1 1 8   5   13 o 465.1461 11.18269 47.30138       3.182726  48.07172       3.272444  -3.652924      22.46920 
1 1 1 8   5   14 o 687.8220 14.20662 113.8868       7.830976  100.2979       5.121378  40.61035       30.48121 
1 1 1 8   5   15 o 383.8745 10.19540 30.56049       2.378063  34.42002       2.476180  -22.87976      20.44304 
1 1 1 8   5   16 o 272.0132 10.55481 16.73911       1.789621  15.84402       1.765798  7.511780       21.19205 
1 1 1 8   5   17 o 247.0178 15.03463 13.49470       1.621289  0.000000       0.000000  ?              ?        
1 1 1 8   5   18 o 413.7434 8.660205 39.19694       2.291464  36.21406       2.159727  16.33981       17.36774 
1 1 1 8   5   19 o 376.3304 8.290793 32.58881       1.954277  29.70370       1.917154  17.48303       16.63199 
1 1 1 8   5   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   0  o 399.4612 15.87195 35.10669       3.931557  35.53130       3.918766  -2.467163      31.96196 
1 1 1 8   6   1  o 181.9898 25.85252 4.600585       2.794099  10.63735       2.880953  -74.89362      52.49082 
1 1 1 8   6   2  o 908.8143 16.38900 181.2886       9.183517  183.1460       9.296317  -4.539612      32.91355 
1 1 1 8   6   3  o 653.5745 16.22210 93.76093       5.730961  94.90334       7.958001  -1.402710      34.35834 
1 1 1 8   6   4  o 572.6309 19.34469 72.47067       4.851922  0.000000       0.000000  ?              ?        
1 1 1 8   6   5  o 646.4178 13.58307 94.31362       5.529012  89.68708       5.367820  16.22180       27.25207 
1 1 1 8   6   6  o 636.3420 13.36370 93.11919       5.420177  85.45220       5.141144  27.28375       26.81212 
1 1 1 8   6   7  o 543.1500 12.77840 64.69460       4.312464  65.09556       4.298350  -1.701111      25.64631 
1 1 1 8   6   8  o 516.5419 12.62886 59.23899       4.083260  58.19499       4.010830  4.551758       25.35389 
1 1 1 8   6   9  o 943.6767 15.98334 193.7962       9.298944  199.3085       9.414859  -13.21228      32.06631 
1 1 1 8   6   10 o 283.0520 14.04535 16.95844       2.473915  18.45133       2.443218  -12.20187      28.34965 
1 1 1 8   6   11 o 233.1144 15.69242 10.93264       2.275968  13.17812       2.236534  -22.49414      32.05669 
1 1 1 8   6   12 o 104.0699 29.94103 2.142051       2.103158  2.852748       1.975731  -9.151123      51.26939 
1 1 1 8   6   13 o 230.5740 15.25610 12.76810       2.185533  10.88645       2.154416  18.82875       31.00619 
1 1 1 8   6   14 o 83.02299 29.33218 1.943280       1.837955  0.7330916      1.933292  14.25305       48.32953 
1 1 1 8   6   15 o 197.7855 16.45069 7.898131       2.002352  9.475800       1.997829  -18.63792      33.69495 
1 1 1 8   6   16 o 364.1743 10.53660 29.83159       2.428992  28.56595       2.329651  7.854889       21.13158 
1 1 1 8   6   17 o 331.5057 10.66964 24.88220       2.192167  23.48927       2.190326  9.615387       21.41393 
1 1 1 8   6   18 f 56.39890 23.94456 0.5142601      1.471815  -0.4289009     1.444750  11.30230       40.14753 
1 1 1 8   6   19 o 118.5514 17.93851 3.475231       1.453350  2.991773       1.153863  8.385406       36.60682 
1 1 1 8   6   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   6   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   0  o 216.7625 39.22141 10.74812       5.256857  11.45547       4.919341  -7.953766      77.15879 
1 1 1 8   7   1  o 134.6852 46.57035 2.631149       5.019599  5.049476       4.491152  -15.86453      76.78276 
1 1 1 8   7   2  o 338.0605 17.12193 24.52040       3.541539  26.16695       3.617426  -11.06906      34.55194 
1 1 1 8   7   3  o 683.6250 14.81862 105.5415       6.365894  100.6644       6.205348  16.12488       29.76619 
1 1 1 8   7   4  o 325.2173 16.27462 22.42183       3.263262  24.36544       3.282406  -13.72412      32.82290 
1 1 1 8   7   5  o 63.63867 29.08384 0.8772429      2.580940  -3.182765      2.547877  29.10307       50.28460 
1 1 1 8   7   6  f 245.4635 18.99792 11.28067       2.866142  15.51277       2.874355  -40.25249      39.26281 
1 1 1 8   7   7  o 163.5669 27.41838 6.665421       2.721870  5.598338       2.646929  14.28712       54.33071 
1 1 1 8   7   8  o 322.9749 21.88973 0.000000       0.000000  23.24478       3.082740  ?              ?        
1 1 1 8   7   9  o 161.4088 26.74834 4.868951       2.586034  7.070210       2.582907  -30.12254      53.00167 
1 1 1 8   7   10 o 161.5395 25.97411 7.447577       2.559268  4.617988       2.472100  38.74004       51.65257 
1 1 1 8   7   11 o 197.3092 21.15825 10.77284       2.557611  6.801689       2.540998  47.65720       44.77469 
1 1 1 8   7   12 o 248.3943 17.20224 13.06075       2.569840  14.52911       2.703691  -13.28845      34.95942 
1 1 1 8   7   13 o 297.6069 14.31838 19.46062       2.565081  19.80135       2.712243  -2.293396      28.91032 
1 1 1 8   7   14 o 82.68666 30.25925 1.960090       1.969589  0.4816626      2.085708  16.01408       49.69517 
1 1 1 8   7   15 o 538.2701 11.66552 64.99917       3.910365  62.48981       3.880051  10.62982       23.40694 
1 1 1 8   7   16 o 161.4796 21.61061 4.071565       2.103521  7.693998       2.117390  -51.77466      44.61742 
1 1 1 8   7   17 o 291.0059 13.12819 20.49458       2.415337  17.01265       2.315351  27.30612       26.44447 
1 1 1 8   7   18 o 321.9969 11.74378 23.86058       2.358735  21.87542       2.325203  14.08185       23.59944 
1 1 1 8   7   19 o 111.8680 22.21963 2.188998       1.475898  3.592036       1.499452  -25.46868      41.72771 
1 1 1 8   7   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   7   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   8   0  f 273.0620 31.20909 15.89948       4.973686  18.51368       5.440805  -20.51486      65.11063 
1 1 1 8   8   1  o 340.3124 26.93654 27.78933       5.477072  24.39388       5.818466  24.90775       55.94820 
1 1 1 8   8   2  f 135.3942 46.18560 1.142479       4.511838  7.423453       4.803792  -54.41578      75.18546 
1 1 1 8   8   3  o 626.6513 15.03777 87.19386       5.838386  86.22253       5.852746  3.574951       30.24170 
1 1 1 8   8   4  o 321.6750 17.44448 22.94383       3.430589  22.95648       3.506405  0.7162476E-01  35.24515 
1 1 1 8   8   5  o 544.4226 14.40964 67.36312       4.916313  63.53007       4.809635  15.97266       28.93578 
1 1 1 8   8   6  o 462.8641 14.46555 47.31874       4.123893  47.25786       4.173168  0.3725281      29.06432 
1 1 1 8   8   7  o 683.7596 14.69374 99.03336       6.106394  107.5841       6.366442  -28.25616      29.52162 
1 1 1 8   8   8  o 209.9684 22.38693 12.36545       2.883399  7.504491       2.858616  54.76085       47.48122 
1 1 1 8   8   9  o 714.8890 14.74079 112.4317       6.546385  113.2970       6.527570  -2.803345      29.63046 
1 1 1 8   8   10 o 441.3357 14.20869 44.21922       3.823025  41.85480       3.949752  12.54227       28.63128 
1 1 1 8   8   11 o 328.8421 15.37125 22.65010       3.015887  25.54693       3.251075  -19.67767      31.01950 
1 1 1 8   8   12 o 315.9417 16.33784 22.53899       3.204457  21.84230       3.177907  5.018219       33.02674 
1 1 1 8   8   13 o 147.4312 31.74204 4.657440       2.797866  5.593125       2.836530  -12.33975      59.05908 
1 1 1 8   8   14 f 505.7731 13.52639 57.90186       4.099765  54.73548       4.395642  14.76605       27.29190 
1 1 1 8   8   15 o 290.3369 15.95867 19.40549       2.804544  17.81875       2.925555  12.82608       32.32214 
1 1 1 8   8   16 o 522.9612 18.41402 60.46683       4.217365  0.000000       0.000000  ?              ?        
1 1 1 8   8   17 o 54.04751 25.29382 0.3048902      2.196323  -3.001094      2.046022  26.52115       44.80225 
1 1 1 8   8   18 o 102.2891 29.65932 2.985266       2.070821  1.902007       1.919911  16.86343       50.70210 
1 1 1 8   8   19 o 343.0772 11.73319 27.84027       2.585363  24.31213       2.410525  23.26187       23.56628 
1 1 1 8   8   20 o 123.2197 21.98408 4.168213       1.696465  2.895703       1.550774  22.02896       42.73572 
1 1 1 8   8   21 o 218.7411 13.47428 10.60787       1.286542  0.000000       0.000000  ?              ?        
1 1 1 8   8   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   8   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   8   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   8   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   8   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   8   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   9   0  o 250.5288 26.02891 16.61662       3.891989  11.46381       4.087630  49.77446       55.43727 
1 1 1 8   9   1  o 373.4439 27.70108 31.01476       6.236944  32.10231       6.514944  -5.774567      56.84487 
1 1 1 8   9   2  o 534.7589 24.83571 0.000000       0.000000  64.23766       5.809626  ?              ?        
1 1 1 8   9   3  o 186.1071 41.68760 10.66363       4.638911  5.910169       4.748862  47.45892       75.55112 
1 1 1 8   9   4  o 592.7960 21.63951 76.39684       7.840889  80.50940       8.051304  -15.44659      43.73916 
1 1 1 8   9   5  o 227.9707 24.77237 12.52140       3.459465  11.00727       3.434520  15.64288       51.40962 
1 1 1 8   9   6  o 445.5785 16.40661 42.51665       4.467454  45.53354       4.589140  -15.30856      33.04290 
1 1 1 8   9   7  o 302.8354 20.96046 21.29054       3.905824  19.70469       3.920686  12.23813       42.70525 
1 1 1 8   9   8  f 454.9684 17.10171 44.24478       4.731643  47.74002       4.909178  -17.26453      34.47192 
1 1 1 8   9   9  o 362.5138 18.70827 25.80407       4.098207  33.07729       4.294237  -45.78818      37.99594 
1 1 1 8   9   10 o 80.04095 35.55032 -2.936748      3.449746  1.819332       3.616246  -32.89924      60.29608 
1 1 1 8   9   11 o 84.98314 36.71177 1.551572       3.586049  -1.546513      3.492757  22.40310       61.44270 
1 1 1 8   9   12 o 370.3548 18.86094 30.58577       4.257301  30.58343       4.383089  0.3825378      38.20314 
1 1 1 8   9   13 o 143.0039 37.64725 6.736318       3.286389  2.752678       3.492521  43.86205       64.37500 
1 1 1 8   9   14 o 477.8342 21.38246 50.76505       4.470278  0.000000       0.000000  ?              ?        
1 1 1 8   9   15 o 114.6799 36.02052 1.709338       2.772065  4.339579       2.944651  -31.70530      60.05901 
1 1 1 8   9   16 o 154.1675 30.47314 5.759064       2.681181  5.165830       2.961485  7.747742       58.13926 
1 1 1 8   9   17 o 162.3364 26.57280 5.720401       2.632869  6.303533       2.536619  -8.198746      53.02952 
1 1 1 8   9   18 o 228.3527 18.75222 12.58351       2.745060  10.82000       2.533463  17.33781       38.26230 
1 1 1 8   9   19 o 240.2377 25.72848 13.05842       2.668994  0.000000       0.000000  ?              ?        
1 1 1 8   9   20 o 142.1182 23.04095 5.916949       2.098670  3.598346       1.848581  35.49040       45.60038 
1 1 1 8   9   21 o 235.4696 11.53218 11.83206       1.725295  12.63723       1.636877  -8.074158      23.32508 
1 1 1 8   9   22 o 87.41971 18.73471 2.548742       1.020718  1.092894       0.9535128 32.11946       33.81791 
1 1 1 8   9   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   9   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   9   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   9   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   9   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   10  0  o 591.6914 18.17984 79.33700       6.720057  75.44970       6.610851  14.91479       36.54496 
1 1 1 8   10  1  o 104.1395 42.48737 -1.649373      4.286611  3.994811       4.382615  -40.78725      69.91355 
1 1 1 8   10  2  o 235.0434 40.24016 11.21134       5.450687  15.19095       5.886970  -35.64214      79.92751 
1 1 1 8   10  3  o 253.1907 37.91361 18.57566       5.854828  11.71681       5.692056  61.17151       77.35430 
1 1 1 8   10  4  o 86.58106 38.72087 -5.561579      4.274176  3.570945       4.252203  -52.27926      65.41575 
1 1 1 8   10  5  o 312.8630 39.45364 29.45668       7.809496  17.54256       7.201530  86.67038       83.07613 
1 1 1 8   10  6  o 222.9968 52.57260 10.80763       7.370836  13.92041       6.953316  -25.38077      95.39120 
1 1 1 8   10  7  o 170.2052 38.59678 8.448713       4.133698  5.663808       3.843973  30.45107       70.54646 
1 1 1 8   10  8  o 158.1695 40.05743 6.064629       3.903585  6.033166       3.964728  0.2330475      71.23559 
1 1 1 8   10  9  o 135.4583 42.00672 4.035987       3.919882  4.660374       3.870983  -5.851547      70.80744 
1 1 1 8   10  10 o 243.9588 28.15619 15.55657       4.136323  11.63327       4.231012  38.86021       59.41345 
1 1 1 8   10  11 o 265.5092 25.44499 15.80399       4.038085  16.20947       4.249144  -2.623138      52.73654 
1 1 1 8   10  12 o 156.0927 38.23243 4.052538       3.624011  7.713620       3.722152  -40.92470      67.48647 
1 1 1 8   10  13 o 282.1245 22.75534 19.51440       3.868503  15.99440       4.033886  29.85507       47.14544 
1 1 1 8   10  14 o 290.7892 30.76069 19.15679       3.864107  0.000000       0.000000  ?              ?        
1 1 1 8   10  15 o 507.2220 15.79083 56.91564       4.837717  56.62408       5.097205  1.651978       31.77101 
1 1 1 8   10  16 o 208.6976 28.16322 10.84175       3.397758  8.733459       3.731725  24.62425       58.47049 
1 1 1 8   10  17 o 347.9532 25.25118 0.000000       0.000000  27.12945       3.827705  ?              ?        
1 1 1 8   10  18 o 87.83704 34.57608 1.860050       2.694759  0.2065679      2.841511  13.37386       56.95979 
1 1 1 8   10  19 f 438.3712 19.88292 42.76100       3.813215  0.000000       0.000000  ?              ?        
1 1 1 8   10  20 o 207.7808 19.78887 8.332912       2.430942  11.22936       2.619262  -32.00179      40.82164 
1 1 1 8   10  21 o 77.59861 30.61015 2.280457       2.677384  0.1312622      1.874102  33.97633       52.22741 
1 1 1 8   10  22 o 190.8503 14.60832 7.324759       1.673292  9.031817       1.762827  -20.45546      29.83783 
1 1 1 8   10  23 o 178.7259 13.59397 6.611933       1.786693  7.436958       1.312381  -13.48804      30.06563 
1 1 1 8   10  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   10  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   10  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   10  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   10  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   11  0  o 471.2986 19.91557 48.02055       5.714587  50.28960       5.908922  -10.79596      40.09637 
1 1 1 8   11  1  o 442.4941 28.21055 43.75256       5.446942  0.000000       0.000000  ?              ?        
1 1 1 8   11  2  o 291.7752 26.70416 18.09477       4.791418  20.14700       4.768191  -16.64441      55.02279 
1 1 1 8   11  3  o 248.0505 30.03412 10.54789       4.532869  17.47616       4.521885  -66.05165      63.37906 
1 1 1 8   11  4  o 271.7881 33.43898 21.43014       5.927606  13.64820       5.184646  63.77025       69.61443 
1 1 1 8   11  5  o 313.4354 33.46533 24.24569       6.217855  20.81869       6.612626  28.31201       70.86906 
1 1 1 8   11  6  o 197.6337 40.21469 10.28747       4.658097  8.363573       4.873691  19.89223       76.30042 
1 1 1 8   11  7  o 315.6724 44.74442 22.07837       8.114367  26.14022       8.985092  -24.91113      93.72802 
1 1 1 8   11  8  o 388.6211 36.53094 36.16327       8.173106  33.76585       9.351985  21.78412       78.32980 
1 1 1 8   11  9  o 307.3908 24.79825 23.41794       4.582019  19.08598       4.802659  34.24390       51.75450 
1 1 1 8   11  10 o 319.5762 23.45693 23.67540       4.455522  22.18867       4.798980  12.21652       48.32324 
1 1 1 8   11  11 o 267.1613 26.07534 16.50673       4.141818  15.77351       4.402970  7.640808       54.19558 
1 1 1 8   11  12 o 391.5013 19.76075 35.81498       4.729170  32.27658       4.839758  21.14661       40.07591 
1 1 1 8   11  13 o 273.8483 25.04987 16.55414       4.212351  17.12019       4.204133  -4.892609      51.48478 
1 1 1 8   11  14 o 367.4071 28.00912 30.28661       4.479841  0.000000       0.000000  ?              ?        
1 1 1 8   11  15 o 207.3481 31.34758 9.058159       3.816653  10.68480       4.002485  -17.39310      63.49592 
1 1 1 8   11  16 o 568.1773 23.43962 0.000000       0.000000  71.85908       5.829109  ?              ?        
1 1 1 8   11  17 f 116.9395 40.85099 0.3092890      3.618834  5.507432       3.675373  -48.70346      66.05990 
1 1 1 8   11  18 o 262.3333 32.05737 0.000000       0.000000  15.81979       3.612235  ?              ?        
1 1 1 8   11  19 o 929.3737 24.12409 193.1114       9.825968  0.000000       0.000000  ?              ?        
1 1 1 8   11  20 o 282.9020 19.53900 17.36855       3.378287  18.39470       3.438170  -8.247833      39.74259 
1 1 1 8   11  21 o 166.0863 25.53814 7.525580       2.663503  5.394380       2.444516  28.14354       51.59212 
1 1 1 8   11  22 o 269.6625 14.96894 15.87535       2.605866  16.51765       2.395647  -6.328094      30.52398 
1 1 1 8   11  23 o 111.7895 28.73724 3.911993       1.664481  0.7470746      2.699532  34.81194       49.29234 
1 1 1 8   11  24 o 85.97772 25.00946 1.298636       1.459876  2.207579       1.371604  -14.58049      42.43615 
1 1 1 8   11  25 o 64.34409 22.31179 -0.2182368     1.065062  2.125431       1.109955  -40.25118      35.00333 
1 1 1 8   11  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   11  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   11  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   11  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   12  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   12  1  o 453.7457 21.20471 46.04224       5.841059  45.09212       6.069378  5.158508       42.79794 
1 1 1 8   12  2  o 325.2118 25.91263 21.01302       5.025746  26.57245       5.358869  -39.04453      52.98332 
1 1 1 8   12  3  o 250.5987 31.38137 13.53898       4.646906  15.04382       4.906947  -13.27852      64.85592 
1 1 1 8   12  4  o 118.0563 45.08371 4.863510       4.457947  -0.4973462     4.743755  37.15363       73.30025 
1 1 1 8   12  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   12  6  o 132.2614 48.21734 5.550715       5.047295  1.374308       5.227349  29.58904       78.81969 
1 1 1 8   12  7  o 408.2333 31.08594 43.50629       7.621836  31.61537       8.019037  70.83932       66.01762 
1 1 1 8   12  8  o 122.3653 48.32440 0.2389699      5.250466  4.669448       5.600755  -31.94168      79.48859 
1 1 1 8   12  9  o 469.1281 33.08364 50.16908       9.052517  50.14405       10.17792  4.672363       68.69909 
1 1 1 8   12  10 o 241.8890 55.21870 10.06349       7.446189  20.84472       8.970032  -79.44214      100.2089 
1 1 1 8   12  11 o 322.9034 27.89530 18.41692       5.190902  30.21366       5.952561  -82.57361      57.94202 
1 1 1 8   12  12 o 260.6735 33.66930 14.51155       5.149320  16.72750       5.502933  -18.66498      69.70775 
1 1 1 8   12  13 o 99.07906 44.92606 3.329688       7.146873  -4.969771      5.230209  59.75504       80.07944 
1 1 1 8   12  14 o 237.5618 52.26879 13.56691       5.298384  0.000000       0.000000  ?              ?        
1 1 1 8   12  15 o 116.3093 46.99978 -2.980158      5.232237  6.210139       5.256552  -59.85667      76.37908 
1 1 1 8   12  16 o 177.4066 48.18324 7.020052       5.607563  8.083345       5.283897  -8.578018      83.91117 
1 1 1 8   12  17 o 98.60687 43.54653 -3.322661      5.263896  1.834238       5.182981  -26.25014      73.17939 
1 1 1 8   12  18 o 164.9894 49.80773 2.037320       6.502789  9.195851       4.885242  -48.32178      81.84653 
1 1 1 8   12  19 o 450.3159 19.24978 43.98194       5.514450  46.10643       5.226767  -11.57608      39.00059 
1 1 1 8   12  20 o 376.5272 18.39741 33.73652       4.377350  29.61023       4.196438  24.77972       37.23084 
1 1 1 8   12  21 o 169.6019 29.74483 10.08793       3.623760  5.014422       2.636916  59.18121       58.40826 
1 1 1 8   12  22 o 268.8472 18.79766 20.54334       4.087292  14.59062       2.615000  42.23616       40.14008 
1 1 1 8   12  23 o 64.80396 29.23606 -0.6097494     2.152574  -0.6697465     3.061143  -13.29070      50.40368 
1 1 1 8   12  24 o 154.4949 25.99134 6.026255       2.994771  5.684556       2.062937  -3.070190      54.27233 
1 1 1 8   12  25 o 63.97105 26.29873 1.632867       1.669659  -0.6492049     1.683184  24.40490       42.93496 
1 1 1 8   12  26 o 81.27978 25.89608 0.2289951      1.476460  3.032612       1.464871  -42.12360      41.12582 
1 1 1 8   12  27 o 244.0287 8.190081 14.79630       1.272623  11.90635       1.206105  26.81471       16.57007 
1 1 1 8   12  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   12  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   13  0  o 349.0246 27.56656 28.53075       5.717477  25.85087       6.145541  19.14746       56.85935 
1 1 1 8   13  1  o 171.7289 46.66064 3.994269       4.903593  10.42694       5.319749  -60.40543      79.44319 
1 1 1 8   13  2  o 439.0285 22.73289 48.56242       6.151921  36.89587       6.188145  61.54285       46.45200 
1 1 1 8   13  3  o 595.5991 29.43486 0.000000       0.000000  79.15166       7.666017  ?              ?        
1 1 1 8   13  4  o 597.4136 30.41216 0.000000       0.000000  79.80512       7.943144  ?              ?        
1 1 1 8   13  5  o 596.2263 21.29328 80.09472       7.661817  77.29189       8.080272  11.47040       42.99727 
1 1 1 8   13  6  o 316.6626 31.87762 21.70559       5.995013  23.79420       6.375927  -14.31207      65.97551 
1 1 1 8   13  7  o 285.6449 34.70995 18.06034       5.815272  19.29993       6.257455  -8.605286      72.18836 
1 1 1 8   13  8  o 1286.893 33.03249 390.6956       26.97753  356.6167       25.75981  58.01660       67.02514 
1 1 1 8   13  9  o 720.7347 28.71050 120.2886       12.70683  112.2674       12.91654  26.25647       58.25910 
1 1 1 8   13  10 o 301.9471 39.04383 21.19079       6.071596  20.60417       9.097473  15.61008       86.98289 
1 1 1 8   13  11 o 227.7274 56.67901 13.54731       7.423963  11.41469       8.670033  14.92305       101.3860 
1 1 1 8   13  12 o 558.5076 29.14419 60.79744       9.300421  82.66417       11.04815  -85.61993      59.16555 
1 1 1 8   13  13 o 501.1336 33.40757 0.000000       0.000000  56.67022       7.301506  ?              ?        
1 1 1 8   13  14 o 141.0025 55.04569 4.323475       5.863883  0.6263402      9.049910  -3.856842      92.02367 
1 1 1 8   13  15 f 764.0226 29.65128 0.000000       0.000000  131.1904       9.918037  ?              ?        
1 1 1 8   13  16 o 121.2116 50.62210 1.435404       6.110022  1.035654       6.617827  -2.239166      83.80260 
1 1 1 8   13  17 o 114.0253 48.36412 -0.4354249     5.873307  1.990968       6.006989  -14.31465      80.20991 
1 1 1 8   13  18 o 605.9462 20.01736 78.75999       7.296650  85.07753       7.751602  -22.87262      40.40764 
1 1 1 8   13  19 o 165.6023 47.94389 9.348917       5.118484  3.831865       5.299041  47.21609       80.45036 
1 1 1 8   13  20 o 543.5990 17.31170 65.93127       5.872210  65.59684       5.789004  1.185120       34.93237 
1 1 1 8   13  21 o 478.5410 17.64489 52.60535       5.929345  50.35031       4.729545  6.336090       36.53945 
1 1 1 8   13  22 o 300.1175 23.11090 20.67973       6.080320  20.69806       3.477911  -21.07779      58.55868 
1 1 1 8   13  23 o 126.2729 36.66253 4.724397       3.441789  3.702559       2.753246  12.35017       63.27320 
1 1 1 8   13  24 o 76.24619 32.32997 1.321379       2.511780  -0.3370301     2.819808  9.249252       52.84309 
1 1 1 8   13  25 f 225.2391 22.05644 11.04931       2.617886  14.17052       3.774942  -17.29501      49.05243 
1 1 1 8   13  26 o 100.1365 29.91906 3.166411       1.953627  2.127154       2.051458  13.83379       50.39730 
1 1 1 8   13  27 o 202.4276 15.75429 11.45369       1.968492  7.719240       1.956960  44.34171       34.02612 
1 1 1 8   13  28 f 90.40931 27.11794 2.490359       1.387807  1.639736       2.116311  10.81748       45.81797 
1 1 1 8   13  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   14  0  o 105.9825 45.41489 0.9288443      5.195610  -0.7687413     5.480241  6.547501       75.85564 
1 1 1 8   14  1  o 113.9639 48.35387 -2.408797      5.732357  3.832896       6.171504  -39.01652      80.79057 
1 1 1 8   14  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   14  3  o 323.2479 33.35544 22.57026       6.400417  24.84428       6.802783  -15.35187      69.06179 
1 1 1 8   14  4  o 148.6081 52.64091 4.119390       5.927397  5.053219       6.224658  -8.712540      87.11876 
1 1 1 8   14  5  o 113.6563 48.40938 -2.714310      5.929356  3.424335       6.058887  -34.97831      80.77644 
1 1 1 8   14  6  o 542.1930 22.57576 61.01707       7.315013  70.05014       7.867908  -37.35590      45.51938 
1 1 1 8   14  7  o 368.8264 28.94455 29.11551       6.345516  32.09634       6.818391  -17.63751      59.17609 
1 1 1 8   14  8  o 319.3837 48.27573 0.000000       0.000000  23.86393       6.552208  ?              ?        
1 1 1 8   14  9  o 147.2223 53.87116 3.997731       6.016298  4.638100       6.914131  -10.56723      89.16188 
1 1 1 8   14  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   14  11 o 135.7115 58.96837 4.979784       8.993696  -5.844740      9.502749  40.23778       98.01436 
1 1 1 8   14  12 o 351.4513 48.37186 28.05932       9.928469  30.00451       10.64104  -10.06314      100.7896 
1 1 1 8   14  13 o 294.9093 76.23055 0.000000       0.000000  22.52804       9.932334  ?              ?        
1 1 1 8   14  14 o 742.0726 30.89683 134.2648       14.63273  115.0690       13.78775  57.45538       62.83819 
1 1 1 8   14  15 o 397.3944 34.96519 38.35030       10.81080  35.21579       7.269869  2.161316       78.70992 
1 1 1 8   14  16 o 577.0200 22.68811 73.05077       7.937062  75.99985       8.284270  -10.81238      45.94519 
1 1 1 8   14  17 o 96.46400 45.60207 -3.267852      8.680541  -5.815885      6.279333  30.88068       81.03257 
1 1 1 8   14  18 o 136.0240 51.40347 2.919513       5.715105  4.376636       6.180827  -12.79530      84.49483 
1 1 1 8   14  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   14  20 o 140.2657 47.54871 3.746667       4.924450  5.706076       4.932730  -15.68413      78.48844 
1 1 1 8   14  21 o 155.3991 44.27254 8.752793       5.971093  5.211778       3.729869  32.90462       79.23682 
1 1 1 8   14  22 o 317.1190 25.62851 25.23240       7.008093  22.88828       4.093293  -10.59311      63.42337 
1 1 1 8   14  23 o 271.1367 23.75902 17.00025       4.458771  17.44412       3.591795  -13.27113      52.12537 
1 1 1 8   14  24 o 116.3347 42.23945 3.759233       3.080530  3.943972       6.484605  -8.247330      71.29566 
1 1 1 8   14  25 o 123.2859 35.14087 3.160817       2.789355  5.263147       2.847289  -24.01283      59.79942 
1 1 1 8   14  26 o 59.16222 27.75296 0.9468322      2.762174  -2.677909      2.420435  24.54279       47.70602 
1 1 1 8   14  27 o 174.1327 23.35115 8.521478       2.598749  6.971622       2.339318  16.07806       50.65572 
1 1 1 8   14  28 o 101.5927 30.69121 0.7123856E-01  2.148618  5.736812       2.048530  -68.03712      46.54465 
1 1 1 8   14  29 o 143.8731 20.56868 4.880880       1.702055  5.701306       1.877935  -9.486572      44.13331 
1 1 1 8   15  0  o 423.1890 30.87984 40.68021       8.000931  39.92343       8.101139  4.472137       63.16875 
1 1 1 8   15  1  o 107.9029 48.74545 -4.132289      6.856931  0.9383124E-01  7.046044  -19.81963      82.86427 
1 1 1 8   15  2  o 492.5768 38.33492 0.000000       0.000000  55.46859       8.217491  ?              ?        
1 1 1 8   15  3  o 289.6268 40.28052 19.45674       6.921572  19.40249       7.167421  1.382843       83.29114 
1 1 1 8   15  4  o 689.8373 22.40036 107.6845       9.368611  103.4505       9.791076  14.88275       45.24547 
1 1 1 8   15  5  o 488.2615 25.77318 50.52884       7.489235  56.28507       8.104104  -25.87711      52.22264 
1 1 1 8   15  6  o 559.3536 23.89402 72.03413       8.032849  66.79744       8.533023  22.56818       48.50319 
1 1 1 8   15  7  o 200.5643 51.80468 12.63746       6.331888  6.373542       6.661270  50.57010       89.86180 
1 1 1 8   15  8  o 252.6330 45.03872 15.65641       6.691311  14.27569       6.912685  12.27293       88.68963 
1 1 1 8   15  9  o 848.1973 22.11868 167.5172       11.45843  151.1921       11.80514  44.83435       44.69040 
1 1 1 8   15  10 f 240.2324 50.23299 10.72783       6.835791  17.78856       7.736734  -56.74886      93.85597 
1 1 1 8   15  11 o 305.7211 40.77849 21.42122       7.179830  21.93737       7.962232  -0.8038940     85.06283 
1 1 1 8   15  12 o 615.8697 23.73596 87.32595       8.924300  81.58630       9.183326  22.08667       48.06680 
1 1 1 8   15  13 o 237.2850 69.18213 16.15731       10.72399  12.78273       10.89077  19.93478       117.9336 
1 1 1 8   15  14 o 184.0190 67.97134 6.246505       9.767297  9.487034       10.82970  -20.26433      111.2475 
1 1 1 8   15  15 o 196.2432 61.85127 11.15517       7.150122  6.644777       10.70782  17.60718       104.0372 
1 1 1 8   15  16 o 352.1794 51.87635 29.24400       11.37737  31.28838       10.64697  -18.12137      108.9485 
1 1 1 8   15  17 o 342.6933 45.89651 30.76199       9.295176  25.08177       9.743855  42.08780       97.18993 
1 1 1 8   15  18 x ?        ?        -31.26236      6.825785  -29.02931      8.057323  ?              ?        
1 1 1 8   15  19 o 161.9656 52.81634 7.352787       5.879546  5.674685       6.334119  10.86369       87.70081 
1 1 1 8   15  20 o 228.0609 40.03293 11.92454       5.574306  13.62799       5.346812  -17.66728      80.17593 
1 1 1 8   15  21 o 202.5125 42.58099 13.71165       6.817189  9.297687       4.341930  25.96687       84.07388 
1 1 1 8   15  22 o 100.6966 43.76865 0.7489599      9.301723  0.8804379      3.905723  31.14673       77.65386 
1 1 1 8   15  23 o 111.4468 40.95452 3.317723       4.466360  3.135730       3.249229  6.222458       67.07967 
1 1 1 8   15  24 o 123.7948 40.29091 3.922759       3.813140  4.810812       3.330306  -8.196487      66.22671 
1 1 1 8   15  25 o 77.61583 34.52350 -1.196339      3.174393  2.151456       3.537813  -22.33382      56.76267 
1 1 1 8   15  26 o 55.69381 27.26554 -3.201767      3.306535  -2.892174      3.035904  1.889122       46.74621 
1 1 1 8   15  27 o 97.02130 36.38807 2.940974       2.872942  2.819309       3.058460  0.8395462      57.70001 
1 1 1 8   15  28 o 107.1643 34.08487 1.630170       2.697014  5.357492       2.422353  -39.30891      54.04672 
1 1 1 8   15  29 o 104.1319 32.86058 1.131163       2.552314  5.350695       2.226763  -45.69903      51.32988 
1 1 1 8   16  0  o 114.7866 52.13998 -5.484880      7.749166  0.9614642      8.464402  -31.07941      89.01414 
1 1 1 8   16  1  o 165.0818 58.60864 8.034003       7.290883  3.443680       7.791394  25.87807       96.12343 
1 1 1 8   16  2  o 258.9701 54.08452 16.62845       8.277577  15.78651       8.543967  6.805862       102.1724 
1 1 1 8   16  3  o 355.8029 37.61945 35.30935       8.064125  22.45307       8.295732  87.79752       81.16699 
1 1 1 8   16  4  o 202.9283 56.94521 11.32789       7.175640  8.737399       7.778500  17.95055       98.09144 
1 1 1 8   16  5  o 299.2431 40.92262 18.14823       7.225622  23.83187       7.582324  -42.98877      84.86433 
1 1 1 8   16  6  o 154.6856 56.35417 3.558882       6.952932  6.453469       7.073769  -19.06892      92.61631 
1 1 1 8   16  7  o 338.7081 38.62769 27.99220       7.868896  24.80904       8.077337  23.41202       81.16629 
1 1 1 8   16  8  o 436.1534 29.94864 41.07911       7.930241  44.83072       8.182842  -19.30325      61.24586 
1 1 1 8   16  9  o 250.4724 51.11660 16.51802       7.820965  13.92541       7.533124  20.21271       97.17340 
1 1 1 8   16  10 o 296.5842 45.70864 20.75490       7.920011  20.87049       8.378448  1.024506       93.67908 
1 1 1 8   16  11 o 364.9792 36.48836 33.36390       8.038625  27.76449       8.267159  37.85464       76.99734 
1 1 1 8   16  12 o 158.3129 59.28721 5.841451       7.820188  4.526949       7.890634  7.117355       97.07471 
1 1 1 8   16  13 o 241.2893 61.22971 18.91143       10.92629  12.76788       8.067369  38.50310       110.8826 
1 1 1 8   16  14 o 182.3762 61.02454 4.523399       7.937749  12.25488       8.312932  -49.58258      100.1841 
1 1 1 8   16  15 o 287.5042 48.77359 15.99966       8.302931  24.36407       8.475671  -63.04776      97.36733 
1 1 1 8   16  16 o 221.0752 73.03422 5.040846       11.24098  22.09103       12.07859  -89.34700      118.4546 
1 1 1 8   16  17 o 79.94334 40.69334 -22.82537      10.98661  -34.81667      11.19821  12.92785       75.55269 
1 1 1 8   16  18 o 105.7879 49.14474 -7.406470      6.775729  4.430935       9.352883  -62.53385      87.85121 
1 1 1 8   16  19 o 123.0810 53.02196 -0.4097525     6.920472  3.445891       7.849129  -23.01440      87.33905 
1 1 1 8   16  20 o 145.0089 54.01016 5.524740       6.516843  5.042120       6.485867  3.000229       87.37322 
1 1 1 8   16  21 o 152.3071 49.50422 5.090304       6.858642  7.074610       4.542724  -11.50830      82.14612 
1 1 1 8   16  22 o 111.4204 48.36446 0.000000       0.000000  1.850903       4.384843  ?              ?        
1 1 1 8   16  23 o 151.0766 53.21288 11.68623       9.563735  6.878541       4.929104  11.46323       87.57473 
1 1 1 8   16  24 o 119.8487 44.24825 1.750117       5.052209  5.884825       3.871743  -25.77959      69.42186 
1 1 1 8   16  25 o 88.71867 39.67768 2.743951       3.524035  -5.925239      7.203084  11.01705       62.89886 
1 1 1 8   16  26 o 140.1900 38.74771 9.639349       3.530520  3.127208       3.435269  62.09306       63.69403 
1 1 1 8   16  27 o 72.06109 32.53058 -0.7624015     3.230975  1.367606       2.963602  -9.399216      52.12285 
1 1 1 8   16  28 o 107.3714 37.36971 2.925671       3.420347  4.914913       2.778891  -18.80605      58.39421 
1 1 1 8   16  29 o 111.3249 36.52443 3.856306       2.893421  5.212949       2.931604  -11.72540      58.27886 
1 1 1 8   17  0  o 293.5198 67.57479 0.000000       0.000000  22.68584       8.519950  ?              ?        
1 1 1 8   17  1  o 275.2420 52.38004 31.05223       8.821978  7.111444       8.425012  168.8158       93.09357 
1 1 1 8   17  2  o 76.24933 38.63451 -26.03988      9.119518  -17.99167      9.322480  -13.98085      72.09048 
1 1 1 8   17  3  o 204.0551 61.87119 15.60535       8.559431  4.972396       8.462040  70.38356       102.2890 
1 1 1 8   17  4  o 419.4442 36.79905 46.75643       9.563861  33.85906       9.394089  72.51108       77.49879 
1 1 1 8   17  5  o 371.3497 40.23817 31.98307       9.137739  31.77023       9.104690  1.222900       84.44291 
1 1 1 8   17  6  o 392.8314 38.22327 38.27480       9.215233  32.86571       9.178205  32.80911       80.23292 
1 1 1 8   17  7  o 218.7143 58.56093 7.676819       7.908710  16.75020       8.312221  -65.52829      100.6205 
1 1 1 8   17  8  o 287.5491 50.90718 17.50464       8.633179  22.72467       8.867931  -38.37842      100.9345 
1 1 1 8   17  9  o 148.0129 59.51471 5.919659       8.422673  0.9880763      8.305722  25.28094       97.41661 
1 1 1 8   17  10 o 147.2277 59.47829 1.232322       8.258704  5.542818       8.541167  -22.96535      97.44755 
1 1 1 8   17  11 f 168.4716 62.18316 7.638458       8.382813  4.786346       8.796447  13.76291       101.5406 
1 1 1 8   17  12 o 476.0780 33.70890 56.96959       9.797878  46.69392       9.985951  51.97626       70.32397 
1 1 1 8   17  13 o 222.9832 63.11434 8.959891       8.937325  17.09129       9.318067  -53.51726      107.5261 
1 1 1 8   17  14 o 569.2031 42.58743 0.000000       0.000000  75.93619       10.55578  ?              ?        
1 1 1 8   17  15 o 413.3411 41.04305 45.57862       13.08222  37.56559       8.872694  20.42670       91.92482 
1 1 1 8   17  16 o 306.5967 49.59044 32.25718       9.038033  13.62534       9.183075  132.8979       97.81773 
1 1 1 8   17  17 o 151.1228 57.81534 -0.8519502     7.221066  12.04490       7.961635  -75.76685      93.17371 
1 1 1 8   17  18 o 301.3300 42.96544 14.05106       7.433555  32.67773       8.235868  -134.9049      88.36613 
1 1 1 8   17  19 o 157.7043 67.53102 -0.9846833     11.02476  13.58052       12.70266  -51.33148      108.5767 
1 1 1 8   17  20 o 190.1357 71.85685 15.90710       10.69494  8.120318       12.77348  30.80420       111.1214 
1 1 1 8   17  21 o 109.0805 47.22341 1.106825       6.773383  1.907502       5.267056  4.500336       76.50578 
1 1 1 8   17  22 o 119.2571 50.03119 2.485579       9.135833  3.947169       5.043092  4.786293       80.32572 
1 1 1 8   17  23 o 112.9045 49.65528 0.000000       0.000000  3.261539       4.755805  ?              ?        
1 1 1 8   17  24 o 236.1129 38.69889 15.63470       6.229471  16.17652       4.936957  -30.94411      82.52995 
1 1 1 8   17  25 o 101.7530 40.42843 2.788565       3.862655  3.598371       3.765177  -5.050110      63.29012 
1 1 1 8   17  26 o 76.74659 35.36947 -0.1007979     3.678454  1.015256       4.172593  -6.930786      56.31964 
1 1 1 8   17  27 o 162.5690 44.24316 8.549054       3.513014  17.90402       8.357187  11.74848       76.45699 
1 1 1 8   17  28 o 83.75274 35.96617 4.435967       3.720180  0.7431744      3.083886  20.43463       56.13697 
1 1 1 8   18  0  o 109.0105 51.76810 -2.761659      11.64485  -7.473961      8.194121  36.44853       91.20161 
1 1 1 8   18  1  f 186.7468 73.49023 0.000000       0.000000  8.105647       8.831110  ?              ?        
1 1 1 8   18  2  o 406.5558 39.18972 40.68568       10.10993  36.95641       9.446080  18.12692       82.78442 
1 1 1 8   18  3  o 317.4538 50.72681 28.37337       9.996593  21.16100       9.342924  47.91791       103.6107 
1 1 1 8   18  4  o 173.2193 65.36708 9.409671       9.481651  3.213712       9.699096  30.29118       106.3214 
1 1 1 8   18  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   18  6  o 377.1054 42.71613 36.79477       9.600046  29.19850       10.04862  50.82611       91.18311 
1 1 1 8   18  7  o 284.9615 55.64660 18.07749       9.520749  21.71632       9.446642  -26.44910      107.4585 
1 1 1 8   18  8  o 453.1646 36.63589 40.60843       9.977918  54.24162       10.46098  -69.27405      76.56364 
1 1 1 8   18  9  o 190.8000 76.80466 0.000000       0.000000  6.903829       9.861076  ?              ?        
1 1 1 8   18  10 o 336.8474 61.96527 23.84193       10.72255  38.24084       15.50034  -65.78894      125.5249 
1 1 1 8   18  11 o 442.2671 38.46438 40.97298       10.42419  49.61217       10.47147  -46.55112      80.92813 
1 1 1 8   18  12 o 153.9243 62.47104 8.694701       9.315324  -1.293634      9.307249  45.99171       101.6981 
1 1 1 8   18  13 o 334.4252 46.06912 24.16018       9.306788  29.39334       9.300072  -37.06693      96.87265 
1 1 1 8   18  14 o 201.0593 70.54250 19.18899       11.25584  2.802227       10.54271  84.44279       113.4543 
1 1 1 8   18  15 o 73.82833 37.42891 -11.82255      8.428670  -30.62975      9.073252  22.84778       69.79824 
1 1 1 8   18  16 o 165.3428 60.34493 6.510945       7.762688  7.113917       8.363112  -5.306229      98.20190 
1 1 1 8   18  17 o 129.9561 55.12766 -1.925804      7.168915  7.860013       8.415749  -51.00483      90.95665 
1 1 1 8   18  18 o 299.4004 41.47068 19.79964       6.840240  26.41110       8.384381  -35.99167      89.34393 
1 1 1 8   18  19 o 111.4425 50.14299 8.263824       6.919182  -9.884760      7.678922  63.54160       81.81265 
1 1 1 8   18  20 o 246.6205 44.33630 14.64884       6.296967  18.61095       6.798652  -28.13400      89.99393 
1 1 1 8   18  21 o 164.7683 62.82649 10.27392       6.302547  0.000000       0.000000  ?              ?        
1 1 1 8   18  22 o 140.4715 63.47181 4.418879       11.18142  15.87301       12.51052  -22.19489      93.64353 
1 1 1 8   18  23 o 114.2979 54.91633 2.156185       10.65354  2.141074       12.19524  -1.589500      83.33942 
1 1 1 8   18  24 o 114.8733 47.87709 2.344598       6.199983  6.593453       5.243203  -18.18084      72.69666 
1 1 1 8   18  25 o 106.2374 45.35612 5.246941       6.050236  3.807031       4.748813  5.037613       68.77412 
1 1 1 8   18  26 o 107.0072 43.47362 5.877900       4.560282  3.452950       4.470239  11.95654       65.74437 
1 1 1 8   18  27 o 91.94970 39.22223 4.085386       3.598907  2.144554       4.413641  9.321419       58.95668 
1 1 1 8   18  28 o 95.41100 38.88190 3.976011       3.624378  3.827170       3.624603  0.8026047      58.24452 
1 1 1 8   19  0  o 150.2246 64.27112 5.131469       11.76523  2.876649       9.799082  14.83672       103.7213 
1 1 1 8   19  1  o 287.3341 57.23604 24.43650       10.56377  20.15517       9.252479  20.79509       111.8970 
1 1 1 8   19  2  o 147.0567 61.67206 1.922037       9.889030  4.545683       9.121956  -6.961639      99.90416 
1 1 1 8   19  3  o 300.6290 57.94757 18.45820       10.34883  28.59985       10.48174  -68.02469      112.1938 
1 1 1 8   19  4  o 295.5161 57.02849 23.46194       10.02204  21.24574       10.12973  16.01843       111.6598 
1 1 1 8   19  5  o 186.7783 66.36897 6.386335       9.502163  11.29922       9.818186  -26.94890      108.2607 
1 1 1 8   19  6  o 240.6364 65.69692 12.29687       10.18892  18.36806       9.974350  -38.30518      113.4890 
1 1 1 8   19  7  o 471.2385 39.49146 48.26579       11.16435  55.88909       11.73286  -35.54813      82.98479 
1 1 1 8   19  8  o 192.5918 68.85239 11.17292       10.32763  7.146801       10.48980  19.98529       112.2259 
1 1 1 8   19  9  x ?        ?        -46.33594      10.96779  -63.83003      14.89656  ?              ?        
1 1 1 8   19  10 x ?        ?        -44.12714      11.17095  -64.43810      11.82739  ?              ?        
1 1 1 8   19  11 x ?        ?        -26.75243      10.42665  -32.72821      10.37497  7.219429       70.98940 
1 1 1 8   19  12 o 144.6157 61.09965 -1.981544      9.536527  6.679124       9.302173  -34.35103      99.61555 
1 1 1 8   19  13 o 153.4766 62.84526 12.78374       9.751343  -3.724337      9.313232  74.74823       101.5112 
1 1 1 8   19  14 o 114.8811 53.32463 -1.995702      9.179373  -4.462480      9.036198  8.573807       89.55827 
1 1 1 8   19  15 o 133.8713 60.99005 -0.8870258     7.893725  0.000000       0.000000  ?              ?        
1 1 1 8   19  16 o 142.2747 57.67696 3.829647       7.496128  4.708774       8.440747  -8.062180      93.10144 
1 1 1 8   19  17 o 219.2028 57.83564 12.14390       7.458893  16.12461       8.620252  -22.40959      101.9496 
1 1 1 8   19  18 o 98.85510 46.06927 -2.897810      6.214200  -0.6503827     7.890178  -18.50235      77.43494 
1 1 1 8   19  19 o 133.2322 52.88704 3.676301       6.085323  6.257455       7.061952  -15.48642      84.41046 
1 1 1 8   19  20 o 112.9429 48.51397 2.006366       5.972606  3.129789       6.261832  -6.063164      77.12772 
1 1 1 8   19  21 o 214.7614 50.89881 18.79040       8.119884  13.11214       5.802587  10.19008       94.15464 
1 1 1 8   19  22 o 149.4735 53.45465 3.632219       7.800864  10.79500       5.393183  -41.70647      81.03990 
1 1 1 8   19  23 o 111.2184 48.99639 12.52530       10.78870  2.249974       5.151317  26.74062       78.73524 
1 1 1 8   19  24 o 106.4124 45.78613 5.210006       5.921638  3.497776       5.094324  6.580826       69.48376 
1 1 1 8   19  25 o 99.82528 49.21883 9.399724       10.30063  -0.3623440     11.63699  10.19662       71.06139 
1 1 1 8   19  26 o 265.2643 70.27776 5.709024       10.06184  125.0743       14.71918  -312.3939      97.84947 
1 1 1 8   19  27 o 74.53773 36.02279 0.8412656      4.446962  -0.9133924     6.008139  0.4367142      55.36850 
1 1 1 8   19  28 o 64.17578 32.20614 -3.348625      3.955446  0.000000       0.000000  ?              ?        
1 1 1 8   20  0  o 170.0864 80.17725 0.000000       0.000000  6.943301       15.52269  ?              ?        
1 1 1 8   20  1  o 164.0993 73.32883 14.21298       16.44909  -0.1255963     14.29014  35.86816       115.4736 
1 1 1 8   20  2  o 151.4075 62.78333 -0.6847374     9.883013  10.04550       9.462158  -41.02336      100.0154 
1 1 1 8   20  3  o 203.8702 67.81819 16.75535       10.19520  8.233110       9.872008  44.77371       110.2222 
1 1 1 8   20  4  o 241.5390 65.76530 20.76908       9.958658  12.52629       10.28282  50.91267       112.7744 
1 1 1 8   20  5  o 211.2720 69.70576 8.152807       10.58532  17.83981       10.61839  -50.43298      113.3433 
1 1 1 8   20  6  o 168.8938 67.96896 11.91024       10.45662  -0.1356858     11.44761  44.80280       108.1986 
1 1 1 8   20  7  o 109.2053 52.74020 -14.88054      10.50719  -1.997939      11.09452  -33.21864      91.60361 
1 1 1 8   20  8  o 223.0710 82.11578 10.27741       14.84387  20.21005       15.05651  -37.46341      130.5745 
1 1 1 8   20  9  o 145.2502 63.73738 0.6724848      10.46420  2.605948       11.68628  -12.17180      104.0905 
1 1 1 8   20  10 o 156.3060 64.58943 9.394517       10.25953  -0.1671578     10.10421  39.19217       104.1726 
1 1 1 8   20  11 o 353.1955 48.05737 37.15906       10.50572  25.80068       10.02374  72.52786       102.9128 
1 1 1 8   20  12 o 345.6747 50.66074 32.89602       10.70985  28.29030       10.37956  28.27188       108.1405 
1 1 1 8   20  13 o 148.9101 64.49157 16.81794       13.40632  -3.667774      9.517671  83.40622       109.0891 
1 1 1 8   20  14 o 219.4349 63.30585 20.62983       8.531348  5.515497       9.780470  91.90508       102.1070 
1 1 1 8   20  15 o 170.9370 65.89550 6.899202       7.805213  15.10483       15.65059  -35.06438      110.8764 
1 1 1 8   20  16 o 141.6513 58.51042 7.401250       7.679813  0.9392122      9.233749  21.73050       92.47179 
1 1 1 8   20  17 o 148.4163 56.97089 4.064291       6.720094  9.970500       8.230536  -31.54895      91.45958 
1 1 1 8   20  18 o 128.1452 53.53151 6.161441       6.619324  1.234858       7.708876  17.93968       84.21736 
1 1 1 8   20  19 o 115.0437 49.70436 2.448876       6.276287  3.284513       6.722734  -4.868309      78.55514 
1 1 1 8   20  20 o 107.4051 47.92751 -0.4593424     6.511778  5.204188       6.475001  -20.09489      75.17012 
1 1 1 8   20  21 o 104.3223 46.60891 4.916075       7.952686  1.227485       5.207024  18.43991       74.45473 
1 1 1 8   20  22 o 134.7903 55.18723 15.43084       11.68707  6.366674       5.796482  12.03027       84.58228 
1 1 1 8   20  23 o 86.16875 42.53109 0.000000       0.000000  -2.650927      5.812708  ?              ?        
1 1 1 8   20  24 o 123.7287 52.40196 10.94074       8.720262  7.994232       5.955011  -1.340187      74.84037 
1 1 1 8   20  25 o 69.33741 34.71699 -6.425151      7.586251  -3.935508      5.535558  3.511627       55.93220 
1 1 1 8   20  26 o 70.21560 34.25195 0.1607817      4.696275  -1.790269      5.046243  3.311989       53.36202 
1 1 1 8   20  27 f 66.62769 32.89455 -2.961961      4.787742  0.3079298      5.082241  -7.185020      51.50639 
1 1 1 8   21  0  o 148.8643 67.03941 8.873040       13.59551  1.943560       12.52297  17.78191       104.2605 
1 1 1 8   21  1  o 131.0402 61.61266 1.384122       13.25625  -3.006832      12.41646  11.45886       98.70299 
1 1 1 8   21  2  o 151.2138 74.44723 0.000000       0.000000  -3.457933      17.43177  ?              ?        
1 1 1 8   21  3  o 158.5448 77.28265 0.000000       0.000000  -0.1731207     17.41023  ?              ?        
1 1 1 8   21  4  o 174.2639 75.12337 0.000000       0.000000  8.970439       10.43449  ?              ?        
1 1 1 8   21  5  o 204.4640 77.04232 16.54085       16.37113  13.34529       11.50033  7.276962       121.5993 
1 1 1 8   21  6  o 241.9269 76.48321 43.14753       15.04614  6.166786       11.39920  158.6954       123.2925 
1 1 1 8   21  7  o 145.6078 70.71886 -7.985405      14.22041  0.000000       0.000000  ?              ?        
1 1 1 8   21  8  o 212.6400 68.50024 12.83482       9.675689  15.39553       10.98723  -11.14439      112.6959 
1 1 1 8   21  9  o 363.0633 50.01253 34.64375       10.49627  34.13070       11.50197  15.51022       109.9304 
1 1 1 8   21  10 o 143.4322 61.16513 -0.6136382     9.138567  8.859694       10.11036  -39.09673      98.78600 
1 1 1 8   21  11 o 120.3616 55.90170 -2.768502      10.04583  -1.305888      10.01671  -3.840225      91.85529 
1 1 1 8   21  12 o 147.8419 64.89109 7.030713       13.65676  2.116035       10.03209  23.72246       104.5817 
1 1 1 8   21  13 o 132.2780 57.64479 5.878910       8.320463  -1.715073      9.575295  21.82854       92.01964 
1 1 1 8   21  14 o 117.4064 53.67456 -4.682802      8.288912  5.508794       9.281491  -36.41623      88.32304 
1 1 1 8   21  15 o 157.0104 66.73853 7.671984       8.025769  0.000000       0.000000  ?              ?        
1 1 1 8   21  16 o 187.1681 60.90003 14.69989       7.675445  8.097653       8.615054  39.55246       97.38756 
1 1 1 8   21  17 o 147.1614 57.74309 3.547601       6.987584  12.81700       8.660593  -41.44209      91.49269 
1 1 1 8   21  18 o 164.2144 61.87947 4.900156       7.789700  20.48359       9.689136  -59.35652      96.48035 
1 1 1 8   21  19 o 83.01257 40.45504 -0.9790167     6.879699  -6.477806      6.600604  13.90723       66.79187 
1 1 1 8   21  20 f 91.01344 43.73222 -1.894121      7.336948  -1.519592      7.067938  0.1555328      69.95610 
1 1 1 8   21  21 o 92.86456 44.13317 6.984192       10.31050  -2.057034      5.551928  28.90323       72.89395 
1 1 1 8   21  22 o 118.3398 52.33967 0.6560162E-01  11.85191  8.787542       6.002107  -21.74594      75.66106 
1 1 1 8   21  23 o 85.51625 42.53432 0.000000       0.000000  -1.636442      6.245909  ?              ?        
1 1 1 8   21  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   21  25 o 89.65446 43.17967 -0.1596234     8.889749  5.959032       6.100552  -9.691429      62.51637 
1 1 1 8   21  26 o 79.89198 38.30373 3.335667       5.480017  0.9635479      5.428668  5.115364       56.85522 
1 1 1 8   21  27 o 68.97127 34.89310 -2.224335      5.189589  0.000000       0.000000  ?              ?        
1 1 1 8   22  0  o 143.9817 64.43300 6.876840       13.58872  6.231556       10.60756  3.606049       98.44038 
1 1 1 8   22  1  o 140.4457 63.61356 10.61803       13.36358  1.012057       10.87381  25.32428       99.26744 
1 1 1 8   22  2  o 105.4611 52.25105 -9.345496      12.17502  -12.77273      13.62045  -0.6643448     86.48532 
1 1 1 8   22  3  o 158.6597 70.38422 8.051747       14.31970  7.864363       13.32510  1.089050       107.4089 
1 1 1 8   22  4  o 128.7328 64.94299 0.000000       0.000000  -19.79533      17.23927  ?              ?        
1 1 1 8   22  5  o 173.1576 77.04971 18.27665       15.46365  5.134552       18.18352  25.22000       114.2699 
1 1 1 8   22  6  o 156.9838 70.19371 4.200144       13.15306  11.40074       15.04277  -17.47705      107.8985 
1 1 1 8   22  7  o 173.1636 69.92192 11.52157       10.01462  7.964852       14.28750  10.85806       107.8459 
1 1 1 8   22  8  o 210.1841 71.88987 15.81615       9.888305  15.83148       13.46029  9.952576       114.1437 
1 1 1 8   22  9  o 145.1864 62.08612 -1.854502      9.696802  12.67479       10.17673  -51.49435      98.46593 
1 1 1 8   22  10 o 150.6951 65.78412 -2.855718      14.09102  10.17398       10.10121  -26.99594      101.7511 
1 1 1 8   22  11 o 147.5116 62.17255 9.656079       9.501724  1.727449       9.938313  27.16533       97.25947 
1 1 1 8   22  12 o 131.2209 57.71028 -0.1214199     8.638351  7.290560       9.607993  -27.33508      91.98234 
1 1 1 8   22  13 o 122.4350 55.23651 4.261774       8.626891  -1.120579      9.176517  14.46606       87.78322 
1 1 1 8   22  14 o 141.0315 59.60282 6.979240       8.622184  4.685050       9.353881  7.170624       92.41815 
1 1 1 8   22  15 o 135.5471 61.86877 5.049987       8.171453  0.000000       0.000000  ?              ?        
1 1 1 8   22  16 o 108.6979 50.28580 0.3737945      7.463420  1.999866       8.664932  -7.908989      79.45634 
1 1 1 8   22  17 o 152.2511 59.36818 8.832203       7.680332  11.09995       8.568096  -6.477402      89.67788 
1 1 1 8   22  18 o 86.62357 42.75717 -4.270988      8.114308  -6.835189      8.522133  2.739128       69.65515 
1 1 1 8   22  19 o 94.55303 45.47616 9.061708       8.117525  -9.974747      7.565483  44.29595       74.75679 
1 1 1 8   22  20 o 109.6215 50.01816 -0.6573755     7.704093  8.747674       7.394906  -24.68177      75.61691 
1 1 1 8   22  21 o 93.35035 44.52179 -3.424006      11.12674  2.606286       5.689102  -1.865097      68.16779 
1 1 1 8   22  22 o 77.84653 38.82344 2.721023       12.08456  -5.070535      5.966928  18.97217       62.99446 
1 1 1 8   22  23 o 83.13996 41.48525 0.000000       0.000000  -0.7617854     6.143766  ?              ?        
1 1 1 8   22  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   22  25 o 82.94364 40.82560 2.281680       9.164229  3.795327       6.371589  -1.977951      59.00718 
1 1 1 8   22  26 o 76.19274 37.59896 2.641087       7.694776  1.873839       5.611980  1.382141       54.94036 
1 1 1 8   23  0  o 133.3033 62.69712 6.765165       13.42597  1.710368       13.15782  8.895142       95.32143 
1 1 1 8   23  1  o 147.1893 67.54496 5.641872       13.83429  13.05645       14.21702  -13.07790      99.97404 
1 1 1 8   23  2  o 142.2329 63.95218 11.76698       10.71713  0.6577594E-01  13.29954  24.46063       96.17865 
1 1 1 8   23  3  o 141.1439 64.85125 7.893030       15.16071  5.110419       11.53262  7.419205       98.55222 
1 1 1 8   23  4  o 108.0669 53.71539 -16.96757      13.25151  -1.350696      14.87994  -22.94996      88.20692 
1 1 1 8   23  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   23  6  o 140.2387 69.44491 -1.669178      15.95545  0.000000       0.000000  ?              ?        
1 1 1 8   23  7  o 119.2071 57.02382 -0.2221692     10.53236  -3.981788      14.11885  -2.647873      90.62307 
1 1 1 8   23  8  o 142.3778 66.25063 13.77256       14.39170  -1.678684      13.99972  27.55568       100.9388 
1 1 1 8   23  9  o 118.8050 59.55775 0.000000       0.000000  -10.93598      13.35172  ?              ?        
1 1 1 8   23  10 o 127.4489 57.67886 7.853373       9.480097  -1.070654      10.11458  22.33095       89.41653 
1 1 1 8   23  11 o 109.6668 51.71761 5.365762       8.312994  -9.329557      10.30793  26.54475       82.20573 
1 1 1 8   23  12 o 147.1277 62.03790 19.13041       9.371213  -3.642491      10.01580  73.55615       94.22863 
1 1 1 8   23  13 o 106.1957 50.63380 -2.077526      8.850477  0.5590685      9.713161  -8.030342      80.33147 
1 1 1 8   23  14 o 142.9486 62.36765 5.558225       11.46935  11.38777       9.619233  -15.95905      92.31115 
1 1 1 8   23  15 o 110.1502 53.53225 -0.7484962     8.183564  0.000000       0.000000  ?              ?        
1 1 1 8   23  16 o 166.5985 62.10764 12.22876       8.047749  12.80276       9.285779  3.206131       93.26241 
1 1 1 8   23  17 o 110.7235 52.52522 1.635263       9.241378  3.220146       10.24662  -4.215965      80.07193 
1 1 1 8   23  18 o 107.2116 50.31454 -3.908788      8.471436  9.971756       8.483067  -30.50201      77.29695 
1 1 1 8   23  19 o 82.94491 41.09475 0.7839598      8.149298  -8.221751      7.745074  15.16508       65.89869 
1 1 1 8   23  20 o 74.98151 37.68749 -8.132419      8.396358  -5.366898      7.334180  -0.1163635     60.59708 
1 1 1 8   23  21 f 99.53732 47.12366 15.55605       12.60962  2.624868       6.071515  12.83614       69.82415 
1 1 1 8   23  22 o 77.92429 38.98135 1.363076       12.91474  -3.395727      6.186508  12.31369       61.07559 
1 1 1 8   23  23 o 86.04317 42.87559 0.000000       0.000000  2.720313       6.468284  ?              ?        
1 1 1 8   23  24 o 69.81860 35.61559 0.000000       0.000000  -5.338143      6.267982  ?              ?        
1 1 1 8   23  25 o 77.90044 38.90599 3.687721       9.652968  2.735680       6.615779  0.6207047      55.97163 
1 1 1 8   24  0  o 120.7311 56.28559 -7.230840      10.05607  15.21030       10.60888  -49.62400      88.50845 
1 1 1 8   24  1  o 148.8493 63.37426 1.432157       9.885991  20.78729       10.68909  -53.65452      95.36082 
1 1 1 8   24  2  o 120.1337 57.40049 9.404412       14.99271  -2.201426      10.32050  23.66216       90.01756 
1 1 1 8   24  3  o 136.6431 64.88003 9.498388       14.13817  5.437529       15.73791  5.440659       95.40590 
1 1 1 8   24  4  o 116.8317 57.63294 -16.97496      14.37866  16.15094       15.75759  -38.15956      91.09740 
1 1 1 8   24  5  o 133.1384 63.38843 19.67256       14.41498  -8.057879      14.37074  40.41646       96.35932 
1 1 1 8   24  6  o 112.1169 54.48785 1.887651       10.45765  -9.278858      14.48147  7.353928       85.24909 
1 1 1 8   24  7  o 153.1006 70.42139 19.00708       16.07883  7.607456       14.73689  16.59351       102.0263 
1 1 1 8   24  8  o 122.5656 60.30431 -1.455874      15.59377  -0.3308108     16.63794  -2.291534      92.06642 
1 1 1 8   24  9  o 132.3847 63.81318 16.43133       15.31248  -8.155419      15.93441  30.49425       96.44240 
1 1 1 8   24  10 o 103.4997 50.36926 -3.849807      8.649858  -2.306234      13.69240  -15.64919      81.70177 
1 1 1 8   24  11 o 113.7076 54.81227 -0.3060037     10.29805  -0.1931319     13.32225  -5.507103      85.34682 
1 1 1 8   24  12 o 123.7608 60.91458 1.820863       11.64404  0.000000       0.000000  ?              ?        
1 1 1 8   24  13 o 116.9928 57.50350 0.000000       0.000000  0.4423006      10.25976  ?              ?        
1 1 1 8   24  14 o 102.6398 49.70868 -13.08219      10.54508  8.113369       9.117719  -33.04288      78.64117 
1 1 1 8   24  15 o 104.6117 50.35740 3.648582       8.437263  -4.451026      11.58668  8.090141       77.13884 
1 1 1 8   24  16 o 97.92596 48.03559 8.418328       9.734697  -11.46503      10.21384  27.95538       75.28478 
1 1 1 8   24  17 o 91.79574 45.09151 -10.51283      8.645179  8.714240       9.132091  -30.79231      71.75626 
1 1 1 8   24  18 o 107.0108 50.37813 8.880303       9.156274  2.495914       8.161677  11.59989       73.96968 
1 1 1 8   24  19 f 76.93690 38.66594 -8.636900      8.512565  -2.374912      7.938554  -5.877983      61.02241 
1 1 1 8   24  20 o 97.81026 46.52673 9.138554       9.740688  3.214763       6.589969  7.606865       67.70223 
1 1 1 8   24  21 o 78.65250 39.29648 -2.370027      13.63599  -1.862761      6.129455  7.973663       60.80122 
1 1 1 8   24  22 o 80.27347 40.29207 -2.540786      13.19068  1.734311       7.031714  -0.3676834     59.35645 
1 1 1 8   24  23 o 76.70760 38.89655 0.000000       0.000000  0.1236509      6.691641  ?              ?        
1 1 1 8   24  24 o 61.70062 31.79218 0.000000       0.000000  -12.17329      6.530360  ?              ?        
1 1 1 8   25  1  o 113.4551 54.08376 -5.578305      10.60198  10.38778       10.48704  -28.08247      83.12336 
1 1 1 8   25  2  o 103.6534 51.36964 -3.554123      15.05645  -4.214308      10.83825  7.709709       80.40600 
1 1 1 8   25  3  o 115.8215 57.29086 9.657755       15.50489  -6.284043      14.92058  15.44334       86.08244 
1 1 1 8   25  4  o 120.5870 59.23756 2.789179       15.71463  2.955687       14.97259  0.2095718      88.14277 
1 1 1 8   25  5  o 127.6124 63.65438 0.000000       0.000000  5.735228       14.41138  ?              ?        
1 1 1 8   25  6  o 100.1940 50.58436 -12.75962      15.92554  -8.295087      14.14137  -0.5216293     79.36434 
1 1 1 8   25  7  o 91.75946 45.43762 -10.70959      8.916132  2.229824       10.62320  -23.61932      74.23529 
1 1 1 8   25  8  o 115.3569 57.20576 0.000000       0.000000  1.243281       10.97334  ?              ?        
1 1 1 8   25  9  o 120.4227 55.50407 0.4052608      8.816360  12.35927       10.67469  -26.21120      84.38983 
1 1 1 8   25  10 o 96.98459 47.56661 -8.566409      8.920812  6.079617       10.89293  -26.86372      76.53885 
1 1 1 8   25  11 o 97.77626 49.68140 -8.887216      15.44159  -16.12374      16.60642  2.927292       77.45217 
1 1 1 8   25  12 o 107.7772 54.30133 -19.38005      16.36972  16.63156       17.13877  -24.83894      82.71122 
1 1 1 8   25  13 o 88.74928 44.30566 -3.728635      9.151875  -8.486375      11.03522  1.106689       70.12272 
1 1 1 8   25  14 o 125.5104 59.27145 12.25989       12.58296  9.822425       11.66213  2.318085       83.50762 
1 1 1 8   25  15 o 87.29119 43.80677 -5.999392      9.711633  -4.161937      11.13435  -4.454468      68.35949 
1 1 1 8   25  16 o 109.3568 52.80729 12.05219       10.39964  1.716759       11.27021  13.63264       75.68539 
1 1 1 8   25  17 o 78.39587 39.39499 1.700071       8.856624  -10.68436      8.203873  15.53754       62.50777 
1 1 1 8   25  18 o 92.07413 45.00222 7.951143       8.895534  -1.692234      8.172940  13.77051       66.82897 
1 1 1 8   25  19 o 78.50171 39.33697 -6.488158      8.784532  -0.1349510     7.711833  -5.344551      60.57207 
1 1 1 8   25  20 o 71.20971 35.91365 -15.58145      10.02251  -0.2359756     6.164660  -6.329971      55.98515 
1 1 1 8   25  21 o 67.99747 34.60376 -10.83909      14.57890  -4.661029      6.120763  6.906219       53.95198 
1 1 1 8   25  22 o 71.11774 36.17194 14.59960       13.52432  -7.488293      6.840595  16.23107       55.86132 
1 1 1 8   25  23 o 71.55830 36.51941 0.000000       0.000000  -0.5074163     6.652238  ?              ?        
1 1 1 8   26  3  o 118.0258 59.63499 0.000000       0.000000  5.905637       14.87174  ?              ?        
1 1 1 8   26  4  o 129.9626 62.64826 15.91654       15.05133  8.148805       15.05463  8.214226       88.44102 
1 1 1 8   26  5  o 98.80614 49.40781 -4.482067      11.21953  -3.798042      14.71854  -5.354240      76.32014 
1 1 1 8   26  6  o 102.8293 50.50818 -3.064738      9.159130  9.954330       15.40788  -18.91772      78.16085 
1 1 1 8   26  7  o 128.0787 58.36250 14.62217       9.502365  1.392583       11.15179  27.69561       84.44874 
1 1 1 8   26  8  o 131.8292 59.12768 8.783604       9.309872  10.76719       10.91948  -1.865822      85.21212 
1 1 1 8   26  9  o 116.6326 54.76511 1.196720       9.191463  12.84486       11.25089  -20.30292      81.57914 
1 1 1 8   26  10 o 95.29723 47.52122 -3.686801      9.141526  -1.973145      16.59237  -10.50114      73.98756 
1 1 1 8   26  11 o 99.77845 48.78975 -3.550471      9.343155  7.444224       10.91387  -16.48295      74.32992 
1 1 1 8   26  12 o 82.94861 41.54218 -2.691369      9.117738  -8.363996      9.044094  6.954346       65.80947 
1 1 1 8   26  13 o 93.70678 45.92262 0.8262170E-01  8.575987  1.051688       9.593544  -2.533241      69.52864 
1 1 1 8   26  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   26  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   26  16 o 74.60513 37.99161 -12.73723      9.445772  -6.943934      10.07106  -5.965286      60.38831 
1 1 1 8   26  17 o 103.8144 49.53376 10.52390       9.501693  5.556905       8.378179  5.976921       69.81921 
1 1 1 8   26  18 o 76.53485 38.66798 -1.942824      9.211028  -3.796474      8.497685  2.507439       58.68200 
1 1 1 8   26  19 o 87.87342 43.49575 8.914684       9.509738  2.733780       8.257545  5.727425       61.77212 
1 1 1 8   26  20 o 82.04471 40.88198 3.735069       11.78392  3.273259       6.783496  -0.2102661E-01 58.85052 
1 1 1 8   26  21 o 90.05859 44.19620 6.125219       15.45463  9.796015       6.493093  -10.86829      59.97593 
1 1 1 8   26  22 o 75.55561 39.16727 6.877275       13.05617  0.000000       0.000000  ?              ?        
1 1 1 8   27  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   27  6  o 99.37528 49.28085 4.787961       9.672651  -9.728880      15.09594  8.903404       73.71131 
1 1 1 8   27  7  o 113.3507 53.91595 1.656803       9.437028  15.28823       11.62772  -19.00977      78.68841 
1 1 1 8   27  8  o 93.82277 46.94965 -0.7757339     9.345547  -6.369603      16.43170  -2.463211      71.38558 
1 1 1 8   27  9  o 99.39035 49.29855 3.144093       9.310384  -1.701704      17.00243  0.6453171      72.88657 
1 1 1 8   27  10 o 99.81065 48.78322 7.093190       9.622788  -0.4859731     10.42796  9.414421       71.66412 
1 1 1 8   27  11 o 112.9615 55.62056 0.000000       0.000000  13.26203       9.738910  ?              ?        
1 1 1 8   27  12 o 86.71701 43.18763 -2.028022      8.889903  0.6243355      9.608228  -3.771790      65.28706 
1 1 1 8   27  13 o 73.25594 37.38416 -5.073826      10.17198  -15.50137      9.555828  8.994514       59.47539 
1 1 1 8   27  14 o 97.74791 49.63057 0.000000       0.000000  9.968819       11.14017  ?              ?        
1 1 1 8   27  15 o 78.91920 40.33171 -1.456891      11.35818  -11.95897      12.35369  4.944099       60.98986 
1 1 1 8   27  16 o 74.70896 37.86133 -12.64800      9.254119  2.790065       8.551207  -12.21481      58.36640 
1 1 1 8   27  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   27  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   27  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   27  20 o 75.29173 39.05944 1.823385       13.60917  0.000000       0.000000  ?              ?        
1 1 1 8   28  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   28  10 f 110.4542 53.89416 17.93131       9.834893  -3.913741      17.10786  23.21491       74.20953 
1 1 1 8   28  11 o 76.10610 39.14972 -15.45331      9.369771  0.000000       0.000000  ?              ?        
1 1 1 8   28  12 o 84.61082 42.32024 -0.1762670     8.975865  0.8155832      9.628225  -1.428337      62.88420 
1 1 1 8   28  13 o 91.91701 46.02869 6.589260       10.87254  4.716835       11.41469  1.604202       65.35659 
1 1 1 8   28  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 8   28  15 o 76.46017 38.79031 -3.936246      9.792870  -0.2603876     9.214355  -2.278526      57.86255 
1 1 1 8   28  16 o 83.98556 42.96350 6.203038       9.706474  0.000000       0.000000  ?              ?        
1 1 1 8   28  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   -23 0  f 126.1158 50.65996 8.680651       7.611218  7.814860       5.176878  -6.721634      73.88551 
1 1 1 9   -23 1  o 80.00093 38.08281 2.829473       5.726942  -2.086352      4.781231  16.63220       60.58324 
1 1 1 9   -23 2  o 74.12016 35.92760 -1.130975      5.421430  -1.960062      4.870168  4.467072       57.56337 
1 1 1 9   -23 3  o 109.3707 53.81818 8.220839       9.070115  0.000000       0.000000  ?              ?        
1 1 1 9   -22 0  o 78.45759 37.35316 1.550638       5.865645  -2.358221      4.426675  18.19958       61.15175 
1 1 1 9   -22 1  o 110.6684 46.26656 1.988787       6.039922  6.363492       4.795586  -18.87180      69.75556 
1 1 1 9   -22 2  o 85.75567 39.96305 -5.517722      5.467472  5.652602       4.958476  -34.70065      63.60921 
1 1 1 9   -22 3  o 94.85963 42.68996 0.3740061      5.630297  3.568073       4.974359  -10.06853      65.94316 
1 1 1 9   -22 4  o 83.42959 38.98475 -2.840905      5.305784  2.442508       4.737741  -15.01630      61.92050 
1 1 1 9   -22 5  o 80.42084 38.29767 -1.668741      5.635162  -0.1996745     4.950565  -1.156105      61.20373 
1 1 1 9   -21 0  o 101.4732 44.04231 2.206794       5.852483  3.205410       4.638934  -1.651627      68.40294 
1 1 1 9   -21 1  o 105.2708 44.93513 1.945485       5.871539  4.227941       4.691786  -8.000366      69.36411 
1 1 1 9   -21 2  o 122.0212 48.14237 0.8140653      5.953211  8.587938       4.932991  -39.29138      73.05535 
1 1 1 9   -21 3  o 95.15186 42.35808 0.3025294      5.444319  2.603773       4.714964  -6.721664      66.68368 
1 1 1 9   -21 4  o 85.59486 39.82402 -4.004141      5.169851  3.550266       5.082501  -26.38648      64.46254 
1 1 1 9   -21 5  o 71.19539 34.71230 -2.665996      5.191759  -3.847535      4.784197  5.902321       57.75007 
1 1 1 9   -21 6  o 89.97349 41.20404 1.591725       5.509774  0.7272097E-01  4.906400  8.010406       65.49745 
1 1 1 9   -21 7  o 89.81361 41.09447 0.7904361      5.395693  0.8500577      4.916266  1.707390       65.04520 
1 1 1 9   -21 8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   -20 0  o 82.18009 39.10854 -1.285361      6.710670  -2.340773      4.727590  15.03991       65.38353 
1 1 1 9   -20 1  o 78.05397 37.39462 -2.749378      5.892275  -2.375093      4.671556  7.269196       62.35889 
1 1 1 9   -20 2  o 81.83102 38.54182 -4.504856      5.698157  0.6398098      4.587478  -9.910660      63.06377 
1 1 1 9   -20 3  o 95.04617 42.40918 -0.6412499     5.714915  2.342626       4.623060  -7.170738      67.47866 
1 1 1 9   -20 4  o 95.88953 42.70801 -2.426675      5.586125  4.129200       4.771214  -23.51310      67.58519 
1 1 1 9   -20 5  o 88.42695 40.37503 2.067390       5.233920  -1.200763      4.668235  16.19878       65.41515 
1 1 1 9   -20 6  o 112.3764 45.43513 0.7800414      5.115398  6.079306       4.716748  -28.27831      71.02061 
1 1 1 9   -20 7  o 73.35219 35.50767 -5.621890      5.347146  -1.119896      4.649348  -8.029655      59.13429 
1 1 1 9   -20 8  o 90.07667 40.93636 -2.007051      5.421151  2.502492       4.648184  -13.77467      65.30370 
1 1 1 9   -20 9  o 79.17125 37.59930 -2.058981      5.288132  -1.178729      4.754947  0.4949265      61.51054 
1 1 1 9   -19 0  o 99.16275 43.64757 1.889881       5.684772  0.6485999      4.831801  10.22955       70.52968 
1 1 1 9   -19 1  o 94.32682 45.47570 -10.17778      11.17508  -1.570133      6.490726  4.731949       75.38264 
1 1 1 9   -19 2  o 143.6893 59.74278 7.080558       12.68881  7.045103       7.124438  1.621536       93.00823 
1 1 1 9   -19 3  o 108.5753 50.22252 -2.382528      11.17105  1.304730       6.530741  6.735397       81.08508 
1 1 1 9   -19 4  o 110.8970 51.52623 6.280535       11.44621  -1.483082      7.103089  29.95595       84.56638 
1 1 1 9   -19 5  o 119.8813 54.82184 0.000000       0.000000  2.809903       6.455649  ?              ?        
1 1 1 9   -19 6  o 97.33067 45.82139 -4.557918      7.634667  1.906770       6.710990  -13.64072      73.67436 
1 1 1 9   -19 7  o 84.77801 39.27774 -3.136005      5.392098  1.026382       4.531267  -9.984215      64.01889 
1 1 1 9   -19 8  o 123.7095 49.22824 -5.762202      6.817956  10.17001       4.946228  -71.69363      73.41373 
1 1 1 9   -19 9  o 93.80096 42.63197 1.705832       6.972236  0.1381718      4.579902  16.19087       69.71140 
1 1 1 9   -19 10 o 91.02701 43.74904 -2.325485      5.101028  0.000000       0.000000  ?              ?        
1 1 1 9   -19 11 o 92.24444 41.72599 5.200062       5.391321  -2.943769      4.871575  36.44537       68.02856 
1 1 1 9   -18 0  o 93.82413 42.02288 3.219992       5.544092  -2.360679      4.654674  33.07263       70.30288 
1 1 1 9   -18 1  o 142.5015 54.70024 5.376187       6.856283  6.456419       6.718628  -5.497818      86.74382 
1 1 1 9   -18 2  o 91.57757 42.92070 -5.339821      6.211125  1.319936       6.059831  -21.55085      71.34837 
1 1 1 9   -18 3  o 167.8592 56.81385 12.76450       7.423038  6.340657       6.704283  36.33437       91.56342 
1 1 1 9   -18 4  f 107.8706 47.81964 2.061603       6.622948  0.4112764      6.120533  9.190002       77.12206 
1 1 1 9   -18 5  o 123.1745 51.81668 2.433499       6.709643  4.433394       6.742901  -9.016357      82.22276 
1 1 1 9   -18 6  o 135.4149 54.02603 4.527041       6.644924  6.298259       7.046336  -9.133286      85.11767 
1 1 1 9   -18 7  o 100.1437 43.18634 3.949390       5.174040  -0.5728772     4.631187  26.50182       70.16571 
1 1 1 9   -18 8  o 117.2261 51.75788 2.421840       7.605554  3.174543       7.163473  -1.417435      81.29777 
1 1 1 9   -18 9  o 134.5375 60.39267 0.000000       0.000000  6.022750       7.407820  ?              ?        
1 1 1 9   -18 10 o 100.0124 49.18599 -6.053325      7.541781  0.000000       0.000000  ?              ?        
1 1 1 9   -18 11 o 120.2297 53.28053 2.259822       7.677716  5.891115       8.110313  -12.13207      82.33213 
1 1 1 9   -18 12 o 87.12421 41.36381 -3.488760      8.501499  -1.279696      4.942539  12.57551       69.01363 
1 1 1 9   -17 0  o 99.34710 41.80027 -3.310459      4.249970  6.111223       4.519059  -62.41587      68.17809 
1 1 1 9   -17 1  o 142.0660 47.36428 4.364124       5.009562  6.147974       4.781553  -13.49588      77.95271 
1 1 1 9   -17 2  f 113.5387 45.81286 1.812198       5.292052  2.844065       4.708355  -2.515106      74.37768 
1 1 1 9   -17 3  o 144.2939 46.98495 4.462462       5.325272  6.305974       4.441430  -12.85904      77.62971 
1 1 1 9   -17 4  o 85.24689 39.33208 1.711499       5.813118  -3.278986      4.241248  36.47274       68.57910 
1 1 1 9   -17 5  o 118.4523 46.21950 3.465809       5.821528  3.143712       4.318027  9.006203       75.35179 
1 1 1 9   -17 6  o 106.9599 44.59333 1.312710       5.682212  2.371002       4.391685  2.005417       72.36243 
1 1 1 9   -17 7  o 106.6229 44.71164 -0.6782610E-01 5.236982  3.431844       4.763424  -16.33546      72.07842 
1 1 1 9   -17 8  o 157.1955 54.66444 5.050924       6.786000  9.838233       6.293687  -29.29173      87.33620 
1 1 1 9   -17 9  o 96.86768 46.23339 0.000000       0.000000  -3.132357      5.483419  ?              ?        
1 1 1 9   -17 10 o 112.0825 48.55800 11.42766       7.365943  -2.704165      5.491476  69.75966       81.14280 
1 1 1 9   -17 11 o 95.35728 43.69606 -1.445065      6.535626  0.5434273      5.326995  -0.1843109     71.05579 
1 1 1 9   -17 12 o 85.09676 40.07866 -1.964241      5.194118  -1.474808      5.780206  -5.675858      66.24145 
1 1 1 9   -17 13 o 133.6262 54.63713 8.692492       5.937422  -1.680809      9.823237  32.52513       82.99195 
1 1 1 9   -17 14 f 128.0803 57.20390 6.827215       9.055783  3.376089       9.503611  8.999489       87.11040 
1 1 1 9   -16 0  o 116.5579 44.23268 2.412427       4.262188  3.110226       4.563263  -7.460068      72.46647 
1 1 1 9   -16 1  o 303.2459 28.12554 21.67363       5.149877  20.85886       5.314818  7.571381       59.00557 
1 1 1 9   -16 2  o 382.2425 24.36898 34.55103       5.644167  32.04302       5.858018  16.64023       50.29255 
1 1 1 9   -16 3  o 165.9060 46.59536 4.106425       5.196454  9.710095       4.809436  -48.71027      78.36922 
1 1 1 9   -16 4  o 159.5858 46.73075 3.229251       5.309642  9.198236       4.607242  -49.50888      77.24225 
1 1 1 9   -16 5  o 142.3585 47.78361 4.078513       5.929521  5.798609       4.373352  -7.657043      79.09267 
1 1 1 9   -16 6  o 112.1532 45.16606 3.773469       5.619719  1.365068       4.293596  24.05167       74.72935 
1 1 1 9   -16 7  o 105.5847 43.80745 -2.110173      5.320611  4.154562       4.270147  -28.20908      70.33308 
1 1 1 9   -16 8  o 92.08892 40.20960 -0.6494024     4.898333  1.069018       3.937176  -0.8572311     66.17962 
1 1 1 9   -16 9  o 137.3798 45.92486 0.6716533      4.939939  8.456043       4.318928  -58.84623      72.36217 
1 1 1 9   -16 10 o 76.41836 36.04206 -1.202246      4.849082  -3.181649      4.130386  15.35243       61.67726 
1 1 1 9   -16 11 o 87.22356 39.36108 -2.259115      4.773854  1.229615       4.297765  -12.51160      64.75436 
1 1 1 9   -16 12 o 86.91260 39.27382 3.119350       4.901733  -2.707092      4.207187  33.57246       65.77181 
1 1 1 9   -16 13 f 96.17966 43.29525 4.954624       6.810852  -1.933994      4.644325  41.20545       73.74844 
1 1 1 9   -16 14 o 79.53881 38.83844 -4.090832      7.897700  -5.495646      5.389493  19.58864       67.09840 
1 1 1 9   -16 15 o 109.7916 48.83849 0.5251017      8.304732  2.851249       5.752939  0.4404297      77.43082 
1 1 1 9   -15 0  o 99.52826 41.73514 1.191877       4.229501  0.2576582      4.463476  3.558472       69.10541 
1 1 1 9   -15 1  o 101.7973 42.75023 0.4714832      4.428237  1.142996       4.717544  -7.195107      70.85568 
1 1 1 9   -15 2  o 102.2558 42.46641 3.658709       4.437870  -1.638630      4.425452  34.96913       69.84070 
1 1 1 9   -15 3  o 279.4521 28.94091 20.04240       4.933788  15.87987       4.955023  35.82887       61.07941 
1 1 1 9   -15 4  o 97.45282 42.21426 -3.756284      4.821871  3.623076       4.595150  -40.02962      69.78836 
1 1 1 9   -15 5  o 132.0673 46.01448 7.918641       5.062900  1.289496       4.284405  58.13300       75.37675 
1 1 1 9   -15 6  o 112.6048 45.22131 4.730589       5.687040  0.5420546      4.260758  38.25260       75.72501 
1 1 1 9   -15 7  o 86.24415 39.25587 -2.475499      5.220434  -0.5462039     4.175503  2.036049       66.35031 
1 1 1 9   -15 8  o 83.48853 38.40672 -1.125105      5.398347  -1.921039      4.036676  18.06393       66.07060 
1 1 1 9   -15 9  o 176.3900 42.74779 8.085080       5.219038  8.215340       4.200790  -4.648911      77.75539 
1 1 1 9   -15 10 o 92.18159 40.22479 1.326823       4.685068  -0.4126119     4.056966  15.42775       66.68469 
1 1 1 9   -15 11 o 103.2996 42.81925 2.371983       4.855671  1.117249       4.202248  12.46987       69.99102 
1 1 1 9   -15 12 o 126.0772 45.94888 3.723460       4.913767  4.540576       4.446476  -4.363678      74.36182 
1 1 1 9   -15 13 o 105.8237 43.55552 0.8126100E-01  4.761210  4.064238       4.463665  -21.97676      69.84427 
1 1 1 9   -15 14 o 173.1854 46.94151 6.865283       5.331832  10.33126       5.018433  -30.76085      80.76817 
1 1 1 9   -15 15 o 144.1111 49.61456 7.046342       5.925402  6.064055       4.946745  5.491623       80.31528 
1 1 1 9   -15 16 o 117.1530 47.60289 -0.7339557     6.131259  6.381004       4.900915  -32.43060      74.30288 
1 1 1 9   -14 0  o 292.0442 27.19583 21.55783       4.791087  16.90384       4.953360  38.54425       57.10630 
1 1 1 9   -14 1  o 82.30596 37.33349 -1.992834      4.063109  -0.8722389     4.192513  -7.838074      63.68839 
1 1 1 9   -14 2  o 72.13044 34.67759 -4.104572      4.413105  -4.852489      4.679361  -0.6041489     61.19535 
1 1 1 9   -14 3  o 452.5910 22.33767 46.75257       6.173244  44.78311       6.333764  10.53433       45.33309 
1 1 1 9   -14 4  o 347.9035 24.94024 33.11341       5.412004  21.71116       5.283682  76.54688       52.29165 
1 1 1 9   -14 5  o 232.9689 36.92723 16.01628       5.543230  10.34548       4.844622  51.43622       74.48095 
1 1 1 9   -14 6  o 144.6366 45.88374 7.601779       4.991737  3.100588       4.322372  42.58102       76.71004 
1 1 1 9   -14 7  o 500.8495 22.42211 53.86520       7.383608  58.53201       6.582410  -24.83340      46.23090 
1 1 1 9   -14 8  o 182.0558 42.59202 4.796016       5.324757  10.52644       4.289467  -54.34833      75.39345 
1 1 1 9   -14 9  o 111.4857 43.93696 -0.7140875     5.026122  4.129831       4.064981  -24.72295      70.96877 
1 1 1 9   -14 10 o 157.9246 44.35751 1.919214       4.768230  10.17682       4.313067  -73.34624      71.92050 
1 1 1 9   -14 11 o 129.2918 49.77517 4.204904       5.056653  3.566260       6.458910  -2.225189      80.75008 
1 1 1 9   -14 12 o 181.0368 46.78935 1.692507       6.272324  12.84113       4.663060  -88.57549      75.55573 
1 1 1 9   -14 13 o 118.8350 44.50934 0.5101694      4.591740  5.933628       4.279890  -37.59646      71.08538 
1 1 1 9   -14 14 o 162.8478 45.93439 6.524489       4.969690  8.365265       4.720381  -16.73701      78.63578 
1 1 1 9   -14 15 o 102.3824 43.51352 2.701186       5.208087  0.7551363      4.514103  14.81404       70.71214 
1 1 1 9   -14 16 o 94.09290 42.13749 2.083438       5.765594  -0.7771751     4.573316  20.37043       69.53128 
1 1 1 9   -14 17 f 93.66566 42.17234 -2.762168      5.939103  2.042802       4.612304  -11.26117      68.27348 
1 1 1 9   -13 0  o 135.7706 41.77205 5.220538       3.611076  3.103815       4.170672  17.35945       70.19123 
1 1 1 9   -13 1  o 108.4461 41.53185 6.244367       3.836789  -2.573549      3.979365  69.11549       65.25126 
1 1 1 9   -13 2  o 377.7354 22.61454 32.91403       5.157239  30.75413       5.400593  13.95959       46.08544 
1 1 1 9   -13 3  o 370.0385 23.88417 26.57068       5.210360  35.57512       5.733383  -54.84454      48.67440 
1 1 1 9   -13 4  o 136.4007 44.75325 4.449711       4.218481  3.917698       4.544503  2.576660       74.74329 
1 1 1 9   -13 5  o 63.92273 31.32582 -8.037864      4.099336  -2.989739      4.323285  -21.49358      57.10349 
1 1 1 9   -13 6  o 124.4008 46.85126 0.2674182      4.859535  5.640512       4.983404  -40.43384      76.41445 
1 1 1 9   -13 7  o 118.6041 44.76035 6.039223       4.849442  0.4620231E-01  4.210254  51.68409       73.43433 
1 1 1 9   -13 8  o 277.3436 29.85588 15.88963       5.874585  18.70376       4.505060  -31.80511      66.48074 
1 1 1 9   -13 9  o 136.7495 45.43292 -3.642282      5.128397  9.468289       4.059791  -93.31378      67.17538 
1 1 1 9   -13 10 o 169.8942 45.25159 7.989225       6.295093  7.003129       4.094526  9.944946       81.61156 
1 1 1 9   -13 11 o 269.9591 46.41002 18.47349       5.297495  0.000000       0.000000  ?              ?        
1 1 1 9   -13 12 o 152.5625 51.69104 0.000000       0.000000  6.248009       4.118665  ?              ?        
1 1 1 9   -13 13 o 96.24245 40.91821 -0.2838819     4.365321  1.885931       4.177508  -11.49845      67.08851 
1 1 1 9   -13 14 o 95.77637 41.16260 4.578409       4.751628  -2.128509      4.123985  45.20335       68.43687 
1 1 1 9   -13 15 f 88.60411 39.60251 0.5320030      4.681108  -0.7719427     4.254539  10.38269       65.57616 
1 1 1 9   -13 16 o 116.7335 45.57010 -0.6142074     4.979764  6.628505       4.584026  -44.46059      72.03048 
1 1 1 9   -13 17 o 72.15940 35.11899 -5.614867      5.760505  -3.840881      4.520605  5.994896       60.54826 
1 1 1 9   -13 18 o 135.5628 49.90228 8.110395       6.350663  3.972560       4.949263  25.98834       80.74538 
1 1 1 9   -12 0  o 198.1623 31.23541 9.434875       3.573837  8.622559       3.868860  10.18210       63.20101 
1 1 1 9   -12 1  o 120.7518 41.39314 4.728170       3.588121  1.275216       3.905655  29.16833       67.76032 
1 1 1 9   -12 2  o 180.9364 36.03173 8.927996       3.828147  6.365440       3.980266  28.83347       68.30601 
1 1 1 9   -12 3  o 96.01026 39.16125 -0.6227839     3.658715  2.550499       3.703182  -24.67397      64.70523 
1 1 1 9   -12 4  o 308.8537 24.42979 20.44798       4.483164  22.52980       4.819838  -14.65198      49.99297 
1 1 1 9   -12 5  o 352.7061 22.94823 24.69105       4.863789  31.24581       5.134398  -42.38486      46.76731 
1 1 1 9   -12 6  o 360.8699 33.58616 0.000000       0.000000  29.62681       5.255302  ?              ?        
1 1 1 9   -12 7  o 206.8686 36.53242 10.94950       4.515211  8.996387       4.518090  20.45392       71.83871 
1 1 1 9   -12 8  o 131.4215 45.31856 1.090425       4.949997  5.614252       4.124492  -30.72398      73.87389 
1 1 1 9   -12 9  o 177.3651 41.25205 11.15030       5.291363  5.620954       3.917554  55.96751       75.52454 
1 1 1 9   -12 10 o 263.1689 42.06435 0.000000       0.000000  16.60348       4.692257  ?              ?        
1 1 1 9   -12 11 o 374.8354 33.77442 33.73720       7.395216  31.56782       8.205932  19.31995       71.99937 
1 1 1 9   -12 12 o 146.8272 43.18401 6.391554       4.538481  4.630195       3.918788  18.47676       73.93031 
1 1 1 9   -12 13 o 257.6359 30.09774 14.20089       5.052745  16.79146       4.444715  -29.47722      65.19546 
1 1 1 9   -12 14 o 195.3832 39.67483 13.12769       4.948422  6.973407       4.390038  59.01398       74.79247 
1 1 1 9   -12 15 o 84.49029 38.50280 -6.589411      4.461143  4.416508       4.444350  -55.51373      65.11869 
1 1 1 9   -12 16 o 117.8517 44.84974 1.803991       4.779490  4.549874       4.327374  -16.82862      72.19363 
1 1 1 9   -12 17 o 197.5315 41.34216 8.716613       5.079101  11.99590       4.743874  -34.49194      78.25228 
1 1 1 9   -12 18 o 90.24776 40.84814 2.166012       5.715806  -1.665163      4.367691  26.79697       68.59029 
1 1 1 9   -12 19 o 136.8037 49.88475 5.078938       6.373877  5.956822       4.904050  -4.370850      79.87046 
1 1 1 9   -11 0  o 261.4417 24.18757 18.32181       3.823575  12.15549       3.935283  56.34120       51.43150 
1 1 1 9   -11 1  o 453.1924 18.38410 47.93386       5.065005  42.84275       5.255245  26.19577       37.20558 
1 1 1 9   -11 2  o 339.4966 21.19189 26.46224       4.254389  24.67288       4.653817  13.16232       43.33419 
1 1 1 9   -11 3  o 501.8463 18.11188 56.12830       5.496586  55.33685       5.771646  4.087372       36.51912 
1 1 1 9   -11 4  o 403.1473 19.77549 36.96830       4.874639  35.16267       4.988070  10.56604       39.98567 
1 1 1 9   -11 5  o 464.1201 18.68764 44.02966       5.184382  52.08247       5.575380  -39.07043      37.67067 
1 1 1 9   -11 6  o 138.3984 40.95061 3.838666       3.634233  5.217677       3.905645  -15.71298      69.82127 
1 1 1 9   -11 7  o 238.1729 28.37511 16.05486       4.295613  10.18046       3.946364  56.63745       59.01178 
1 1 1 9   -11 8  o 155.1809 41.00621 6.293571       4.267424  5.220942       3.787476  12.92444       72.14951 
1 1 1 9   -11 9  x ?        ?        -21.07515      5.156851  -12.30709      4.291133  ?              ?        
1 1 1 9   -11 10 o 270.0854 38.12325 0.000000       0.000000  17.00113       4.390941  ?              ?        
1 1 1 9   -11 11 o 121.7905 44.52929 4.326209       4.914859  2.134422       3.995019  24.79106       74.05170 
1 1 1 9   -11 12 o 207.1774 38.47749 7.257256       5.795436  11.85238       4.138511  -47.85910      75.59960 
1 1 1 9   -11 13 o 105.6159 42.00458 2.321284       4.389121  1.317944       3.894978  11.86753       69.20545 
1 1 1 9   -11 14 o 225.0528 37.99685 9.145378       6.579003  13.81603       4.330935  -53.90320      78.39365 
1 1 1 9   -11 15 o 275.2760 28.46346 17.59514       4.862061  18.07671       4.721770  -5.515686      60.49506 
1 1 1 9   -11 16 o 86.92509 38.87686 1.092206       4.360305  -1.934321      4.238665  17.32796       64.86298 
1 1 1 9   -11 17 o 110.3349 43.79166 0.9124513      4.799474  3.765996       4.198959  -14.97721      70.55708 
1 1 1 9   -11 18 o 104.4150 43.21010 0.3630751      4.779231  3.258144       4.378413  -14.68469      69.63748 
1 1 1 9   -11 19 o 122.9972 46.91195 1.183737       5.503433  6.034349       4.567205  -27.23788      74.20918 
1 1 1 9   -11 20 o 114.5435 46.58026 8.498477       6.008708  -0.3049613E-01 4.632987  53.17793       76.31071 
1 1 1 9   -10 0  o 444.2518 17.59075 45.30338       4.881228  42.02603       4.796000  16.81165       35.40844 
1 1 1 9   -10 1  o 725.3281 17.27599 111.7704       7.566976  120.9372       7.997016  -28.37872      34.73484 
1 1 1 9   -10 2  o 307.3945 21.13552 21.75406       3.901134  20.17923       4.119065  12.38559       43.09437 
1 1 1 9   -10 3  o 831.4624 17.78357 148.7261       8.961850  156.8596       9.398290  -21.84271      35.74899 
1 1 1 9   -10 4  o 350.6112 20.23586 26.07857       4.158987  28.77296       4.646238  -16.76968      40.98981 
1 1 1 9   -10 5  o 709.5590 17.24093 106.0789       7.251789  117.2469       7.977324  -35.02863      34.70314 
1 1 1 9   -10 6  o 408.1762 18.62799 39.68616       4.665730  34.03865       4.743593  32.03104       37.73600 
1 1 1 9   -10 7  o 61.43795 29.57768 -2.627796      3.229831  -4.404068      3.439325  4.783958       52.48942 
1 1 1 9   -10 8  o 348.7091 19.98440 24.01348       4.228306  30.27772       4.385500  -41.16467      40.59607 
1 1 1 9   -10 9  o 318.1369 23.00402 20.46100       4.650932  24.48082       4.379520  -30.26712      47.48100 
1 1 1 9   -10 10 o 157.7849 48.13799 1.559666       8.321439  6.830469       4.041164  -11.07309      84.49113 
1 1 1 9   -10 11 o 70.54144 33.66661 -2.465945      4.759942  -4.391909      3.670892  23.70366       60.67808 
1 1 1 9   -10 12 o 246.7579 30.03973 8.090875       4.829599  18.45754       4.235659  -101.3677      65.61681 
1 1 1 9   -10 13 o 242.0476 28.65332 10.58248       4.438710  15.82600       4.028778  -53.88893      61.67281 
1 1 1 9   -10 14 o 101.5514 40.84842 -2.165388      4.093894  4.590856       3.805092  -46.22820      65.78029 
1 1 1 9   -10 15 o 183.4209 38.60436 10.78760       4.538023  6.381853       4.015993  44.94832       72.23406 
1 1 1 9   -10 16 o 207.4543 35.81831 11.31053       4.510447  9.916225       4.378156  13.79218       72.08794 
1 1 1 9   -10 17 o 109.3776 43.25724 1.505065       4.469111  3.044253       4.233132  -8.939674      70.27049 
1 1 1 9   -10 18 o 173.3897 43.17216 8.889837       4.820315  7.406007       4.452589  12.72197       77.51406 
1 1 1 9   -10 19 o 113.0888 44.61906 3.841072       5.025903  2.183579       4.289738  14.46323       72.35405 
1 1 1 9   -10 20 o 161.7081 47.38662 3.707242       5.363906  10.89994       4.800395  -58.73925      77.16805 
1 1 1 9   -10 21 o 152.4138 47.41762 3.775532       5.415977  9.269688       4.600841  -43.42491      76.71455 
1 1 1 9   -9  0  o 109.7210 38.40845 1.852428       3.149746  3.116377       3.305327  -14.15218      63.66245 
1 1 1 9   -9  1  o 349.9862 18.76702 22.28877       3.945374  32.60381       4.184116  -67.46985      38.27810 
1 1 1 9   -9  2  o 419.6196 17.62967 39.68592       4.636545  38.21910       4.523079  7.857452       35.49101 
1 1 1 9   -9  3  o 360.0258 18.62864 28.16359       4.062767  29.27966       4.235019  -6.848694      37.58733 
1 1 1 9   -9  4  o 469.3690 17.12876 45.12203       4.758985  52.91327       5.232268  -37.34625      34.44092 
1 1 1 9   -9  5  o 132.6258 47.73117 0.000000       0.000000  3.480414       3.543242  ?              ?        
1 1 1 9   -9  6  o 205.0788 28.02568 9.058812       3.229764  10.16739       3.778693  -10.92172      57.71835 
1 1 1 9   -9  7  o 465.4333 16.91488 48.76852       4.840164  46.90437       4.911637  9.289581       34.03273 
1 1 1 9   -9  8  o 282.7138 21.54464 16.03830       3.614241  19.88006       3.902073  -30.83609      43.89413 
1 1 1 9   -9  9  o 449.3152 17.28327 43.36495       4.781566  46.00481       4.835288  -13.40524      34.79763 
1 1 1 9   -9  10 o 283.4499 24.21119 18.30346       4.407258  17.73436       4.048245  3.617279       49.71170 
1 1 1 9   -9  11 o 328.5282 23.44587 22.39990       5.110633  25.35856       4.450856  -22.76770      48.85595 
1 1 1 9   -9  12 o 237.6555 33.71510 8.213385       5.315984  16.33954       4.458430  -80.07895      70.62594 
1 1 1 9   -9  13 o 236.9235 30.62836 10.95911       4.975824  14.10699       3.981075  -35.40771      66.00999 
1 1 1 9   -9  14 o 91.02557 38.38712 2.040152       4.067765  -0.6734864     3.426362  26.89361       64.50900 
1 1 1 9   -9  15 o 130.5561 42.71571 4.843102       4.130241  3.345062       3.853258  15.38696       71.22781 
1 1 1 9   -9  16 o 394.0067 21.21979 33.89842       5.223977  36.27289       5.112241  -14.60867      43.39892 
1 1 1 9   -9  17 o 115.8002 43.52278 1.675897       4.308523  4.115260       4.177042  -17.65993      70.75278 
1 1 1 9   -9  18 o 105.1609 42.64676 -1.262539      4.381610  4.883811       4.290660  -40.22846      68.84593 
1 1 1 9   -9  19 o 109.5255 43.37700 3.413717       4.704806  1.809132       4.107951  14.43484       70.56335 
1 1 1 9   -9  20 o 89.74269 39.88419 1.100943       4.905777  -0.7224253     4.101728  16.18452       66.25150 
1 1 1 9   -9  21 o 97.27000 41.36504 5.862192       4.888188  -1.618982      3.978640  50.39926       68.58219 
1 1 1 9   -9  22 o 117.5258 47.03264 1.737110       5.497282  5.008743       4.941838  -16.64935      74.54317 
1 1 1 9   -8  0  o 239.8597 23.96650 14.07061       3.458258  11.71260       3.581535  23.71843       49.89412 
1 1 1 9   -8  1  o 426.7741 17.03086 39.80445       4.410298  40.87621       4.594642  -5.439606      34.31003 
1 1 1 9   -8  2  o 738.0645 16.32809 120.0941       7.441978  120.4966       7.509682  -1.150024      32.82767 
1 1 1 9   -8  3  o 234.2120 23.96965 12.05425       3.426308  12.58521       3.440544  -5.303589      49.41348 
1 1 1 9   -8  4  o 444.7214 17.25860 40.19875       4.649880  47.57618       4.861353  -37.73352      34.75811 
1 1 1 9   -8  5  o 442.8600 16.94440 43.71618       4.514627  42.87537       4.790202  4.738617       34.16281 
1 1 1 9   -8  6  f 701.3578 16.73205 115.8911       7.366434  101.3189       7.195688  47.37384       33.65202 
1 1 1 9   -8  7  o 184.2621 28.68868 9.241163       3.121869  6.110804       3.225585  38.38324       57.65521 
1 1 1 9   -8  8  o 432.0951 17.02689 44.10999       4.528891  38.28685       4.581385  31.03522       34.36943 
1 1 1 9   -8  9  o 405.3053 17.31423 37.18543       4.300086  35.41054       4.387433  10.19797       34.89196 
1 1 1 9   -8  10 o 494.5628 16.68082 57.80762       5.261350  50.70521       4.971270  32.46579       33.54319 
1 1 1 9   -8  11 o 691.4692 16.87363 109.6669       7.441502  101.9171       7.049686  25.10272       33.94149 
1 1 1 9   -8  12 o 723.3624 18.01542 119.5975       8.499917  112.2661       7.723401  22.10992       36.31849 
1 1 1 9   -8  13 o 216.8882 45.59289 0.000000       0.000000  11.21558       4.199527  ?              ?        
1 1 1 9   -8  14 o 151.8792 42.38168 5.073753       5.028778  5.744379       3.605499  -0.8391571     74.30009 
1 1 1 9   -8  15 o 312.7340 22.59049 21.51324       4.474779  22.43324       4.240492  -7.782928      46.33218 
1 1 1 9   -8  16 o 239.7221 28.20291 10.80496       4.070509  15.84604       4.158405  -49.60120      59.57497 
1 1 1 9   -8  17 o 423.2240 20.40555 41.40495       5.464221  39.54638       5.226464  9.079437       41.58092 
1 1 1 9   -8  18 o 149.7613 43.36657 3.464045       4.200052  8.289544       4.321204  -45.71927      72.81634 
1 1 1 9   -8  19 o 94.66126 40.35226 1.793032       4.413159  -0.4269725E-02 3.963420  15.07162       66.52252 
1 1 1 9   -8  20 o 108.9864 42.81070 1.041417       4.670471  3.613582       3.896660  -12.70493      68.99171 
1 1 1 9   -8  21 o 256.7650 31.36755 20.77701       5.191890  12.57259       4.639591  70.17264       67.67108 
1 1 1 9   -8  22 o 157.1572 47.41234 5.014937       5.885831  8.579881       4.431047  -30.10521      78.29630 
1 1 1 9   -7  0  o 345.6501 18.21244 25.90840       3.822450  27.29964       3.963841  -8.926910      36.83900 
1 1 1 9   -7  1  o 333.5385 21.63847 27.55647       5.167133  23.33875       3.971078  25.25760       44.81342 
1 1 1 9   -7  2  o 343.7024 25.66687 26.86436       5.417803  26.41356       5.447940  3.186829       52.58318 
1 1 1 9   -7  3  o 157.5712 42.85436 5.188606       4.224318  6.804341       4.377007  -16.61426      74.53133 
1 1 1 9   -7  4  o 1084.516 27.40936 280.4927       19.39811  250.1454       17.58470  59.53259       55.55481 
1 1 1 9   -7  5  o 359.2368 24.40849 29.32901       5.382596  28.38426       5.431604  6.253662       49.68846 
1 1 1 9   -7  6  o 376.2117 23.40155 27.51398       4.988973  37.38314       6.024874  -57.78778      47.47443 
1 1 1 9   -7  7  o 121.7978 43.19959 3.677389       3.795989  2.003937       4.463471  8.224670       71.46384 
1 1 1 9   -7  8  o 247.0926 31.99983 17.42657       4.835634  10.38665       4.745151  66.24225       66.44090 
1 1 1 9   -7  9  o 501.9294 22.29073 52.57083       6.703800  59.58377       7.165358  -31.38159      44.94502 
1 1 1 9   -7  10 o 125.8603 44.57117 0.3536673      4.213827  6.460910       4.504231  -54.22346      72.43062 
1 1 1 9   -7  11 o 530.6319 19.02167 71.37920       7.765268  57.99788       5.376159  53.01425       39.68999 
1 1 1 9   -7  12 o 319.3311 25.65895 22.30370       4.443825  23.84532       5.965827  -6.703583      54.60020 
1 1 1 9   -7  13 o 235.7817 29.26923 12.79879       4.772245  12.47214       3.777941  -0.1233826     61.89901 
1 1 1 9   -7  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   -7  15 o 181.2240 34.95595 7.667253       3.929156  7.752903       3.659674  -1.369278      67.38251 
1 1 1 9   -7  16 o 176.2551 36.51806 4.306039       3.979483  10.18759       3.753096  -64.42091      66.49926 
1 1 1 9   -7  17 o 328.7883 22.12873 25.58010       4.575125  23.34110       4.403705  15.14099       45.27781 
1 1 1 9   -7  18 o 100.8703 40.59098 -1.931553      4.039845  4.622530       3.762460  -44.70729      65.23529 
1 1 1 9   -7  19 o 473.3147 20.17983 53.96178       5.930055  47.59478       5.892802  31.12500       41.23969 
1 1 1 9   -7  20 o 149.8054 43.92739 10.71613       4.697050  2.476469       4.063336  75.61963       72.27444 
1 1 1 9   -7  21 o 81.91911 37.16729 -2.946475      4.471345  0.9297690      3.796461  -12.45966      61.64299 
1 1 1 9   -7  22 o 169.4534 41.02023 5.913684       4.648975  9.193826       3.962962  -35.53951      73.05196 
1 1 1 9   -7  23 o 131.0037 47.06765 9.311790       5.770108  2.545648       4.291959  48.20636       77.48540 
1 1 1 9   -6  0  f 287.4978 27.90009 18.16606       4.802505  19.60400       5.032007  -10.75125      57.97417 
1 1 1 9   -6  1  o 319.2043 25.11357 24.17296       4.827843  21.80576       5.044681  18.39056       51.91308 
1 1 1 9   -6  2  o 268.8856 29.41009 10.64603       4.592236  23.87793       5.098465  -113.4320      63.08324 
1 1 1 9   -6  3  o 161.7162 43.75330 0.2243866      4.309711  13.70318       4.705775  -125.2951      67.27625 
1 1 1 9   -6  4  o 161.5686 32.60052 8.074489       3.134263  4.163626       3.175258  48.17535       60.56717 
1 1 1 9   -6  5  o 303.6948 19.24229 20.95393       3.571614  20.16618       3.642180  6.225555       39.08656 
1 1 1 9   -6  6  o 326.8849 18.51147 22.44726       3.632029  25.21133       3.854469  -18.98697      37.44775 
1 1 1 9   -6  7  o 393.7177 16.66254 37.02110       4.049453  31.51966       4.071258  32.18445       33.68498 
1 1 1 9   -6  8  o 647.7978 21.89812 93.01022       6.213306  0.000000       0.000000  ?              ?        
1 1 1 9   -6  9  o 652.3483 21.89939 94.20782       6.257442  0.000000       0.000000  ?              ?        
1 1 1 9   -6  10 o 300.2611 19.77728 22.36880       3.623809  17.50368       3.703836  37.79440       40.54574 
1 1 1 9   -6  11 o 315.2008 19.97093 23.29605       3.858174  20.74657       3.911884  18.83255       40.53875 
1 1 1 9   -6  12 o 378.6588 24.80893 32.00336       4.097876  0.000000       0.000000  ?              ?        
1 1 1 9   -6  13 o 93.88737 41.26385 -0.6886445     5.327477  -0.6079500     4.160731  13.58464       70.33916 
1 1 1 9   -6  14 o 732.0408 26.85852 113.4681       14.21534  123.0101       10.81974  -37.52625      57.23168 
1 1 1 9   -6  15 o 214.9227 58.94104 0.000000       0.000000  11.40449       5.722196  ?              ?        
1 1 1 9   -6  16 o 170.1727 49.01302 4.357446       5.881527  9.085284       5.108417  -37.14821      82.72603 
1 1 1 9   -6  17 o 156.4992 50.69046 9.263335       5.468242  2.284096       5.782166  52.26866       82.48885 
1 1 1 9   -6  18 o 128.9980 52.01183 -2.122981      5.705233  11.32580       7.453043  -88.15123      86.38583 
1 1 1 9   -6  19 o 288.7092 31.28786 20.76046       7.424092  19.41857       4.581655  -15.56049      74.88063 
1 1 1 9   -6  20 o 199.8190 36.11407 13.00455       4.729768  7.656571       3.987909  51.66608       71.10152 
1 1 1 9   -6  21 o 107.1049 41.56026 1.662585       4.294817  2.989721       3.674210  -5.534592      67.46098 
1 1 1 9   -6  22 f 229.8432 31.61537 11.36942       4.621427  14.43058       4.187253  -36.91299      67.91917 
1 1 1 9   -6  23 o 104.7914 43.37520 -2.075058      5.012708  5.262170       4.278096  -37.70527      68.69103 
1 1 1 9   -6  24 o 140.7263 45.93681 7.196730       5.229836  5.047743       4.167697  15.40427       76.12855 
1 1 1 9   -5  0  o 323.9912 25.09149 21.87961       4.819561  25.89990       5.210413  -27.44403      51.52572 
1 1 1 9   -5  1  o 176.8393 40.71838 4.646994       4.283392  10.73397       4.471285  -62.35904      72.28621 
1 1 1 9   -5  2  o 198.9155 36.77300 7.459834       4.330621  11.35623       4.411245  -41.08775      71.13757 
1 1 1 9   -5  3  o 410.8538 22.51735 35.19503       5.600132  40.72052       5.841197  -30.40012      45.77938 
1 1 1 9   -5  4  o 314.6311 24.11461 19.01855       4.550612  25.98568       4.800673  -50.90137      49.81492 
1 1 1 9   -5  5  o 280.6758 27.97340 16.65815       4.903555  19.14713       4.713359  -22.06525      58.58277 
1 1 1 9   -5  6  o 256.2792 28.96474 13.29070       4.518959  16.74843       4.529212  -32.09819      60.70513 
1 1 1 9   -5  7  o 337.4502 24.16780 25.14741       5.098108  25.98112       4.955880  -6.252197      49.40760 
1 1 1 9   -5  8  o 103.6146 40.32503 2.019899       3.675231  1.218128       3.778345  5.374756       66.56371 
1 1 1 9   -5  9  o 377.4402 21.82203 30.83004       5.082036  32.47383       5.092969  -10.04639      44.16166 
1 1 1 9   -5  10 o 382.7642 22.13167 31.71670       5.130861  33.36611       5.340343  -9.581940      44.74747 
1 1 1 9   -5  11 o 609.1759 30.66469 0.000000       0.000000  82.87514       8.167397  ?              ?        
1 1 1 9   -5  12 o 340.3990 24.72400 30.58120       5.201619  21.14519       5.168633  64.73306       51.35859 
1 1 1 9   -5  13 o 141.7354 42.16587 2.854474       3.926317  6.560578       4.037182  -37.63371      70.86622 
1 1 1 9   -5  14 o 683.7406 21.74945 108.7324       9.260841  98.88236       9.165983  32.94312       43.85468 
1 1 1 9   -5  15 o 294.6107 28.73116 16.09977       4.913329  23.87896       5.505140  -60.03149      59.52990 
1 1 1 9   -5  16 o 212.5234 38.13327 16.61517       4.938653  4.977352       4.751747  112.0470       70.61736 
1 1 1 9   -5  17 o 220.9116 36.47563 8.843790       4.768731  14.19774       4.881612  -53.15735      72.55020 
1 1 1 9   -5  18 o 120.0636 43.72646 3.191796       4.402680  2.888835       4.060923  5.077423       72.00863 
1 1 1 9   -5  19 o 127.7415 41.87157 2.039508       3.676135  6.142018       4.000031  -40.25290      69.06857 
1 1 1 9   -5  20 o 176.2859 40.09093 8.163400       4.147070  7.608686       4.437036  6.753845       74.03739 
1 1 1 9   -5  21 f 155.0504 51.06364 5.583944       4.502143  10.82920       8.968837  -35.05418      90.49065 
1 1 1 9   -5  22 o 217.0952 58.64913 16.62666       8.121618  12.73512       8.045554  25.14153       101.3491 
1 1 1 9   -5  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   -5  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   -4  0  o 415.1122 21.55658 41.04398       5.720607  36.33076       5.360645  25.17419       43.71763 
1 1 1 9   -4  1  o 277.5122 25.74841 15.76684       4.308325  19.19525       4.459483  -28.56235      53.33126 
1 1 1 9   -4  2  o 197.3268 24.26454 9.034983       2.879707  8.621253       2.936440  5.199280       50.23666 
1 1 1 9   -4  3  o 384.3293 15.48926 34.19608       3.714175  31.26802       3.656873  17.39465       31.21413 
1 1 1 9   -4  4  o 197.0059 24.18676 7.716400       2.848222  9.966418       2.941712  -26.52170      50.14071 
1 1 1 9   -4  5  o 337.1810 15.95305 24.49635       3.287181  25.96746       3.368889  -9.859558      32.18805 
1 1 1 9   -4  6  o 338.1247 16.12041 25.98858       3.366446  24.74943       3.376476  8.471161       32.55131 
1 1 1 9   -4  7  f 256.7390 19.96856 17.88895       3.308962  12.13918       3.021077  51.11537       41.10396 
1 1 1 9   -4  8  o 413.6320 14.73169 37.24083       3.754052  38.46745       3.794041  -6.731262      29.64282 
1 1 1 9   -4  9  o 219.9030 20.76115 11.52725       2.860229  10.17213       2.740630  14.07224       42.62777 
1 1 1 9   -4  10 o 742.7141 14.80873 123.0580       6.870810  120.0354       6.775567  9.207458       29.72648 
1 1 1 9   -4  11 o 319.5312 23.51631 0.000000       0.000000  22.72194       3.272882  ?              ?        
1 1 1 9   -4  12 o 100.5173 34.81966 0.5485672      2.558768  3.780110       2.744113  -38.15617      56.99200 
1 1 1 9   -4  13 o 257.1891 19.18793 16.04670       3.018445  13.29125       3.060341  25.04008       39.25508 
1 1 1 9   -4  14 o 238.6154 20.04093 15.36674       2.980636  10.15302       2.899127  51.00055       41.81348 
1 1 1 9   -4  15 o 67.58543 31.19534 0.7628433      3.539903  -3.076774      2.722963  37.44424       55.95128 
1 1 1 9   -4  16 o 295.5045 20.75976 19.85144       4.130304  19.12483       3.507896  4.223450       42.64463 
1 1 1 9   -4  17 o 274.2064 21.09794 14.11202       3.683133  19.16382       3.450447  -44.14110      44.38007 
1 1 1 9   -4  18 o 461.9941 16.52575 44.87565       4.615585  50.11300       4.849899  -25.49542      33.30798 
1 1 1 9   -4  19 o 249.7286 23.97838 14.20672       3.701143  14.18805       3.637571  -0.1721191     49.76293 
1 1 1 9   -4  20 o 263.1289 25.07884 18.63995       4.201568  13.64032       3.902972  43.22052       52.68529 
1 1 1 9   -4  21 o 158.2395 41.85073 7.361845       4.689512  5.889542       3.792686  13.84854       74.17527 
1 1 1 9   -4  22 o 96.93728 40.48287 2.351012       4.549805  0.5229543      3.700538  18.76267       66.84404 
1 1 1 9   -4  23 o 129.9145 43.70491 6.649288       4.747843  3.318450       3.753072  29.24174       72.63087 
1 1 1 9   -4  24 o 190.6880 38.53836 9.864496       4.964326  9.617064       3.995112  -6.800537      75.17178 
1 1 1 9   -4  25 o 77.11913 35.26703 1.890286       4.509186  -2.092989      3.316507  31.07841       60.61040 
1 1 1 9   -3  0  f 384.3078 15.51040 34.15307       3.734165  31.31022       3.647347  16.82504       31.24544 
1 1 1 9   -3  1  f 541.3421 14.12673 68.40433       4.831721  61.26007       4.652900  29.93732       28.37772 
1 1 1 9   -3  2  o 216.8010 21.90794 10.12371       2.924771  10.96515       2.887454  -9.300919      45.20744 
1 1 1 9   -3  3  o 150.2897 29.82895 4.646321       2.699483  5.825931       2.666293  -16.02336      56.66200 
1 1 1 9   -3  4  o 274.5123 17.15523 19.05756       2.944021  14.51513       2.870738  38.14453       34.99119 
1 1 1 9   -3  5  o 558.0142 13.87259 67.84694       4.773131  69.55331       4.831328  -6.916870      27.88825 
1 1 1 9   -3  6  o 444.8083 14.21555 42.33190       3.872888  45.19411       3.963425  -14.59369      28.58262 
1 1 1 9   -3  7  o 405.7315 14.45959 36.72438       3.610811  36.09975       3.656469  3.623901       29.10190 
1 1 1 9   -3  8  f 185.7001 24.02038 9.326132       2.751775  6.460643       2.655278  35.72758       49.70163 
1 1 1 9   -3  9  o 237.6880 19.01728 12.06068       2.781135  13.17935       2.780039  -11.00240      38.86314 
1 1 1 9   -3  10 o 473.4806 13.71297 48.93353       4.029431  49.97388       4.017375  -5.049561      27.53958 
1 1 1 9   -3  11 f 495.2027 16.30577 49.51978       6.092558  56.46664       4.343956  -34.93069      35.60418 
1 1 1 9   -3  12 o 491.2679 13.61908 51.18784       4.066129  55.24418       4.231458  -18.72714      27.31820 
1 1 1 9   -3  13 o 246.4435 18.01894 13.61504       2.738961  13.31337       2.732232  2.826263       36.54003 
1 1 1 9   -3  14 o 108.2416 34.08487 2.785357       2.552978  2.424042       2.555704  4.373749       57.39309 
1 1 1 9   -3  15 o 259.0249 18.66409 15.34000       3.066569  14.52570       2.898179  6.890289       37.90254 
1 1 1 9   -3  16 o 318.7330 25.24383 0.000000       0.000000  22.72555       3.500457  ?              ?        
1 1 1 9   -3  17 o 407.9191 18.55489 36.06248       5.518011  37.33684       4.139420  -9.882568      39.30242 
1 1 1 9   -3  18 o 102.5876 36.58975 1.014521       3.038861  3.094498       2.845712  -18.98267      60.07556 
1 1 1 9   -3  19 o 178.5524 42.09959 7.801855       3.243142  0.000000       0.000000  ?              ?        
1 1 1 9   -3  20 o 238.5938 24.20285 10.23533       3.546348  15.75964       3.519067  -55.63931      51.87107 
1 1 1 9   -3  21 o 107.1734 39.50824 4.575383       3.734071  0.9355280      3.242748  35.66319       64.80802 
1 1 1 9   -3  22 o 81.37905 35.76640 0.7026812      3.597916  -0.8113909     3.380419  12.09095       59.63135 
1 1 1 9   -3  23 o 143.2692 42.55260 6.379424       4.285750  4.895290       3.860615  13.84415       72.28870 
1 1 1 9   -3  24 o 101.2925 40.71972 1.220067       4.150247  2.699952       3.714431  -7.234375      65.78802 
1 1 1 9   -3  25 o 165.3884 38.27436 9.272437       4.206903  6.091992       3.569034  29.28310       70.63068 
1 1 1 9   -3  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   -2  0  o 528.6564 13.98024 62.31165       4.567316  61.04978       4.594014  5.506775       28.07945 
1 1 1 9   -2  1  f 548.2422 13.90293 64.66293       4.632110  68.06339       4.822385  -13.94086      27.91169 
1 1 1 9   -2  2  o 718.8979 14.55770 113.3938       6.482679  114.4823       6.501298  -3.441772      29.23430 
1 1 1 9   -2  3  o 385.6046 14.27309 34.25590       3.491218  31.49769       3.330854  16.16544       28.68765 
1 1 1 9   -2  4  o 585.5736 13.72013 73.93583       4.946147  77.20426       5.022215  -12.68243      27.55742 
1 1 1 9   -2  5  o 731.2534 14.47305 118.0932       6.577128  117.7078       6.553225  1.175537       29.06405 
1 1 1 9   -2  6  o 867.0081 15.76336 166.3676       8.515286  165.6388       8.440998  1.814392       31.67426 
1 1 1 9   -2  7  o 493.6501 13.48101 48.81411       3.955404  59.71982       4.316881  -49.88461      27.07906 
1 1 1 9   -2  8  o 211.9435 20.86496 8.874700       2.739283  11.25540       2.677081  -26.84067      43.52445 
1 1 1 9   -2  9  o 255.9586 18.02295 16.62315       2.897838  12.73741       2.791779  34.96764       36.86812 
1 1 1 9   -2  10 o 399.1794 14.23275 35.21142       3.506912  35.24494       3.530531  -0.1491699     28.63025 
1 1 1 9   -2  11 o 284.3103 16.14238 16.96406       2.832431  18.84048       2.838038  -15.22000      32.64266 
1 1 1 9   -2  12 o 328.6374 14.88504 20.68904       2.955144  27.30285       3.103495  -45.97681      30.08293 
1 1 1 9   -2  13 o 187.1011 22.80729 7.638180       2.513047  8.100758       2.679865  -5.304153      46.95427 
1 1 1 9   -2  14 o 210.2246 19.44891 9.944895       2.461450  9.725589       2.556280  2.703949       39.83706 
1 1 1 9   -2  15 o 528.1752 13.25666 62.39631       4.363782  60.52806       4.316512  8.040955       26.59390 
1 1 1 9   -2  16 o 520.4993 13.93225 57.27174       4.577873  62.02287       4.415242  -21.11816      28.04898 
1 1 1 9   -2  17 o 241.6913 21.71579 10.68773       3.525768  14.73370       2.983821  -41.61404      47.40577 
1 1 1 9   -2  18 o 177.9173 27.87439 7.545552       3.194351  7.027419       2.796112  5.441238       56.40117 
1 1 1 9   -2  19 o 286.5277 19.12150 16.61748       3.448763  19.91167       3.313658  -27.24026      39.27479 
1 1 1 9   -2  20 o 277.9357 19.60807 17.20188       3.356133  17.50189       3.361703  -2.497070      40.02733 
1 1 1 9   -2  21 o 268.3814 21.06466 17.68397       3.611803  15.19950       3.359511  20.32948       43.37362 
1 1 1 9   -2  22 o 122.6438 37.75064 5.029784       3.263722  2.637388       3.052411  26.54032       63.32701 
1 1 1 9   -2  23 o 250.6660 23.28167 13.96832       3.599666  15.25607       3.558226  -12.74208      49.04193 
1 1 1 9   -2  24 o 201.9184 33.04033 9.615265       4.389572  10.74743       3.691394  -20.13300      68.50211 
1 1 1 9   -2  25 o 79.41328 34.86167 0.7898320      3.528314  -0.2463014     3.113056  10.65989       57.60749 
1 1 1 9   -2  26 o 83.98026 36.22020 2.118151       3.695758  -0.3295889     3.220171  19.57226       59.48794 
1 1 1 9   -1  0  o 471.7056 14.07491 49.00089       4.060860  49.20521       4.168938  -0.8383484     28.27876 
1 1 1 9   -1  1  o 609.8256 13.86829 79.95504       5.164443  84.03941       5.331970  -15.12506      27.85188 
1 1 1 9   -1  2  f 367.5291 14.38697 30.14319       3.281701  29.46049       3.265739  4.239441       28.91961 
1 1 1 9   -1  3  o 503.0713 13.30454 56.68507       4.185469  54.83217       4.111992  8.349396       26.69042 
1 1 1 9   -1  4  o 499.7458 13.28485 60.07224       4.235432  50.48246       4.003713  43.59732       26.66465 
1 1 1 9   -1  5  o 659.6410 13.64304 96.76411       5.622483  94.88375       5.543515  6.437134       27.38247 
1 1 1 9   -1  6  o 242.4096 17.59309 13.90491       2.664406  12.24004       2.592083  15.76572       35.73760 
1 1 1 9   -1  7  o 102.7498 32.89740 2.148048       2.387324  2.529891       2.355150  -4.449242      55.20916 
1 1 1 9   -1  8  o 90.21145 32.21513 1.001539       2.287448  2.196938       2.268281  -13.62594      53.15591 
1 1 1 9   -1  9  o 339.9411 14.37020 23.81071       2.960666  27.49037       3.090392  -24.59500      28.95529 
1 1 1 9   -1  10 o 243.1793 17.35860 14.43713       2.612909  11.93515       2.589867  23.87225       35.45444 
1 1 1 9   -1  11 o 458.9163 13.17433 46.58957       3.691067  46.36681       3.804560  1.289429       26.47584 
1 1 1 9   -1  12 o 137.0980 28.19961 5.195640       2.279151  3.433783       2.359188  25.44305       52.65384 
1 1 1 9   -1  13 f 873.7626 15.28678 169.4262       8.369566  166.8941       8.204182  6.475098       30.63965 
1 1 1 9   -1  14 o 485.3770 12.79988 51.55402       3.820068  52.15100       3.881763  -2.758667      25.66862 
1 1 1 9   -1  15 o 499.9725 13.04163 51.46645       3.867545  59.33669       4.240843  -35.54608      26.16368 
1 1 1 9   -1  16 o 751.0800 14.26086 121.5625       6.568536  127.1925       6.722712  -16.96576      28.62678 
1 1 1 9   -1  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   -1  18 o 410.3885 16.68994 39.55668       5.291095  36.15529       3.638574  16.07855       35.53382 
1 1 1 9   -1  19 o 160.0036 28.91748 4.040853       2.983448  7.356559       2.587697  -43.62437      55.94509 
1 1 1 9   -1  20 o 148.9153 32.30870 5.130853       2.899107  5.399763       2.898000  -3.487473      60.13554 
1 1 1 9   -1  21 o 350.9072 17.20953 30.26122       3.870996  25.16030       3.611778  32.60117       34.89676 
1 1 1 9   -1  22 o 166.7745 31.94481 5.119024       3.159269  8.487215       3.210392  -41.33968      61.16373 
1 1 1 9   -1  23 o 150.3737 35.36602 8.599648       3.487945  3.487135       3.043742  59.05351       62.66304 
1 1 1 9   -1  24 o 110.6816 37.74407 5.327576       3.255738  1.203361       2.975433  42.07552       61.42837 
1 1 1 9   -1  25 o 201.0301 26.41932 9.328907       3.337826  10.13216       3.104643  -12.40695      56.42233 
1 1 1 9   -1  26 o 186.1946 27.85563 7.796463       3.353775  9.205729       2.926875  -22.98802      58.84546 
1 1 1 9   -1  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   0   0  o 294.1402 16.64341 16.79010       3.000099  21.62571       3.049274  -37.87946      33.85577 
1 1 1 9   0   1  o 291.0925 16.20840 18.10450       2.891878  19.41225       2.939107  -10.27002      32.71224 
1 1 1 9   0   2  o 95.17121 32.82454 1.950180       2.333941  1.751475       2.368368  1.945381       54.55751 
1 1 1 9   0   3  o 272.7657 23.18451 16.59425       2.747628  0.000000       0.000000  ?              ?        
1 1 1 9   0   4  o 263.5862 16.56735 15.83233       2.696260  14.91517       2.694126  8.034546       33.49432 
1 1 1 9   0   5  o 196.8233 19.42856 6.683564       2.299940  10.73892       2.384762  -48.24391      40.79090 
1 1 1 9   0   6  f 246.5527 16.72530 13.37579       2.543419  13.56107       2.542289  -1.742157      33.85985 
1 1 1 9   0   7  o 646.3904 13.24430 87.12912       5.196994  97.35236       5.431910  -35.88574      26.58515 
1 1 1 9   0   8  o 193.1212 19.91557 10.94539       2.441220  6.108295       2.271271  58.26276       41.98490 
1 1 1 9   0   9  o 149.7119 26.14693 4.730509       2.349030  5.586024       2.330941  -12.46277      51.42285 
1 1 1 9   0   10 o 126.9610 29.21108 1.699467       2.213567  6.018244       2.293969  -61.12266      50.35358 
1 1 1 9   0   11 o 562.5938 12.65234 69.02547       4.378829  70.62029       4.453156  -6.373108      25.42293 
1 1 1 9   0   12 o 300.8912 14.44689 19.95469       2.605874  20.09039       2.779787  -0.7135620     29.16328 
1 1 1 9   0   13 o 1117.766 21.00050 286.1939       12.92915  259.6213       17.02383  61.34912       44.56996 
1 1 1 9   0   14 o 324.3148 13.54955 21.56463       2.758069  24.70760       2.683241  -22.35147      27.36165 
1 1 1 9   0   15 o 789.3225 14.28711 131.2290       6.811285  143.7325       7.195390  -35.83521      28.66088 
1 1 1 9   0   16 o 221.7853 20.20444 10.66457       2.416836  11.53081       3.271824  -6.578903      43.01083 
1 1 1 9   0   17 o 392.3799 12.63112 34.50012       3.161865  33.42742       2.986491  6.035614       25.38154 
1 1 1 9   0   18 o 555.3661 18.50570 0.000000       0.000000  68.24537       4.501728  ?              ?        
1 1 1 9   0   19 o 562.6544 13.34657 72.29062       4.838775  67.63271       4.496626  18.45673       26.83836 
1 1 1 9   0   20 o 201.1926 32.47116 9.446572       2.768028  0.000000       0.000000  ?              ?        
1 1 1 9   0   21 o 278.6466 18.39358 18.01524       3.274800  16.87490       3.059294  8.648529       37.48590 
1 1 1 9   0   22 o 380.5223 15.66904 34.18488       3.746262  30.63724       3.637539  21.09650       31.72883 
1 1 1 9   0   23 o 308.5113 17.90445 22.66640       3.518839  20.50129       3.313894  15.17905       36.57302 
1 1 1 9   0   24 o 114.7636 36.32464 2.723452       2.986655  3.893328       2.816136  -12.06934      60.57942 
1 1 1 9   0   25 o 223.8165 23.39524 11.79807       3.376104  11.92003       3.049255  -5.253159      50.23967 
1 1 1 9   0   26 o 150.8752 31.19794 8.594201       3.081638  3.869546       2.620764  56.92029       58.03664 
1 1 1 9   0   27 o 120.7152 35.74304 3.321594       3.276456  4.437723       2.578657  -12.48606      60.38843 
1 1 1 9   1   0  o 510.2672 14.03420 57.76567       4.450620  57.09980       4.425521  2.954956       28.17698 
1 1 1 9   1   1  o 155.8766 28.05922 4.804334       2.567805  6.405382       2.661479  -21.93373      54.54755 
1 1 1 9   1   2  o 747.8486 14.54695 122.2716       6.756132  124.0220       6.740727  -5.367798      29.19272 
1 1 1 9   1   3  o 542.8607 13.28213 65.64952       4.532596  64.05785       4.415172  6.599976       26.66500 
1 1 1 9   1   4  o 487.9978 13.13391 48.43804       3.881750  56.79702       4.069322  -38.96826      26.35564 
1 1 1 9   1   5  o 587.3618 12.99534 77.68618       4.777124  74.14810       4.693749  13.70026       26.07483 
1 1 1 9   1   6  o 703.9222 13.67011 109.1347       5.978891  108.9676       5.959467  0.5250854      27.42466 
1 1 1 9   1   7  o 196.1868 19.57986 6.467350       2.285096  10.97932       2.423075  -53.62198      41.15734 
1 1 1 9   1   8  o 314.9293 13.99319 23.58532       2.771344  20.31823       2.684422  23.68036       28.18686 
1 1 1 9   1   9  o 91.15528 30.74419 0.3722132      2.058063  3.160107       2.062754  -35.67424      49.93029 
1 1 1 9   1   10 o 136.2336 26.72816 4.626998       2.198780  3.995480       2.157877  9.532364       51.02031 
1 1 1 9   1   11 o 462.2319 12.41037 48.65839       3.595341  45.72265       3.516433  14.41251       24.92501 
1 1 1 9   1   12 o 178.8431 21.11361 4.272209       2.259651  10.35733       2.336775  -79.25336      44.99459 
1 1 1 9   1   13 o 372.8918 17.55472 30.78676       2.863236  0.000000       0.000000  ?              ?        
1 1 1 9   1   14 o 210.5237 17.25107 10.72693       2.306800  9.053003       2.166065  18.14980       35.11576 
1 1 1 9   1   15 o 519.5771 11.85089 59.41052       3.907702  59.29692       3.737193  0.3618164      23.79767 
1 1 1 9   1   16 o 469.1332 11.91526 48.67357       3.448388  48.19465       3.481225  2.365631       23.89453 
1 1 1 9   1   17 o 292.1203 13.56475 18.38868       2.477157  19.27169       2.426302  -7.029785      27.32931 
1 1 1 9   1   18 o 1098.853 17.98230 275.2666       12.64952  259.3699       11.89976  32.05469       36.12040 
1 1 1 9   1   19 o 543.5364 14.80882 64.41283       6.043743  65.62295       4.343903  -7.621948      31.53981 
1 1 1 9   1   20 o 196.6920 20.44528 9.634740       2.582903  7.925247       2.350002  19.47879       42.17325 
1 1 1 9   1   21 o 344.1638 14.69482 28.48658       3.188236  24.25603       3.074851  27.97937       29.67929 
1 1 1 9   1   22 o 211.1787 20.70563 9.743553       2.749951  10.48691       2.610638  -9.216324      43.16060 
1 1 1 9   1   23 o 355.1237 16.34135 26.04421       3.691957  30.44907       3.496412  -29.89517      33.55766 
1 1 1 9   1   24 f 239.5174 19.86007 15.44590       3.029262  11.15137       2.829466  40.91200       41.51331 
1 1 1 9   1   25 o 371.4070 21.27477 32.03992       3.451403  0.000000       0.000000  ?              ?        
1 1 1 9   1   26 o 136.6667 30.55242 6.574627       2.842863  3.576086       2.294385  37.49199       56.56403 
1 1 1 9   1   27 o 199.9755 19.76734 9.173735       2.469327  9.599439       2.373657  -6.370880      41.98607 
1 1 1 9   2   0  o 286.0920 17.88636 16.81678       3.160664  19.51761       3.156121  -21.87170      36.32986 
1 1 1 9   2   1  o 110.1564 34.75700 1.930054       2.622277  3.523020       2.688625  -19.55193      58.22583 
1 1 1 9   2   2  o 272.1319 17.16359 18.62836       2.964629  14.39540       2.807042  35.60289       34.81928 
1 1 1 9   2   3  o 444.4196 13.56851 44.13385       3.768866  42.88115       3.704411  6.387177       27.22679 
1 1 1 9   2   4  o 637.2780 13.49657 90.33817       5.378683  88.37880       5.293181  6.957153       27.07806 
1 1 1 9   2   5  o 839.4026 15.04335 153.2746       7.803291  156.9971       7.863165  -10.08600      30.17916 
1 1 1 9   2   6  o 125.7884 29.56431 5.047209       2.380286  2.512501       2.169609  37.28832       52.65042 
1 1 1 9   2   7  o 228.7700 17.30667 11.16940       2.432002  12.05474       2.443611  -8.965439      35.15874 
1 1 1 9   2   8  o 228.2097 16.80485 11.78963       2.394202  11.33619       2.331568  4.462387       34.10088 
1 1 1 9   2   9  o 170.1431 21.80451 8.840096       2.319179  4.484153       2.183896  58.89674       45.18651 
1 1 1 9   2   10 o 274.0763 14.71033 15.08633       2.460670  18.27356       2.524177  -26.66821      29.77753 
1 1 1 9   2   11 o 634.9255 12.70135 88.27296       4.977861  89.61532       5.027548  -4.759827      25.51483 
1 1 1 9   2   12 o 266.4936 17.40414 14.14509       3.601117  16.57627       2.445835  -25.28151      39.92924 
1 1 1 9   2   13 o 90.44499 35.00271 1.249656       1.976438  0.000000       0.000000  ?              ?        
1 1 1 9   2   14 o 64.90868 27.36627 -0.2439237     1.845813  0.4964150      1.922042  -8.967384      45.86439 
1 1 1 9   2   15 o 684.3878 12.73166 102.9096       5.407158  103.1160       5.403041  -0.6926880     25.53041 
1 1 1 9   2   16 f 324.5202 12.16550 22.95778       2.478144  23.41800       2.412498  -3.323853      24.44499 
1 1 1 9   2   17 o 298.4601 12.53479 19.44603       2.315503  19.83814       2.315569  -3.014252      25.19885 
1 1 1 9   2   18 o 717.4101 12.95699 111.9457       5.774180  114.7616       5.758205  -8.995239      26.00247 
1 1 1 9   2   19 o 119.4565 34.46080 0.000000       0.000000  3.295442       1.905138  ?              ?        
1 1 1 9   2   20 o 358.8404 12.32512 28.96211       2.899105  27.97217       2.603569  5.837677       24.86916 
1 1 1 9   2   21 o 183.0715 20.27983 7.751410       2.395496  7.422536       2.152818  3.054459       42.13762 
1 1 1 9   2   22 o 445.1352 12.73971 41.63272       3.439265  46.40303       3.594160  -24.16693      25.64396 
1 1 1 9   2   23 o 118.9287 30.47552 1.574850       2.304247  5.202750       2.215042  -49.15411      51.50459 
1 1 1 9   2   24 o 111.1934 31.42937 2.356099       2.371849  3.643125       2.168927  -16.36646      53.78112 
1 1 1 9   2   25 o 182.7958 20.43022 8.464635       2.375987  7.182703       2.189533  14.94124       43.00609 
1 1 1 9   2   26 o 303.6072 13.31764 22.67219       2.528818  18.92710       2.476133  28.28284       27.15767 
1 1 1 9   2   27 o 211.1706 14.54401 10.96395       2.001441  9.521112       1.801388  14.18625       29.94719 
1 1 1 9   2   28 o 65.73277 26.03632 0.6145750      1.675406  0.8687745      1.493805  -0.4914856     42.59839 
1 1 1 9   3   0  o 382.8383 15.37527 33.91307       3.651707  30.91492       3.636206  17.96472       30.97507 
1 1 1 9   3   1  o 225.7989 29.39929 11.59069       2.842714  0.000000       0.000000  ?              ?        
1 1 1 9   3   2  o 204.9096 21.65772 11.00623       2.769554  7.914434       2.656570  35.17009       44.92601 
1 1 1 9   3   3  o 64.96712 29.09152 -0.8202381     2.417600  -0.6435432     2.411689  -1.238213      49.63083 
1 1 1 9   3   4  o 189.9111 21.60139 8.438972       2.541820  7.731633       2.459408  8.515869       44.46653 
1 1 1 9   3   5  o 510.1864 13.26760 58.53832       4.182660  56.03875       4.208169  11.22998       26.61818 
1 1 1 9   3   6  o 106.1952 31.79162 2.291504       2.271068  2.796904       2.243867  -6.506081      54.04447 
1 1 1 9   3   7  o 219.1562 18.40928 10.86385       2.535470  10.50251       2.427225  3.571640       37.52394 
1 1 1 9   3   8  o 185.3768 20.80002 9.511771       2.424581  6.096149       2.283093  42.81442       43.28317 
1 1 1 9   3   9  o 213.4361 17.88077 8.794684       2.355989  11.46852       2.335455  -29.41963      36.96488 
1 1 1 9   3   10 o 379.0536 12.60378 32.03481       2.994501  31.38918       2.925635  3.794800       25.32433 
1 1 1 9   3   11 o 92.10733 31.18546 1.623154       2.132010  1.997308       2.108236  -4.450172      51.87650 
1 1 1 9   3   12 o 131.2736 34.75585 0.000000       0.000000  4.088649       2.032462  ?              ?        
1 1 1 9   3   13 o 371.5832 12.25170 31.25997       2.779798  29.60526       2.862341  10.33658       24.65096 
1 1 1 9   3   14 o 335.6787 12.39741 25.44957       2.534447  24.16904       2.621896  8.857605       24.94609 
1 1 1 9   3   15 o 455.7545 11.08196 44.82185       3.143730  46.47871       3.122427  -8.330658      22.24234 
1 1 1 9   3   16 o 576.9301 11.45709 72.78836       4.121163  73.55595       4.079716  -3.073669      22.97682 
1 1 1 9   3   17 o 286.1592 11.71805 18.09983       2.135277  17.99406       2.020802  0.6964111      23.57771 
1 1 1 9   3   18 o 342.4421 10.92705 27.32241       2.373065  24.45849       2.266964  18.99854       21.92992 
1 1 1 9   3   19 o 212.7712 15.65046 12.23071       2.271597  8.533974       1.884578  38.86183       31.74955 
1 1 1 9   3   20 o 177.1749 19.52578 9.694755       2.618255  5.770179       1.816189  47.14551       40.38411 
1 1 1 9   3   21 o 91.61009 28.99334 1.457672       1.919489  2.257083       1.780474  -9.839973      48.58983 
1 1 1 9   3   22 o 185.8672 17.26467 8.458329       2.056373  7.182380       1.889791  15.29575       35.51623 
1 1 1 9   3   23 o 186.6900 17.61031 7.887682       2.077391  7.882555       1.958489  -0.6747284     36.46155 
1 1 1 9   3   24 o 105.4184 26.84197 3.047946       1.825199  2.398182       1.700734  10.65327       47.64435 
1 1 1 9   3   25 o 164.0226 16.62987 7.305266       1.752265  5.181080       1.596007  29.36632       34.74079 
1 1 1 9   3   26 o 296.0395 13.13215 19.73332       1.701001  0.000000       0.000000  ?              ?        
1 1 1 9   3   27 f 193.1065 11.78567 9.291138       1.852888  8.028528       1.177040  9.769531       26.09042 
1 1 1 9   3   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   4   0  o 565.3246 14.63115 73.58349       5.224255  67.83395       5.034180  22.98352       29.39559 
1 1 1 9   4   1  f 206.7176 22.34873 10.46835       2.840436  8.754498       2.800570  19.43864       46.24029 
1 1 1 9   4   2  o 512.3718 13.83678 59.32605       4.433535  56.45873       4.355085  12.71487       27.77084 
1 1 1 9   4   3  o 404.9714 14.17387 38.23735       3.609809  34.19395       3.502918  22.74194       28.47815 
1 1 1 9   4   4  o 351.0671 14.84586 25.37986       3.172366  29.12367       3.281916  -24.31958      29.87134 
1 1 1 9   4   5  o 159.7561 25.30951 6.299656       2.405562  5.275910       2.444249  14.47893       50.70470 
1 1 1 9   4   6  o 334.1127 14.41543 24.82742       2.992465  24.41934       2.969011  2.772949       28.98603 
1 1 1 9   4   7  o 406.4483 13.18181 37.93637       3.391218  34.97496       3.251415  16.51889       26.45941 
1 1 1 9   4   8  o 400.7395 13.15481 35.49406       3.286749  35.29906       3.245019  1.063354       26.41403 
1 1 1 9   4   9  o 308.6989 14.23551 20.33948       2.695714  21.79484       2.742188  -10.75562      28.66589 
1 1 1 9   4   10 o 250.3993 16.31081 13.97234       2.532728  13.87369       2.506941  0.8463135      33.03909 
1 1 1 9   4   11 o 314.1813 13.42457 21.41076       2.627153  22.23545       2.593821  -6.100922      27.04339 
1 1 1 9   4   12 o 448.8059 16.87949 0.000000       0.000000  44.71574       3.316993  ?              ?        
1 1 1 9   4   13 o 432.6721 11.75455 40.94906       3.115650  41.62362       3.189540  -3.459076      23.59827 
1 1 1 9   4   14 o 280.1793 13.26593 17.05273       2.281423  17.61269       2.317162  -4.534943      26.70067 
1 1 1 9   4   15 o 613.6074 11.82556 83.73705       4.565628  81.90565       4.439430  6.715454       23.71731 
1 1 1 9   4   16 o 617.8958 11.74342 85.52792       4.586995  82.48029       4.420003  11.13409       23.55122 
1 1 1 9   4   17 o 139.1445 20.61117 3.484146       1.805289  5.124219       1.655105  -27.15358      42.03618 
1 1 1 9   4   18 o 550.9775 10.77073 67.38344       3.778511  66.24199       3.591131  4.540344       21.62352 
1 1 1 9   4   19 o 574.2233 15.51256 0.000000       0.000000  72.80828       3.903619  ?              ?        
1 1 1 9   4   20 o 312.5330 15.81075 0.000000       0.000000  21.62983       2.160411  ?              ?        
1 1 1 9   4   21 o 287.4287 11.37532 19.03228       2.087507  17.53607       1.966309  11.70233       22.87893 
1 1 1 9   4   22 o 219.4314 13.49841 11.97267       1.902785  9.612872       1.762254  24.35640       27.35703 
1 1 1 9   4   23 o 166.3837 12.48347 6.190587       1.329715  6.155496       1.233749  0.5850220E-01  25.48347 
1 1 1 9   4   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   4   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   4   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   4   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   4   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   5   0  o 472.5596 21.91235 43.41908       6.202276  57.22088       6.630920  -66.19907      44.49974 
1 1 1 9   5   1  f 62.32104 29.01909 -3.058517      2.739702  -0.3458498     2.720955  -16.40393      50.46992 
1 1 1 9   5   2  o 106.8290 34.89675 2.463263       2.665636  2.543896       2.654073  -0.8256226     58.39156 
1 1 1 9   5   3  o 354.1602 15.11165 29.82544       3.430929  25.84961       3.205167  25.39136       30.40588 
1 1 1 9   5   4  o 188.2753 22.83150 7.449513       2.678539  8.440733       2.550359  -12.82996      47.27794 
1 1 1 9   5   5  o 225.2371 19.13956 11.02197       2.713291  11.52714       2.588817  -5.567810      39.14779 
1 1 1 9   5   6  o 266.1969 16.65534 15.79416       2.780990  15.58779       2.694026  1.625977       33.67407 
1 1 1 9   5   7  o 243.2138 17.44912 11.50303       2.600173  14.78142       2.630213  -31.25449      35.68505 
1 1 1 9   5   8  o 390.5485 13.31268 34.65052       3.285505  32.69235       3.159180  11.31674       26.74017 
1 1 1 9   5   9  o 54.62272 25.66480 -3.870372      2.214391  0.6477090      2.219597  -30.70846      45.38158 
1 1 1 9   5   10 o 225.8972 17.42779 12.20375       2.457754  10.57335       2.390188  16.60286       35.52453 
1 1 1 9   5   11 o 64.13300 28.09032 1.063861       2.146057  -1.600227      2.119277  23.60809       47.38467 
1 1 1 9   5   12 o 232.8945 16.86312 10.18161       2.469486  13.84636       2.372814  -37.18906      35.12250 
1 1 1 9   5   13 o 248.0702 15.16240 14.88575       2.347054  12.47447       2.297907  22.35095       30.75909 
1 1 1 9   5   14 o 401.3675 11.58760 35.09815       2.873300  35.87094       2.890821  -4.385406      23.25049 
1 1 1 9   5   15 o 721.6566 12.80528 115.4080       5.769510  113.7926       5.695986  5.049622       25.68150 
1 1 1 9   5   16 o 339.3883 10.99326 26.29334       2.382434  24.50304       2.246277  11.92798       22.05934 
1 1 1 9   5   17 o 450.8867 10.44489 42.49106       2.889482  46.99121       2.954351  -22.75452      20.96277 
1 1 1 9   5   18 o 180.3991 15.12660 9.115311       1.778217  5.720005       1.591603  43.08537       31.16278 
1 1 1 9   5   19 o 588.3712 10.88360 80.33474       4.167305  72.68993       3.802303  29.26117       21.84722 
1 1 1 9   5   20 x ?        ?        -5.158983      1.436768  -4.148931      1.490234  -4.416424      26.99778 
1 1 1 9   5   21 o 278.9091 10.10600 16.59431       1.997612  17.49269       1.569849  -8.150513      21.06022 
1 1 1 9   5   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   5   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   5   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   5   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   5   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   5   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   5   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   6   0  o 202.3875 36.52734 10.62481       4.636919  8.841827       4.225895  17.75983       71.75026 
1 1 1 9   6   1  o 263.4875 28.37283 17.06867       4.715266  14.67218       4.427220  20.30275       58.96434 
1 1 1 9   6   2  o 400.9174 15.62339 38.62873       4.000739  32.84461       3.766016  32.65625       31.45812 
1 1 1 9   6   3  o 148.4512 31.00357 5.864192       2.802101  4.437220       2.725064  19.09503       57.98750 
1 1 1 9   6   4  o 306.9447 17.02424 20.44795       3.275370  21.27417       3.184140  -6.391937      34.41839 
1 1 1 9   6   5  o 443.4219 13.92673 44.01427       3.833995  42.71489       3.818035  6.692169       27.96914 
1 1 1 9   6   6  o 105.3942 33.87807 0.7278427      2.502616  4.201733       2.523009  -41.77085      55.23316 
1 1 1 9   6   7  o 311.5193 15.41369 22.84827       3.022970  20.16378       2.918429  19.63431       31.07503 
1 1 1 9   6   8  o 296.8563 15.60728 18.07449       2.844316  20.97186       2.883944  -22.41486      31.54751 
1 1 1 9   6   9  o 327.9867 14.53657 25.55503       3.004433  22.13844       2.898837  23.73526       29.29324 
1 1 1 9   6   10 o 117.9841 31.12827 4.835201       2.357661  1.817555       2.266623  41.84649       53.12507 
1 1 1 9   6   11 o 243.4865 16.97646 14.92607       2.599082  11.61304       2.499927  31.29613       34.66033 
1 1 1 9   6   12 o 77.72978 30.93571 -0.1363106     2.189890  1.766482       2.285673  -20.93977      51.07335 
1 1 1 9   6   13 o 682.7527 13.16874 103.4150       5.596310  102.3138       5.558485  3.632324       26.45360 
1 1 1 9   6   14 o 258.9862 14.96379 14.13863       2.402027  15.54243       2.385586  -12.54422      30.26229 
1 1 1 9   6   15 o 581.6983 11.81981 73.94178       4.260400  74.90655       4.269722  -3.782898      23.70842 
1 1 1 9   6   16 o 557.1790 11.39353 70.28544       4.031759  66.40436       3.850382  15.76190       22.85281 
1 1 1 9   6   17 o 224.8103 13.39366 9.942785       1.866673  12.37035       1.852091  -24.98129      27.24161 
1 1 1 9   6   18 o 554.1190 10.80070 66.86550       3.709350  68.23837       3.715742  -5.657166      21.66515 
1 1 1 9   6   19 o 725.9265 12.36576 114.7119       5.527658  117.4662       5.610035  -8.575745      24.78482 
1 1 1 9   6   20 o 712.2570 12.18512 110.5956       5.348990  112.8786       5.419144  -7.245117      24.42096 
1 1 1 9   6   21 o 266.3745 10.12631 15.56003       2.067825  15.68493       1.438755  -2.209198      21.78825 
1 1 1 9   6   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   6   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   6   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   6   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   6   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   6   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   7   0  o 178.5239 43.37574 3.682322       4.529970  12.62174       5.018580  -86.58887      74.23020 
1 1 1 9   7   1  o 273.0856 21.46470 16.69735       3.547919  16.74128       3.668982  0.5114746E-01  43.90072 
1 1 1 9   7   2  o 156.7825 42.70517 8.686126       4.415566  3.492000       4.128714  52.56328       72.76880 
1 1 1 9   7   3  o 136.8050 43.52195 7.012944       4.339903  2.061226       3.992100  48.37478       71.93339 
1 1 1 9   7   4  o 97.50520 35.53122 2.590116       2.774793  1.015410       2.801271  15.82702       58.51906 
1 1 1 9   7   5  o 422.7809 14.79025 41.03215       3.921634  38.01492       3.825965  16.21326       29.74028 
1 1 1 9   7   6  o 380.9432 17.16067 34.32159       3.599220  28.41733       4.711222  38.46164       37.11321 
1 1 1 9   7   7  o 319.0573 15.99811 24.93662       3.254690  20.41459       3.066159  32.21335       32.29773 
1 1 1 9   7   8  o 327.8445 15.34807 23.39299       3.135917  24.17432       3.089898  -5.575470      30.94882 
1 1 1 9   7   9  o 270.0432 16.87920 15.70873       2.774536  16.72964       2.853845  -8.541473      34.18412 
1 1 1 9   7   10 o 347.6236 14.44174 26.66211       3.080985  26.83770       3.134522  -1.048676      29.09006 
1 1 1 9   7   11 o 132.9521 29.48240 2.489068       2.318628  5.972085       2.420101  -49.05943      52.65629 
1 1 1 9   7   12 o 432.1252 13.00418 41.50591       3.519411  41.02769       3.445530  2.398102       26.14140 
1 1 1 9   7   13 o 450.2998 12.75288 44.71784       3.596652  44.78989       3.521883  -0.4881287     25.62088 
1 1 1 9   7   14 o 158.4028 24.78486 5.492655       2.303230  5.964249       2.411703  -6.454437      49.85086 
1 1 1 9   7   15 o 490.4945 12.04783 50.69438       3.631745  55.23729       3.700670  -21.11551      24.19126 
1 1 1 9   7   16 o 196.8646 17.74836 9.273707       2.181456  8.009871       2.108725  14.81111       36.29589 
1 1 1 9   7   17 o 264.7455 14.36726 13.99664       2.326772  17.04008       2.375283  -26.39665      29.06492 
1 1 1 9   7   18 o 332.8095 12.19096 24.69516       2.500371  24.14492       2.524919  3.825531       24.49723 
1 1 1 9   7   19 o 371.3867 11.46668 29.53582       2.653165  31.23446       2.624107  -10.51492      23.03539 
1 1 1 9   7   20 o 251.2248 12.91504 13.33696       1.996413  14.56205       2.015571  -11.18593      26.03908 
1 1 1 9   7   21 o 131.8446 23.08027 1.970181       3.007266  4.449428       1.422859  -28.77387      49.37709 
1 1 1 9   7   22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   7   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   7   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   7   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   7   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   7   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   8   0  o 408.1969 17.77230 38.78671       4.588278  35.20023       4.396636  19.83856       35.82235 
1 1 1 9   8   1  o 567.2361 22.05368 67.23489       7.448163  77.16884       8.080884  -38.67920      44.59588 
1 1 1 9   8   2  o 99.00607 41.43047 1.931913       4.161131  -0.6912284     4.377434  14.93939       68.59942 
1 1 1 9   8   3  o 99.47325 43.05007 -0.4909278     5.031764  0.3743401      4.747706  -1.849991      71.91289 
1 1 1 9   8   4  o 399.3578 24.60171 35.85920       6.252833  35.79700       5.893131  -0.8233643     50.20912 
1 1 1 9   8   5  o 195.6944 26.58654 7.177178       3.139127  10.31660       3.148968  -37.33464      54.86964 
1 1 1 9   8   6  o 361.5481 16.62902 27.37502       3.680018  30.67255       3.760278  -20.82361      33.56844 
1 1 1 9   8   7  o 382.3333 15.92552 30.65420       3.754881  34.14098       3.782820  -20.91977      32.12893 
1 1 1 9   8   8  f 281.6097 19.04548 20.88103       3.350051  14.65564       3.266437  51.23199       39.28605 
1 1 1 9   8   9  o 182.4654 26.82652 8.573256       2.982604  6.749586       2.910409  22.69382       54.66291 
1 1 1 9   8   10 o 171.9635 28.35225 5.984543       2.907877  7.721891       2.930449  -22.38412      56.56686 
1 1 1 9   8   11 o 485.5622 14.32615 54.71692       4.364768  49.76463       4.257977  23.17270       28.82527 
1 1 1 9   8   12 o 152.4531 30.00009 7.061792       2.730291  3.805201       2.741786  43.23779       56.26530 
1 1 1 9   8   13 o 280.4764 16.76119 17.96795       2.915054  16.97820       2.890896  8.099396       33.92110 
1 1 1 9   8   14 o 708.9575 19.73776 111.3851       6.131919  0.000000       0.000000  ?              ?        
1 1 1 9   8   15 o 217.5649 18.02312 10.15481       2.363332  10.91839       2.460809  -7.928543      36.70984 
1 1 1 9   8   16 o 378.8409 13.44851 29.45440       3.031694  34.20431       3.295655  -28.34488      27.00945 
1 1 1 9   8   17 o 612.3890 12.75668 84.72194       4.900465  80.48656       4.793267  15.70087       25.60109 
1 1 1 9   8   18 o 188.4521 21.33727 8.120429       2.431117  7.846750       2.470371  3.583511       44.06421 
1 1 1 9   8   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   8   20 o 105.1001 31.02581 0.4551434      2.152349  4.651187       2.171520  -56.06139      49.79946 
1 1 1 9   8   21 o 245.0902 12.98990 14.84042       2.029901  11.92868       1.911183  27.04610       26.24476 
1 1 1 9   8   22 o 357.3173 9.074109 31.22820       2.589231  26.80757       1.699947  26.28262       19.32731 
1 1 1 9   8   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   8   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   8   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   8   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   8   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   9   0  o 720.6294 16.47399 118.3424       7.466539  110.8687       7.266003  23.50574       33.09901 
1 1 1 9   9   1  o 198.2693 29.97239 8.074445       3.434760  10.09148       3.725706  -22.31050      60.70110 
1 1 1 9   9   2  o 351.6215 25.95871 27.33287       5.455729  28.41255       5.804778  -5.966797      53.16822 
1 1 1 9   9   3  o 350.5482 26.03438 24.24978       5.424342  31.77106       5.840327  -48.59131      53.51087 
1 1 1 9   9   4  o 148.8840 36.92529 4.383159       3.347894  6.260006       3.441102  -22.00754      65.70821 
1 1 1 9   9   5  o 282.1110 30.34584 15.09943       4.966164  22.12454       5.534008  -56.19188      63.48636 
1 1 1 9   9   6  o 110.8102 44.00848 -0.2479143     4.294198  4.345427       4.777000  -37.39841      72.59780 
1 1 1 9   9   7  o 73.67551 32.76542 0.2606263      2.982601  -1.587213      3.034992  11.88117       55.44728 
1 1 1 9   9   8  o 137.8587 34.65787 1.968175       2.812320  7.695214       3.134203  -70.36421      58.47308 
1 1 1 9   9   9  o 231.5310 22.38249 10.54225       3.093923  13.81984       3.261968  -32.67168      46.41556 
1 1 1 9   9   10 o 84.88042 34.78721 0.9753999      2.731957  0.3322360      3.157270  -0.3855896     57.75191 
1 1 1 9   9   11 o 270.9261 19.02566 19.18038       3.155499  13.55055       3.199245  48.82503       39.62471 
1 1 1 9   9   12 f 347.1635 16.06259 28.99432       3.430285  24.41707       3.469542  30.50671       32.57779 
1 1 1 9   9   13 o 625.2848 14.60346 83.35689       5.567136  89.40936       5.766835  -21.86530      29.35448 
1 1 1 9   9   14 o 342.9490 24.65545 26.29008       3.684136  0.000000       0.000000  ?              ?        
1 1 1 9   9   15 o 253.1194 21.31171 14.67947       3.291019  13.86883       3.339943  7.617249       43.54955 
1 1 1 9   9   16 o 247.9940 20.75781 12.75132       2.937814  15.01842       3.452089  -19.87041      42.48146 
1 1 1 9   9   17 f 761.7369 20.89079 128.7117       6.973501  0.000000       0.000000  ?              ?        
1 1 1 9   9   18 o 97.36097 33.92757 3.604381       2.551696  0.3924442      2.478954  37.05105       55.22467 
1 1 1 9   9   19 o 685.9557 14.36077 100.8301       5.921992  107.2911       6.318655  -20.94379      28.87519 
1 1 1 9   9   20 o 413.7893 13.40296 38.26894       3.475573  37.34642       3.397287  4.985626       26.93296 
1 1 1 9   9   21 o 267.6564 20.20001 0.000000       0.000000  16.05835       2.354036  ?              ?        
1 1 1 9   9   22 f 538.3119 15.32514 64.41069       3.614910  0.000000       0.000000  ?              ?        
1 1 1 9   9   23 o 248.0950 9.265258 13.42950       1.277646  13.88604       1.634026  -3.235062      19.15224 
1 1 1 9   9   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   9   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   9   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   9   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   10  0  o 435.7671 17.29991 42.63620       4.657433  41.18851       4.676902  7.647797       34.79436 
1 1 1 9   10  1  o 125.6430 38.27309 4.453767       3.174372  2.623321       3.334358  18.81934       64.47155 
1 1 1 9   10  2  o 708.3492 16.64392 104.3138       7.078205  118.1387       7.573714  -43.96265      33.46310 
1 1 1 9   10  3  o 77.83372 34.99451 -1.009323      3.421970  -1.116899      3.655892  -2.729103      59.59085 
1 1 1 9   10  4  o 475.5433 25.40092 53.16714       7.446348  48.42714       7.485435  23.29010       51.74394 
1 1 1 9   10  5  f 210.4684 43.65350 10.10866       5.283089  11.41151       5.774014  -11.35916      82.73798 
1 1 1 9   10  6  o 161.3947 45.47171 4.193041       4.753801  8.482671       4.738354  -39.67426      77.34078 
1 1 1 9   10  7  o 204.7301 43.96824 12.30897       5.348438  7.960288       5.488575  40.99196       81.42847 
1 1 1 9   10  8  o 174.8108 37.11814 4.476406       3.818644  10.37288       3.987902  -64.57150      67.29080 
1 1 1 9   10  9  o 171.2075 38.15328 7.316445       3.890685  6.731304       4.008687  6.487000       70.49955 
1 1 1 9   10  10 o 266.1550 25.47618 14.26330       4.130156  17.89531       4.180039  -32.14346      53.09348 
1 1 1 9   10  11 o 351.9419 20.96744 36.35653       4.688609  19.92295       4.435510  108.0402       44.23398 
1 1 1 9   10  12 o 307.1284 22.11241 24.04233       4.170400  18.11518       4.198976  45.23538       45.71376 
1 1 1 9   10  13 o 98.48179 39.45409 -2.867157      3.576909  5.639180       3.752365  -70.24548      63.17092 
1 1 1 9   10  14 o 222.1845 38.10796 11.45564       3.580266  0.000000       0.000000  ?              ?        
1 1 1 9   10  15 o 213.4547 26.08710 11.69289       3.403179  8.895870       3.362215  30.71547       54.05570 
1 1 1 9   10  16 o 543.3211 15.58281 61.91937       5.016904  69.04156       5.510809  -29.31970      31.32207 
1 1 1 9   10  17 o 138.8467 34.66320 4.874967       3.089084  4.229107       2.874699  8.776031       61.83989 
1 1 1 9   10  18 o 97.02654 35.67126 1.774574       2.824631  1.757862       2.814357  0.2875748      58.92567 
1 1 1 9   10  19 o 467.3564 14.89187 52.27950       4.466598  44.79474       4.172064  36.15555       29.94425 
1 1 1 9   10  20 o 91.44931 38.41665 1.905746       2.867386  -6.494534      6.282678  3.134705       65.45713 
1 1 1 9   10  21 o 596.5703 13.14315 77.04558       4.836330  80.26893       4.891784  -12.27295      26.43247 
1 1 1 9   10  22 o 242.0313 14.81630 11.49055       2.294285  14.41891       2.141259  -28.78888      30.64724 
1 1 1 9   10  23 o 76.25120 26.30458 1.676903       1.614764  0.9176297      1.422963  13.57036       43.73848 
1 1 1 9   10  24 f 222.7361 10.82983 11.41924       1.344902  10.42085       1.700632  12.00279       22.84838 
1 1 1 9   10  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   10  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   10  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   10  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   11  0  f 434.1638 20.60470 43.41381       5.589765  40.09082       5.478784  17.44806       41.53874 
1 1 1 9   11  1  o 361.8005 22.35472 28.78151       4.967008  29.32197       5.018631  -3.363342      45.23280 
1 1 1 9   11  2  o 305.9291 24.82895 17.48336       4.678944  24.26641       4.663945  -52.06589      51.63434 
1 1 1 9   11  3  o 213.0932 33.79601 11.40239       4.314841  9.450394       4.322046  20.64989       67.93072 
1 1 1 9   11  4  o 376.1269 22.38442 31.31706       5.157130  31.72691       5.242099  -2.323669      45.37040 
1 1 1 9   11  5  o 214.9456 35.00552 8.130295       4.465598  13.42046       4.549567  -54.29764      69.60714 
1 1 1 9   11  6  o 324.3670 31.42667 23.95299       6.108382  24.04713       6.389670  0.5533142      65.37863 
1 1 1 9   11  7  o 107.3554 45.71822 4.033439       5.215323  -3.468081      5.482124  39.86660       75.43351 
1 1 1 9   11  8  o 394.5716 34.44703 41.47351       8.633706  30.77679       8.086782  61.81348       72.10247 
1 1 1 9   11  9  o 204.4790 55.63461 14.59322       7.370082  6.642904       7.122493  60.26204       95.12697 
1 1 1 9   11  10 o 392.8669 21.23990 31.02861       4.937768  38.51835       5.408270  -42.70819      43.04667 
1 1 1 9   11  11 o 108.6440 42.59261 2.037721       4.030368  1.462337       4.350776  1.025276       70.29678 
1 1 1 9   11  12 o 247.0768 28.72780 14.06840       4.148092  13.57246       4.517531  6.174103       59.87376 
1 1 1 9   11  13 o 298.7907 34.71940 0.000000       0.000000  20.36054       4.465667  ?              ?        
1 1 1 9   11  14 o 293.3232 30.01764 20.77632       4.208048  13.27667       8.944438  70.42091       82.62784 
1 1 1 9   11  15 o 341.8433 21.84624 24.15750       4.366490  28.31075       4.895330  -26.88416      44.30842 
1 1 1 9   11  16 o 487.3504 17.50085 51.09562       5.143137  54.16562       5.433090  -13.97989      35.22921 
1 1 1 9   11  17 o 92.54863 38.60037 -1.000935      3.549748  2.385089       3.835177  -28.43121      64.33591 
1 1 1 9   11  18 o 424.8543 17.62892 39.08403       4.595010  41.07690       4.677977  -10.61130      35.55765 
1 1 1 9   11  19 o 133.2672 38.59544 4.532188       3.356694  3.814868       3.390512  7.719101       66.09250 
1 1 1 9   11  20 o 283.7126 31.25356 0.000000       0.000000  18.45626       3.825012  ?              ?        
1 1 1 9   11  21 o 358.9749 16.90982 27.36380       3.487968  30.54950       4.094257  -18.55939      34.39762 
1 1 1 9   11  22 o 266.9748 15.77653 17.30545       2.640397  14.62445       2.563512  22.98119       32.08424 
1 1 1 9   11  23 o 89.68482 30.80530 2.053030       2.585855  1.683164       1.775447  12.17937       52.22970 
1 1 1 9   11  24 o 152.6872 20.66956 5.365905       1.680110  5.552550       2.262153  2.160767       44.43079 
1 1 1 9   11  25 o 180.1133 12.70089 8.321363       1.428243  6.337725       1.392334  25.51971       26.18584 
1 1 1 9   11  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   11  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   11  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   11  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   12  0  o 507.3727 21.16688 57.42027       6.581684  56.62604       6.714922  3.809753       42.66914 
1 1 1 9   12  1  o 148.4821 47.45329 2.576408       4.849987  7.508706       5.025045  -43.54503      78.59599 
1 1 1 9   12  2  o 368.6100 24.02985 30.35843       5.363176  30.05079       5.572059  2.336700       48.76095 
1 1 1 9   12  3  o 403.5898 21.78970 36.27375       5.383345  35.95757       5.488035  1.983368       44.01969 
1 1 1 9   12  4  o 213.0127 35.64979 7.260720       4.495185  13.77190       4.595074  -66.43561      69.79920 
1 1 1 9   12  5  o 192.8402 38.21775 7.778902       4.295314  9.678759       4.534550  -20.03836      72.77026 
1 1 1 9   12  6  o 569.6898 18.86334 69.80119       6.635624  73.90911       6.678443  -16.48547      37.96988 
1 1 1 9   12  7  o 374.8029 23.61059 32.90280       5.506776  29.85535       5.417364  18.64468       47.96862 
1 1 1 9   12  8  o 286.6430 35.11184 19.24871       5.986208  18.39427       6.248288  8.155792       73.22939 
1 1 1 9   12  9  o 425.3969 26.85981 40.82287       7.012206  40.32698       7.091763  2.934509       54.68381 
1 1 1 9   12  10 o 152.6639 59.86569 9.144639       7.639395  -3.498033      9.067706  54.83321       96.01866 
1 1 1 9   12  11 o 567.0805 28.48591 74.82341       9.805301  69.05591       10.18226  24.54285       58.01649 
1 1 1 9   12  12 o 156.3712 43.83966 6.402587       4.301075  5.032425       4.555664  12.25562       75.59165 
1 1 1 9   12  13 o 524.7725 27.61071 0.000000       0.000000  61.53759       6.333142  ?              ?        
1 1 1 9   12  14 f 422.5508 21.23560 47.72037       5.381027  30.47399       5.732367  96.22369       44.94658 
1 1 1 9   12  15 o 183.3296 37.53283 10.37773       4.115702  5.346576       4.133406  54.20346       69.39917 
1 1 1 9   12  16 o 116.6586 42.29014 3.442595       3.849547  1.846473       4.042408  11.94341       69.67838 
1 1 1 9   12  17 o 168.7013 39.29655 3.303968       3.942379  10.63864       4.135681  -77.48215      67.98969 
1 1 1 9   12  18 o 347.3682 21.47744 25.95807       4.569913  28.03047       4.641558  -13.63611      43.65003 
1 1 1 9   12  19 o 317.2135 23.69112 18.55397       4.374344  27.72287       4.931923  -65.21573      48.66988 
1 1 1 9   12  20 o 243.5566 28.66867 12.18317       4.261927  14.99169       4.235175  -27.59291      60.04697 
1 1 1 9   12  21 o 449.4475 16.29179 41.73514       4.378440  48.71772       4.708899  -34.71188      32.89364 
1 1 1 9   12  22 o 183.2836 25.02100 5.022569       2.672768  11.03202       2.879927  -74.07510      51.52065 
1 1 1 9   12  23 o 110.7090 31.39170 2.855695       2.358950  3.148874       2.162871  -3.191925      54.08043 
1 1 1 9   12  24 o 253.4088 15.13690 15.08073       2.595443  14.11537       2.192428  6.114258       31.26187 
1 1 1 9   12  25 o 83.31950 28.07983 3.078670       1.651265  -0.2564089E-01 1.795281  39.82744       44.36103 
1 1 1 9   12  26 o 282.0017 10.77073 17.10718       1.906653  18.49451       1.855731  -11.72186      21.87890 
1 1 1 9   12  27 o 58.53407 21.62772 0.8015388      1.059951  0.6363516      1.018588  3.280163       35.50570 
1 1 1 9   12  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   12  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   13  0  o 125.1272 47.61028 0.7947422      5.058144  4.697585       5.167044  -28.89304      78.18925 
1 1 1 9   13  1  o 138.1201 47.53138 5.979394       4.918998  2.144561       4.938338  30.94563       78.25838 
1 1 1 9   13  2  f 189.0931 43.86227 9.674217       5.046124  7.188885       5.044029  24.12529       79.58656 
1 1 1 9   13  3  o 489.3027 20.78163 55.02678       6.303604  50.99446       6.283192  18.92120       41.89283 
1 1 1 9   13  4  o 467.9732 31.36205 0.000000       0.000000  49.07032       6.400476  ?              ?        
1 1 1 9   13  5  o 383.6625 23.22857 34.49580       5.383972  30.76018       5.628912  23.03946       47.30851 
1 1 1 9   13  6  o 396.3136 22.94097 28.79356       5.366142  42.29708       5.903753  -77.39575      46.69853 
1 1 1 9   13  7  o 223.8807 35.11270 12.78429       4.559698  10.04651       4.889855  28.34113       70.96292 
1 1 1 9   13  8  o 92.83499 40.85368 -1.109110      4.421876  -0.2459026     4.710034  -8.575218      69.09148 
1 1 1 9   13  9  o 407.2904 23.27555 37.27092       5.627543  36.48729       6.114974  5.469482       47.35175 
1 1 1 9   13  10 o 453.7278 27.29545 49.55413       7.695933  42.57045       7.598918  35.50470       55.56878 
1 1 1 9   13  11 o 102.5739 45.14016 1.454686       5.488775  -3.163038      5.647097  22.25034       75.99553 
1 1 1 9   13  12 o 439.3454 35.25165 37.64695       8.881818  51.89917       10.33624  -71.12152      72.52715 
1 1 1 9   13  13 o 117.8438 56.63318 0.000000       0.000000  -10.96852      8.544139  ?              ?        
1 1 1 9   13  14 o 388.2590 23.74353 35.93383       5.497871  30.96292       5.906402  30.79459       48.78231 
1 1 1 9   13  15 o 410.8472 22.67418 32.94252       5.490516  43.37791       6.064758  -57.11688      45.98956 
1 1 1 9   13  16 o 413.1430 22.28339 37.62616       5.550033  38.67495       5.840427  -5.082336      45.21186 
1 1 1 9   13  17 o 235.3661 34.06339 10.08428       4.773912  15.78040       4.885838  -55.24277      69.81841 
1 1 1 9   13  18 o 250.5329 33.08905 18.73615       5.224349  10.85423       4.832153  71.59857       68.58717 
1 1 1 9   13  19 o 208.9489 37.55729 10.42068       4.832176  10.21508       4.557959  1.319092       73.97137 
1 1 1 9   13  20 o 375.2122 20.94084 32.66404       4.977873  30.59477       4.740211  11.94128       42.57387 
1 1 1 9   13  21 o 202.7787 30.02648 10.67947       3.576111  8.539193       3.756494  25.43388       61.91337 
1 1 1 9   13  22 o 261.0227 20.15880 17.44822       3.285595  13.63991       3.193936  33.83780       41.81355 
1 1 1 9   13  23 o 114.0484 35.67488 4.867724       3.154125  2.212640       2.547684  32.09887       60.23558 
1 1 1 9   13  24 o 151.0114 48.62785 6.911111       3.659612  0.000000       0.000000  ?              ?        
1 1 1 9   13  25 o 73.23335 31.39564 -0.6074925     2.156019  2.856933       3.290779  -38.66476      54.44193 
1 1 1 9   13  26 o 179.0927 22.21641 7.744238       2.131051  7.821720       2.855313  10.23128       49.59809 
1 1 1 9   13  27 o 105.8463 26.10475 2.354732       1.717300  3.511755       1.689287  -18.58214      46.53406 
1 1 1 9   13  28 o 60.76495 24.19468 1.072497       1.391850  0.3119209      1.346191  9.939323       39.40927 
1 1 1 9   13  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   14  0  o 278.8068 37.05816 22.00621       6.206493  13.55920       6.295711  71.12651       77.24477 
1 1 1 9   14  1  o 306.5895 31.44508 17.17091       5.655144  26.23071       6.169797  -67.90546      65.73968 
1 1 1 9   14  2  o 612.2914 31.58307 0.000000       0.000000  84.32732       8.453638  ?              ?        
1 1 1 9   14  3  o 467.1398 23.03094 46.76231       6.335309  50.66965       7.024426  -17.91467      46.63979 
1 1 1 9   14  4  o 268.3173 33.56949 16.35150       5.297136  16.40744       5.650940  0.7033081      69.62032 
1 1 1 9   14  5  o 399.1197 23.91979 34.72549       5.657144  36.30091       6.165487  -8.097656      48.55787 
1 1 1 9   14  6  o 130.0075 46.95307 3.233205       4.806326  3.405050       4.903034  -2.161957      77.62306 
1 1 1 9   14  7  o 139.7070 49.48249 2.681094       5.161585  5.562693       5.591909  -25.10667      81.86758 
1 1 1 9   14  8  o 119.0180 48.67897 1.039304       5.607496  1.797591       5.810818  -6.561584      80.72382 
1 1 1 9   14  9  o 233.6675 43.66911 11.28809       5.847107  14.59351       6.382178  -29.00754      84.65199 
1 1 1 9   14  10 o 185.1945 51.36730 10.74215       5.921081  5.287009       6.312395  43.57108       87.56560 
1 1 1 9   14  11 o 148.3226 52.18682 8.758581       5.713619  -0.2466525     6.237689  59.76505       83.59645 
1 1 1 9   14  12 o 220.1572 58.89759 16.14264       8.001441  7.159133       8.415494  63.34601       100.6756 
1 1 1 9   14  13 o 435.8090 37.21628 33.99649       9.779025  53.49220       10.16182  -104.9326      79.15876 
1 1 1 9   14  14 f 418.2662 32.76351 39.87103       7.033439  39.37286       11.24469  19.98566       77.61853 
1 1 1 9   14  15 o 198.6265 64.13570 6.372108       8.535766  14.17251       9.546465  -50.47232      106.6596 
1 1 1 9   14  16 o 337.7095 38.58359 40.87466       10.20689  20.41236       6.720355  118.4349       81.17612 
1 1 1 9   14  17 o 314.3678 36.37130 25.15205       6.994342  20.75555       6.930186  33.18240       76.63998 
1 1 1 9   14  18 o 242.9305 44.26220 14.76024       6.394615  13.55069       6.454630  10.85094       87.09245 
1 1 1 9   14  19 o 445.9641 39.95314 46.75533       7.732697  0.000000       0.000000  ?              ?        
1 1 1 9   14  20 o 106.5311 45.76949 -1.392128      5.305619  2.694175       5.590096  -24.61607      75.88993 
1 1 1 9   14  21 o 88.00557 39.73964 -1.029092      4.595422  -0.9604598     4.630907  -0.7216873     66.71489 
1 1 1 9   14  22 o 257.2567 23.82399 16.51327       3.695363  14.08549       3.825382  23.79158       50.42469 
1 1 1 9   14  23 o 106.7730 37.80272 3.746171       3.839129  2.285475       2.709021  19.48830       63.36319 
1 1 1 9   14  24 o 76.95865 33.69948 -0.2009193     4.032395  0.4553119      2.573022  10.39388       56.56046 
1 1 1 9   14  25 o 210.3743 22.31981 8.716726       2.979148  12.20540       2.769030  -43.77679      49.36767 
1 1 1 9   14  26 o 102.7837 33.63117 2.898534       2.255907  2.993186       2.759301  -1.577576      55.73164 
1 1 1 9   14  27 o 72.33784 31.13729 1.744723       2.136134  -1.636367      3.264188  11.77439       49.85973 
1 1 1 9   14  28 o 64.67935 27.18883 0.2217055      1.848670  1.087434       1.850744  -7.920456      44.01323 
1 1 1 9   14  29 o 112.9909 24.89601 2.661600       1.729766  4.168528       1.667571  -25.19355      45.95649 
1 1 1 9   15  0  o 134.4194 58.82804 0.000000       0.000000  -0.4568015     6.601707  ?              ?        
1 1 1 9   15  1  o 226.9523 45.86189 13.26824       6.069683  11.01087       6.412816  20.35881       87.08052 
1 1 1 9   15  2  o 130.5402 50.63541 7.777659       5.731681  -2.674671      5.995999  64.82603       81.09211 
1 1 1 9   15  3  o 254.2147 52.64288 15.63633       5.676689  0.000000       0.000000  ?              ?        
1 1 1 9   15  4  o 198.4189 49.72206 8.681527       5.969703  10.40756       6.254200  -15.25545      88.64564 
1 1 1 9   15  5  f 360.1215 30.79605 28.78456       6.665745  29.81974       6.971727  -5.761902      63.38235 
1 1 1 9   15  6  o 812.2292 21.68081 152.3411       10.93497  140.4039       10.89305  33.68243       43.68678 
1 1 1 9   15  7  o 529.7175 24.17055 62.40934       7.670925  62.56004       8.198104  0.4396973      48.97254 
1 1 1 9   15  8  o 693.9270 21.73015 103.1922       9.200391  110.7250       9.491141  -24.42615      43.77495 
1 1 1 9   15  9  f 248.1606 44.74028 18.47931       6.682215  10.64011       6.586741  66.84138       86.52411 
1 1 1 9   15  10 o 288.3955 39.92656 20.24546       6.712324  18.10219       7.217969  19.30762       82.90093 
1 1 1 9   15  11 o 722.2181 21.91079 117.9259       9.424636  113.4959       10.23510  15.70239       44.41093 
1 1 1 9   15  12 o 522.1885 24.81882 52.43407       7.565996  71.81967       8.558209  -82.80521      50.32173 
1 1 1 9   15  13 o 838.2286 22.10046 156.5084       11.36017  156.3895       11.60693  0.8821411      44.59602 
1 1 1 9   15  14 o 186.6728 64.26974 6.152178       8.938414  10.80920       9.086349  -27.44992      105.6381 
1 1 1 9   15  15 o 204.6599 64.07449 14.47272       8.952038  6.843589       9.129683  46.82971       106.2434 
1 1 1 9   15  16 o 88.16601 42.88697 -6.692811      7.046893  -10.40209      7.989023  0.9378891      75.76336 
1 1 1 9   15  17 o 150.4940 65.95136 -5.289736      11.47326  7.170941       12.08901  -45.86102      109.2242 
1 1 1 9   15  18 x ?        ?        -33.63549      11.47504  -36.77234      11.55774  2.592133       72.86680 
1 1 1 9   15  19 o 151.2940 56.80580 3.935898       8.609281  5.772185       6.342094  0.5122223      93.17306 
1 1 1 9   15  20 o 148.7017 51.22916 7.886453       5.646622  3.038129       5.808517  34.04379       83.44133 
1 1 1 9   15  21 o 208.3014 42.52586 10.60502       5.158858  11.71377       5.472680  -8.679047      81.72617 
1 1 1 9   15  22 o 169.7300 41.79589 6.742846       4.170456  8.774094       4.603369  -18.50578      75.30260 
1 1 1 9   15  23 f 196.4003 36.83805 11.00154       5.617602  9.716783       3.643705  -6.748123      75.48420 
1 1 1 9   15  24 o 86.62834 37.86670 1.010340       5.688334  0.6606572      3.108891  18.71775       64.08537 
1 1 1 9   15  25 o 116.5337 38.22321 6.301182       3.904006  2.715528       2.763167  32.77193       64.46111 
1 1 1 9   15  26 o 137.0055 38.41570 6.279515       2.904411  4.528178       4.268610  24.14307       64.91757 
1 1 1 9   15  27 o 112.3942 33.65903 2.564021       2.413005  5.258134       2.665830  -29.45813      56.25423 
1 1 1 9   15  28 o 91.75197 32.29883 2.190024       2.351538  2.871357       2.219331  -6.986397      51.87271 
1 1 1 9   15  29 f 75.38916 29.55242 1.060620       2.057607  1.963726       1.970799  -8.185265      46.95459 
1 1 1 9   16  0  o 174.9478 53.76113 7.727773       6.250433  7.105783       6.555152  3.697784       90.77071 
1 1 1 9   16  1  o 137.6918 58.95548 0.8361520      6.344635  0.000000       0.000000  ?              ?        
1 1 1 9   16  2  o 120.3495 51.63437 -1.750985      6.602391  2.711287       7.261178  -28.04811      86.49764 
1 1 1 9   16  3  f 120.9885 52.14921 7.249247       6.937294  -7.785093      7.294072  69.39474       85.77762 
1 1 1 9   16  4  o 307.8949 58.70385 23.20195       7.638834  0.000000       0.000000  ?              ?        
1 1 1 9   16  5  o 227.5834 51.03355 13.70752       6.850926  11.33510       7.216225  19.74602       94.06650 
1 1 1 9   16  6  o 292.4457 39.92902 17.76978       6.903061  22.22488       7.216474  -34.38162      82.81659 
1 1 1 9   16  7  o 556.1643 24.99052 65.46691       8.248829  73.56145       8.999552  -31.65588      50.64529 
1 1 1 9   16  8  o 93.46101 44.23126 -0.1771331     6.632321  -10.42538      6.990413  32.24117       77.18768 
1 1 1 9   16  9  o 312.0059 38.15655 23.76879       7.132896  21.21065       7.334239  20.48889       80.05341 
1 1 1 9   16  10 o 113.1488 50.18182 0.1417592      6.576773  -2.478153      7.537346  2.685410       84.29056 
1 1 1 9   16  11 o 432.2222 31.72631 50.91197       8.068446  32.21735       8.884555  107.3922       70.19140 
1 1 1 9   16  12 o 150.7829 57.18462 3.723194       7.085285  5.422948       7.668501  -13.35771      93.82959 
1 1 1 9   16  13 o 204.7400 71.83364 0.000000       0.000000  10.57381       7.978829  ?              ?        
1 1 1 9   16  14 o 434.5672 30.65153 43.37948       8.088930  42.57556       8.336164  5.391327       63.11436 
1 1 1 9   16  15 o 503.0926 29.78542 57.37831       9.053041  57.43024       9.468531  1.352295       61.03461 
1 1 1 9   16  16 o 151.4406 58.70536 5.392679       7.797915  3.301798       7.948404  10.44138       95.91771 
1 1 1 9   16  17 x ?        ?        -50.14182      10.70787  -45.81240      11.57666  ?              ?        
1 1 1 9   16  18 o 101.5817 49.29225 -7.632794      9.459331  -11.08948      9.988219  4.091248       85.55058 
1 1 1 9   16  19 o 143.3280 60.47902 2.300179       8.957591  4.152286       9.480307  -9.893234      97.94991 
1 1 1 9   16  20 o 128.4334 56.11109 -0.2776677     7.548705  4.839360       9.813255  -30.15547      92.63631 
1 1 1 9   16  21 o 115.7128 48.92667 5.167877       6.177076  -0.7654730     5.923597  30.98399       79.29585 
1 1 1 9   16  22 o 104.5365 44.16520 3.896513       4.896090  -0.5020048     4.944724  23.87139       71.32438 
1 1 1 9   16  23 o 116.5929 45.62970 6.850554       6.378860  2.530911       3.999366  29.47184       75.46286 
1 1 1 9   16  24 o 155.1398 47.44131 12.85282       7.481781  6.249564       4.000779  25.75206       83.27438 
1 1 1 9   16  25 o 175.9766 36.51443 9.188519       4.394039  8.575776       3.475886  -6.428635      70.87915 
1 1 1 9   16  26 o 189.9026 30.86453 8.251706       3.735610  11.20600       3.322789  -42.81523      64.39951 
1 1 1 9   16  27 f 94.81459 37.27955 1.491164       3.082253  4.283791       3.358027  -20.41251      58.78357 
1 1 1 9   16  28 o 92.12989 35.32143 0.7741738      2.924651  4.588190       2.739119  -29.67790      54.77281 
1 1 1 9   16  29 o 59.85412 27.94342 -1.768799      2.799822  0.6879964      2.370136  -8.476509      45.22200 
1 1 1 9   17  0  o 259.3214 46.71907 8.086457       7.060797  25.70909       7.431332  -137.5362      86.73293 
1 1 1 9   17  1  o 224.7687 54.72044 11.17719       7.307137  14.47448       7.834302  -25.00082      98.60003 
1 1 1 9   17  2  o 144.6629 57.11713 3.380376       7.366698  3.704469       7.782922  -4.475708      93.67395 
1 1 1 9   17  3  x ?        ?        -56.99974      8.375611  0.000000       0.000000  ?              ?        
1 1 1 9   17  4  o 176.1973 59.59241 5.865071       7.335224  8.872847       8.223221  -23.34052      99.05152 
1 1 1 9   17  5  o 438.1160 32.42659 47.57724       8.469275  38.73765       9.061046  49.69983       67.88068 
1 1 1 9   17  6  o 159.0481 60.15157 5.494143       7.883571  4.308000       8.400506  3.558777       98.66343 
1 1 1 9   17  7  o 354.7904 38.51108 30.73294       8.297690  27.33685       8.382713  23.35147       80.95265 
1 1 1 9   17  8  o 141.3053 57.31852 7.467885       7.731909  -2.221391      7.939741  47.98164       93.40421 
1 1 1 9   17  9  o 109.5788 50.13334 -2.481748      7.672799  -3.069832      7.620128  2.699860       85.12053 
1 1 1 9   17  10 o 257.2103 53.47640 7.883138       8.150539  25.16738       8.360901  -126.8877      95.09518 
1 1 1 9   17  11 o 157.9689 61.37139 4.824433       8.403132  4.663634       8.849955  -1.631760      100.3347 
1 1 1 9   17  12 o 301.8243 51.06168 16.31894       8.844286  29.08365       9.647114  -88.81555      101.2408 
1 1 1 9   17  13 o 98.32460 47.50097 -6.504511      8.489573  -10.90441      9.078988  6.423424       83.19223 
1 1 1 9   17  14 o 247.8359 58.48965 10.55900       8.680321  20.93061       9.022137  -73.41446      104.3086 
1 1 1 9   17  15 o 252.9831 57.22936 25.33694       8.599189  6.283842       8.951971  132.1761       97.62392 
1 1 1 9   17  16 o 713.7626 25.44016 108.6630       10.90426  121.9194       11.62185  -40.40192      51.70788 
1 1 1 9   17  17 o 101.1544 47.92167 0.1857100      7.919987  -10.68001      8.137358  31.51711       82.52076 
1 1 1 9   17  18 o 128.3769 54.80005 0.6136340      7.766557  2.973955       7.654353  -9.672928      89.37315 
1 1 1 9   17  19 o 231.6363 70.36864 20.35559       10.74281  12.83811       11.27930  41.00774       116.2365 
1 1 1 9   17  20 f 177.2028 67.73295 9.964891       10.21537  10.34993       10.54446  -1.593384      106.3651 
1 1 1 9   17  21 o 239.9883 50.15630 18.57922       5.987751  10.49207       9.799725  81.28560       91.71569 
1 1 1 9   17  22 o 118.3061 49.86506 1.949380       6.318439  4.639546       6.180411  -11.76882      78.78285 
1 1 1 9   17  23 o 80.81448 39.09004 -19.58011      9.769835  0.3380434      4.695040  -8.960831      64.64921 
1 1 1 9   17  24 o 125.4870 46.57624 1.977774       5.684416  6.969867       4.268046  -29.69218      72.15921 
1 1 1 9   17  25 o 120.7855 50.18633 0.7397416      8.867663  7.475576       5.036719  -23.42007      74.79562 
1 1 1 9   17  26 o 111.0810 41.76455 6.527720       4.358760  3.075097       3.570638  20.58295       65.61150 
1 1 1 9   17  27 o 88.21529 38.18906 3.353943       3.609160  0.7097982      4.134635  11.83125       59.00370 
1 1 1 9   17  28 f 99.16508 41.80610 4.205989       3.106556  0.000000       0.000000  ?              ?        
1 1 1 9   17  29 o 65.31233 32.08788 -1.816489      3.183547  0.000000       0.000000  ?              ?        
1 1 1 9   18  0  o 280.0596 50.85078 22.41855       8.421151  17.54427       8.599390  38.21138       101.2083 
1 1 1 9   18  1  o 166.7634 60.62809 2.927811       8.154512  10.58001       8.067517  -42.82310      97.97146 
1 1 1 9   18  2  o 218.6896 59.26554 15.77511       8.329700  9.378993       8.150561  44.79585       102.4171 
1 1 1 9   18  3  o 239.9903 57.02747 10.08357       8.360931  19.33041       8.366511  -67.35797      101.5137 
1 1 1 9   18  4  o 102.8025 48.54815 -2.971292      8.046722  -7.774312      8.186384  13.91108       83.67925 
1 1 1 9   18  5  o 99.02859 47.26060 -8.316365      8.042211  -4.693815      8.157825  -11.91164      82.26996 
1 1 1 9   18  6  o 807.3613 39.54010 0.000000       0.000000  150.2249       13.95995  ?              ?        
1 1 1 9   18  7  o 90.93941 45.93722 0.000000       0.000000  -26.97996      8.790838  ?              ?        
1 1 1 9   18  8  o 263.9818 54.70859 15.95977       8.673247  18.30623       8.655023  -17.64539      103.7575 
1 1 1 9   18  9  o 154.8104 60.92218 12.97880       8.565877  -4.641188      8.599514  90.02342       97.01492 
1 1 1 9   18  10 o 207.8392 64.14796 16.38486       9.089442  5.431954       9.102772  68.33838       105.6875 
1 1 1 9   18  11 o 377.8879 41.92206 33.36773       9.513558  33.51703       9.817360  0.7326050      88.70832 
1 1 1 9   18  12 o 108.7943 51.06792 -9.729441      8.541632  0.1683053E-01  8.954672  -34.40868      88.33034 
1 1 1 9   18  13 x ?        ?        -45.90624      9.640627  -28.71966      9.901747  ?              ?        
1 1 1 9   18  14 o 572.5859 46.02239 78.48428       11.46148  0.000000       0.000000  ?              ?        
1 1 1 9   18  15 o 293.3372 60.34568 34.58112       9.392632  1.293769       12.48280  192.3723       98.73608 
1 1 1 9   18  16 o 112.8028 51.99035 -3.845648      8.336583  -1.266823      8.534451  -9.992737      87.22507 
1 1 1 9   18  17 o 224.2628 65.00019 23.82211       11.72456  9.884933       8.279824  74.05800       112.9631 
1 1 1 9   18  18 o 325.7683 64.73160 0.000000       0.000000  30.84228       8.923645  ?              ?        
1 1 1 9   18  19 o 103.5898 48.15318 -0.4830393     6.758198  -4.302002      8.460934  1.077019       79.80139 
1 1 1 9   18  20 o 130.1063 53.60133 5.695083       6.539521  1.924678       7.531939  13.98819       84.89028 
1 1 1 9   18  21 o 97.22832 45.37878 -0.5039375     6.180100  -2.286644      7.483130  -1.687828      74.17191 
1 1 1 9   18  22 o 117.5484 56.08308 -1.681735      11.32198  5.494463       11.45649  -12.43440      86.06404 
1 1 1 9   18  23 o 114.8296 54.48799 1.077560       10.76584  3.509993       10.17512  -3.703690      83.11962 
1 1 1 9   18  24 o 84.91850 40.21254 -4.190198      6.201959  1.632905       5.207622  -12.21786      64.37446 
1 1 1 9   18  25 o 112.8215 49.98603 0.000000       0.000000  5.631204       4.904646  ?              ?        
1 1 1 9   18  26 o 73.75432 35.59949 3.376393       6.528272  -3.109483      4.086925  25.38929       59.56232 
1 1 1 9   18  27 o 73.32587 33.80916 -1.492125      3.607377  2.629300       3.536922  -16.92165      53.42193 
1 1 1 9   18  28 o 68.73813 32.72354 1.580546       3.628936  -2.402481      4.077622  10.97327       51.63372 
1 1 1 9   19  0  o 146.9444 64.25594 3.903470       9.537816  2.552580       13.88510  -9.382919      103.5728 
1 1 1 9   19  1  o 136.1244 57.75224 1.607702       8.789280  3.603107       8.187031  -5.263504      93.48874 
1 1 1 9   19  2  o 190.8204 63.08250 14.67435       9.465466  6.781249       8.064684  47.18335       104.2435 
1 1 1 9   19  3  o 137.6727 58.79569 0.2615411      9.389560  3.651289       8.449739  -8.501160      95.73192 
1 1 1 9   19  4  o 298.8639 54.15881 26.93999       9.713477  18.71432       9.629029  57.95007       107.2917 
1 1 1 9   19  5  o 239.1485 61.75713 13.80026       9.266378  16.59586       9.184203  -18.99892      109.2026 
1 1 1 9   19  6  o 143.0775 60.48671 0.8732437      9.345950  3.684888       9.134523  -10.46443      98.88212 
1 1 1 9   19  7  o 341.8057 48.21133 34.92641       10.11546  22.44519       9.770770  83.32251       101.1398 
1 1 1 9   19  8  o 128.1744 57.64501 -5.243141      9.437785  2.868487       9.760292  -30.46863      96.36237 
1 1 1 9   19  9  o 144.0193 60.68940 4.201641       9.151256  0.4087670      9.356263  14.74693       99.28804 
1 1 1 9   19  10 o 171.3028 63.56466 2.781390       8.738665  11.32657       9.262108  -47.22452      103.2063 
1 1 1 9   19  11 o 497.9397 35.50815 47.33243       10.89165  67.78851       10.90008  -98.32834      75.81311 
1 1 1 9   19  12 o 151.4182 63.13918 16.93190       10.00039  -9.305683      9.713745  113.1136       100.8441 
1 1 1 9   19  13 o 187.5663 66.04237 3.324048       9.467399  15.44235       9.621713  -64.69728      106.1813 
1 1 1 9   19  14 o 327.2263 50.88741 15.96817       9.741664  39.56603       10.26661  -155.2448      101.5763 
1 1 1 9   19  15 o 287.9364 65.18290 26.70027       9.514079  15.12798       15.03845  85.87759       116.7699 
1 1 1 9   19  16 o 356.5126 47.62547 33.60318       10.35888  31.47081       10.18191  12.57596       104.0450 
1 1 1 9   19  17 o 151.6365 59.47598 3.834478       7.578573  8.817928       8.891086  -27.11276      95.72955 
1 1 1 9   19  18 o 151.2177 58.68275 5.562870       7.411435  7.597887       8.432007  -11.51685      93.50684 
1 1 1 9   19  19 f 116.0543 51.39983 5.308332       6.976619  -2.988820      7.737661  27.32688       82.25648 
1 1 1 9   19  20 o 154.4741 55.90582 9.408818       6.354761  5.746008       7.577491  20.73457       87.94240 
1 1 1 9   19  21 o 106.5893 47.87835 -1.295313      6.425828  5.508448       6.781214  -25.12019      75.91508 
1 1 1 9   19  22 o 120.4978 49.49759 7.432439       5.799992  1.760121       6.074093  26.02481       76.51751 
1 1 1 9   19  23 o 91.27391 42.05093 4.709610       7.291296  -0.9971381     4.608821  27.34002       69.36011 
1 1 1 9   19  24 o 97.15993 44.88870 16.36311       10.47240  -0.9725971     4.962366  42.46505       75.39104 
1 1 1 9   19  25 o 99.35637 48.74152 -4.029650      9.842705  13.56068       10.75299  -21.14280      72.21218 
1 1 1 9   19  26 o 100.1449 48.82293 4.185407       9.891525  6.911573       9.783350  -3.408371      70.16388 
1 1 1 9   19  27 o 81.52161 38.38504 -0.3630559     5.146204  3.731328       4.876657  -10.77904      58.06741 
1 1 1 9   19  28 o 87.37653 39.38417 3.573503       4.648054  3.464664       4.378462  0.1103973      57.90176 
1 1 1 9   20  0  o 116.5410 55.15998 -1.427534      10.72831  -5.264913      10.45215  10.23843       90.70068 
1 1 1 9   20  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   20  2  o 185.3914 84.97351 0.000000       0.000000  10.79159       15.62782  ?              ?        
1 1 1 9   20  3  o 129.3287 58.98426 -8.121286      11.35504  5.083987       9.775978  -29.95457      96.00561 
1 1 1 9   20  4  o 152.2558 62.15950 11.54241       9.763803  -0.3826063     8.867998  54.36555       100.2676 
1 1 1 9   20  5  o 123.8005 56.34958 6.213202       9.715754  -7.852651      9.300600  48.09143       93.94373 
1 1 1 9   20  6  o 199.7514 66.93681 13.32142       9.990909  9.622623       9.558989  20.07538       109.5503 
1 1 1 9   20  7  o 288.7008 55.99392 26.72955       9.619377  17.00923       9.713019  68.64542       108.1075 
1 1 1 9   20  8  o 361.4089 46.02009 29.59424       9.861272  35.27546       10.32153  -34.06064      99.46470 
1 1 1 9   20  9  o 528.4161 35.54840 67.07681       11.49499  64.33321       11.67618  13.73373       74.61864 
1 1 1 9   20  10 o 190.3707 68.13876 11.01543       10.37168  9.078105       10.02946  10.03912       110.2566 
1 1 1 9   20  11 o 370.0826 49.77246 33.70820       10.97162  35.70014       11.30976  -9.695465      108.0376 
1 1 1 9   20  12 o 342.4445 53.16859 25.44775       10.51593  36.39008       11.39319  -64.92444      111.6599 
1 1 1 9   20  13 o 185.0113 67.02514 6.185509       9.457386  14.18318       10.41306  -39.90776      108.0070 
1 1 1 9   20  14 o 270.7194 61.58004 16.63206       9.779021  25.77620       10.47085  -54.94118      113.4902 
1 1 1 9   20  15 f 135.3279 63.36346 -1.556874      9.414165  0.000000       0.000000  ?              ?        
1 1 1 9   20  16 o 117.4234 53.62725 3.172404       8.480004  -4.142602      8.935075  20.53389       87.25916 
1 1 1 9   20  17 o 140.4958 57.83218 2.561085       7.650966  8.474009       8.687878  -27.24495      91.96417 
1 1 1 9   20  18 o 101.6786 48.04596 1.125004       7.550273  -6.648907      8.469835  16.00750       78.71119 
1 1 1 9   20  19 o 118.1995 52.41331 6.174565       7.256624  -1.612898      8.096621  23.93063       82.33787 
1 1 1 9   20  20 o 100.4271 46.77852 -0.3451823     6.575717  1.190789       7.784592  -8.549408      74.51275 
1 1 1 9   20  21 o 104.3832 47.03526 8.864846       6.183850  -5.882826      6.691926  50.15855       74.41985 
1 1 1 9   20  22 o 106.7699 47.17046 3.737851       6.058839  2.519806       6.212769  4.163811       72.77074 
1 1 1 9   20  23 o 83.72771 40.06474 -0.3867418     7.746953  -0.9582487     4.955717  10.71931       64.45679 
1 1 1 9   20  24 o 91.22197 42.75604 5.208210       7.667812  0.4427363      5.202458  14.41212       66.20776 
1 1 1 9   20  25 o 73.73430 36.61234 -2.917556      10.79692  -3.329929      5.018690  14.10894       59.62791 
1 1 1 9   20  26 o 85.86556 40.42345 -2.187309      6.497034  5.385606       4.920829  -16.67743      60.18156 
1 1 1 9   20  27 o 65.28016 32.50151 -4.873127      5.761312  -1.222041      4.791612  -2.959084      51.39395 
1 1 1 9   20  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   21  0  o 143.5223 63.49707 6.154664       11.64036  4.134458       10.72316  7.026520       98.78941 
1 1 1 9   21  1  o 111.2928 53.61655 -1.324190      11.83886  -8.042857      10.29533  19.88296       88.92224 
1 1 1 9   21  2  o 154.7896 72.06018 4.254098       11.89430  0.000000       0.000000  ?              ?        
1 1 1 9   21  3  o 138.7657 69.02151 0.000000       0.000000  -11.24871      16.45133  ?              ?        
1 1 1 9   21  4  o 138.3208 65.70300 -6.131503      15.89990  2.576438       14.73430  -11.95679      104.3821 
1 1 1 9   21  5  o 106.1581 50.87153 -4.849261      9.949018  -5.895801      9.274383  6.325523       85.29527 
1 1 1 9   21  6  o 220.1477 68.64460 7.257707       10.22205  24.01890       10.55818  -87.85625      110.5901 
1 1 1 9   21  7  o 144.7072 61.54388 -2.842973      9.236459  12.28416       10.15114  -60.32994      99.39593 
1 1 1 9   21  8  o 145.7271 62.72708 2.044769       10.39219  5.457399       10.13002  -10.85912      100.1128 
1 1 1 9   21  9  o 165.6795 74.03260 0.000000       0.000000  5.588198       10.99492  ?              ?        
1 1 1 9   21  10 o 264.7541 65.37502 19.95922       10.15825  22.21517       11.27214  -6.468735      117.7495 
1 1 1 9   21  11 o 151.9163 66.72694 4.277789       10.01296  4.148705       16.52005  -15.02583      107.6815 
1 1 1 9   21  12 o 95.65456 47.11607 -8.196027      9.509410  -13.21320      10.37322  4.103470       80.87033 
1 1 1 9   21  13 f 143.9683 61.19006 -4.949762      9.274899  15.22826       9.829349  -77.57011      97.92657 
1 1 1 9   21  14 f 167.6998 68.53293 5.289660       13.59622  11.06947       9.874106  -15.95354      105.9506 
1 1 1 9   21  15 o 157.6371 74.76177 5.852773       13.88644  0.000000       0.000000  ?              ?        
1 1 1 9   21  16 o 205.5266 63.88313 9.852188       8.596391  20.28120       9.473174  -52.59718      104.2503 
1 1 1 9   21  17 o 107.6430 50.41138 -3.107044      8.110248  1.971362       8.801068  -16.18373      81.46672 
1 1 1 9   21  18 o 131.8180 56.59979 2.183650       7.836185  10.32409       8.889602  -28.12917      87.58361 
1 1 1 9   21  19 o 120.1047 52.68082 8.071847       7.013138  -0.2619119     8.166599  25.70998       80.49236 
1 1 1 9   21  20 o 110.6503 49.81312 3.088012       6.647151  3.019416       7.878733  -1.926964      76.95782 
1 1 1 9   21  21 o 121.4361 50.69148 5.820421       6.094223  5.355603       6.667624  2.192307       76.88407 
1 1 1 9   21  22 o 82.19650 39.93249 -3.200983      6.221697  -0.3585148     6.648069  -7.701759      63.72330 
1 1 1 9   21  23 o 92.31945 43.15792 -0.9215251     7.880206  3.507390       5.197765  -6.628555      65.43858 
1 1 1 9   21  24 o 84.21275 40.67910 2.400645       8.190731  0.7368828E-01  5.462784  7.976440       62.47294 
1 1 1 9   21  25 o 78.30038 38.73950 2.578150       11.20229  -1.703760      5.483850  11.48679       60.33746 
1 1 1 9   21  26 o 77.13937 37.81966 5.579748       6.576541  -3.069799      5.801852  15.50331       57.63145 
1 1 1 9   21  27 o 65.31323 32.78311 -10.72296      6.496497  2.690414       5.302686  -14.91619      51.40952 
1 1 1 9   22  0  o 131.7522 59.03548 0.6964045      11.80182  6.302830       8.778483  -9.443619      91.14513 
1 1 1 9   22  1  o 125.9808 59.20803 3.244041       9.753357  -5.046619      16.17656  1.043869       93.01573 
1 1 1 9   22  2  o 106.2470 51.31492 0.3351718      10.44115  -8.991157      10.00826  20.33727       84.40768 
1 1 1 9   22  3  o 164.4441 70.65421 7.159735       13.20954  12.48884       12.74321  -13.83109      107.0958 
1 1 1 9   22  4  o 132.2200 62.04197 -13.33710      13.24582  12.85404       12.54565  -51.58688      99.52587 
1 1 1 9   22  5  o 120.4015 57.37521 -9.729913      13.19423  2.641202       10.84035  -15.91412      92.01665 
1 1 1 9   22  6  f 162.4212 78.62197 0.000000       0.000000  9.085951       17.19963  ?              ?        
1 1 1 9   22  7  o 143.0886 71.03854 0.000000       0.000000  -5.753534      17.10711  ?              ?        
1 1 1 9   22  8  o 176.0379 72.80410 5.950446       15.55212  14.54186       11.32915  -24.11288      110.2076 
1 1 1 9   22  9  o 175.4129 83.21956 0.000000       0.000000  12.81760       17.23364  ?              ?        
1 1 1 9   22  10 o 136.0660 63.79257 -6.474692      13.01110  9.129066       14.20648  -33.44431      101.8534 
1 1 1 9   22  11 f 191.3037 75.69046 11.06939       13.14287  18.75126       13.48887  -23.20564      114.8987 
1 1 1 9   22  12 o 137.3028 61.58162 1.770504       9.656019  6.898213       12.69000  -19.55412      97.59129 
1 1 1 9   22  13 o 107.1954 51.47931 -2.224417      9.953374  -5.562104      9.934087  7.112328       84.12970 
1 1 1 9   22  14 o 104.9650 52.27792 0.000000       0.000000  -11.59109      9.565612  ?              ?        
1 1 1 9   22  15 f 106.2258 51.28720 -1.692011      8.559667  -6.945791      13.32805  -6.184990      83.04721 
1 1 1 9   22  16 o 113.1989 52.66542 7.350072       8.744259  -5.067302      9.198967  29.44180       82.87031 
1 1 1 9   22  17 o 91.32250 44.94172 -3.940142      8.077333  -7.565381      10.19104  -1.868561      73.08061 
1 1 1 9   22  18 o 107.9902 50.26040 4.716410       7.910646  -1.700128      8.467161  14.75979       78.09121 
1 1 1 9   22  19 o 122.6646 53.50352 7.914496       7.047316  2.222844       8.483871  17.40345       80.57475 
1 1 1 9   22  20 o 105.7335 52.26735 0.000000       0.000000  0.6864275      8.896966  ?              ?        
1 1 1 9   22  21 o 72.56749 36.14819 -7.055599      6.421129  -3.807476      6.538138  -6.113632      59.29861 
1 1 1 9   22  22 o 75.62059 37.45537 -7.622401      6.560251  1.064052       6.596330  -15.05708      60.14468 
1 1 1 9   22  23 o 80.36023 39.16587 -2.629729      8.560409  0.6765010      5.236394  0.8557587      60.39202 
1 1 1 9   22  24 o 76.84744 38.00715 3.633848       8.697491  -3.274026      5.629121  14.74004       59.66490 
1 1 1 9   22  25 o 82.24155 40.93211 -5.850381      12.12545  4.951203       6.637788  -7.526466      59.50990 
1 1 1 9   22  26 o 78.90425 38.88245 -2.833328      7.327140  6.564647       6.333076  -12.57088      56.89982 
1 1 1 9   23  0  o 108.4482 52.61166 -2.520959      11.37273  -2.729895      10.74944  1.946281       83.33339 
1 1 1 9   23  1  o 116.0127 55.63046 -6.129366      12.95353  2.342974       10.46882  -8.660606      87.43008 
1 1 1 9   23  2  o 120.8207 57.32753 -8.442431      13.19046  7.126076       10.43428  -22.27698      88.92005 
1 1 1 9   23  3  o 142.2812 64.04881 12.44586       13.73795  3.835997       10.61119  19.67371       97.72817 
1 1 1 9   23  4  o 115.8623 55.80305 1.812282       13.37333  -4.555214      10.79939  16.90414       89.14855 
1 1 1 9   23  5  o 123.1908 58.21462 9.431387       13.47018  -4.823887      10.49025  33.51891       93.42485 
1 1 1 9   23  6  o 127.9759 61.25054 -0.7879641     14.13377  0.6332750      13.51436  -1.132751      95.47980 
1 1 1 9   23  7  o 151.3570 73.62102 0.000000       0.000000  6.757768       15.56714  ?              ?        
1 1 1 9   23  8  o 115.9758 57.23355 -1.056961      14.06584  -15.12469      15.81649  12.62277       91.51836 
1 1 1 9   23  9  o 144.8147 66.47659 1.382276       12.97021  13.57486       14.32336  -24.00116      100.9809 
1 1 1 9   23  10 o 213.4511 79.23408 22.48243       13.40612  23.86153       14.61023  1.661819       116.1479 
1 1 1 9   23  11 o 146.2602 64.15321 7.652627       9.622672  9.339392       13.78363  -3.569702      96.96861 
1 1 1 9   23  12 o 115.7134 55.66041 -1.146492      10.50966  -0.4270703E-01 13.51726  -7.759827      87.37237 
1 1 1 9   23  13 o 122.7219 56.88274 -16.92146      10.10186  25.05189       10.52469  -107.7226      93.78000 
1 1 1 9   23  14 o 116.7739 57.20282 0.000000       0.000000  -1.133448      9.888534  ?              ?        
1 1 1 9   23  15 o 122.2520 56.58318 7.922447       8.971493  -2.984786      11.94072  18.94598       85.87362 
1 1 1 9   23  16 o 134.4193 58.68879 11.22195       8.832359  2.805126       9.719400  23.74826       87.72869 
1 1 1 9   23  17 o 97.50138 47.05169 2.446875       8.350272  -5.600341      8.758129  14.60700       74.47493 
1 1 1 9   23  18 o 93.32603 45.26217 -4.217915      7.555851  2.542849       8.940282  -16.24133      71.88026 
1 1 1 9   23  19 o 100.7904 47.69074 2.835677       7.306376  1.490184       8.674762  1.161339       72.35281 
1 1 1 9   23  20 o 120.8527 52.94836 2.440103       7.238455  14.67711       7.978580  -32.40401      77.74162 
1 1 1 9   23  21 o 82.71677 40.49017 -1.627527      6.831825  0.5193185      7.113252  -4.275803      62.39951 
1 1 1 9   23  22 o 102.1141 47.36600 12.88852       7.321175  -0.4544155     7.021469  29.01342       69.46743 
1 1 1 9   23  23 o 91.42648 43.35032 5.272301       9.079967  3.383694       5.435403  2.199699       63.55040 
1 1 1 9   23  24 o 75.01083 37.50774 -10.77954      8.784647  4.900286       6.338725  -14.21183      56.61462 
1 1 1 9   23  25 o 69.94435 35.49166 5.018757       12.69090  -4.916796      6.291378  11.13632       54.51312 
1 1 1 9   23  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   24  0  o 129.1485 62.57968 8.583799       13.44309  -0.8890545     18.96821  8.130234       92.43839 
1 1 1 9   24  1  o 116.0885 55.72359 6.926121       13.44286  -2.323266      10.38106  18.60220       86.62762 
1 1 1 9   24  2  o 101.1279 50.10160 -1.658887      13.45137  -8.945338      10.63343  15.85192       80.68015 
1 1 1 9   24  3  o 98.38799 48.48001 -8.947729      10.28448  -2.860889      10.78824  -10.86962      78.63762 
1 1 1 9   24  4  o 113.8203 56.00114 10.99330       13.95319  -15.56680      13.79902  32.22220       88.33295 
1 1 1 9   24  5  o 115.9585 55.74312 4.581598       10.41810  -6.217098      13.69364  11.20147       85.86226 
1 1 1 9   24  6  o 125.7781 59.24219 11.63833       14.49622  -0.2778359     10.38755  23.38273       91.56527 
1 1 1 9   24  7  o 129.7417 62.15165 4.892243       13.67395  3.426524       15.00533  1.170044       93.28374 
1 1 1 9   24  8  o 156.5879 76.36983 0.000000       0.000000  21.55741       17.06605  ?              ?        
1 1 1 9   24  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   24  10 o 143.6313 70.43235 12.10269       15.11138  0.000000       0.000000  ?              ?        
1 1 1 9   24  11 o 115.6156 58.12126 0.000000       0.000000  -7.236822      13.16665  ?              ?        
1 1 1 9   24  12 o 104.5477 51.91393 -2.284504      12.55687  -10.06992      13.36832  7.152962       81.93391 
1 1 1 9   24  13 o 113.5499 55.38651 0.2817281      11.98595  -0.1629707     13.57250  -1.404991      84.70752 
1 1 1 9   24  14 o 115.3211 56.53556 0.000000       0.000000  1.500035       9.717460  ?              ?        
1 1 1 9   24  15 o 90.50943 45.11470 -12.99216      8.812687  6.499385       12.40436  -33.05334      75.37114 
1 1 1 9   24  16 o 116.4851 53.85470 2.730315       8.695624  8.901818       9.687913  -13.04232      80.18720 
1 1 1 9   24  17 o 89.68348 43.99745 -1.749927      7.942799  -2.323484      8.869700  -1.250854      68.81274 
1 1 1 9   24  18 o 108.2886 50.86366 7.597832       8.177945  2.422545       9.325687  9.966896       74.46460 
1 1 1 9   24  19 o 88.09919 43.39518 -1.270989      7.690038  1.165778       9.380073  -5.577263      66.17145 
1 1 1 9   24  20 o 113.4176 50.90339 11.04949       7.593273  5.742555       7.294076  11.73331       72.05132 
1 1 1 9   24  21 o 87.45235 42.35032 5.838963       7.259145  -1.691066      6.907318  13.59293       63.69873 
1 1 1 9   24  22 f 79.11333 39.08796 -4.797047      7.678818  4.059901       6.481733  -11.08639      58.88247 
1 1 1 9   24  23 o 75.08546 37.29683 -0.2891726     9.121777  0.3708779      5.547292  2.434944       55.99578 
1 1 1 9   24  24 o 76.68208 38.17624 8.002567       9.042845  -0.8485787     6.140430  9.654213       56.24895 
1 1 1 9   24  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   25  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   25  2  o 100.1182 49.18133 -11.51250      10.46331  5.697419       10.67004  -25.68706      78.43126 
1 1 1 9   25  3  o 131.9654 59.88226 6.652941       10.53052  9.085978       10.72966  -5.082794      88.19472 
1 1 1 9   25  4  o 115.2666 54.32702 8.596925       9.746964  -2.480913      10.43097  20.54067       82.47948 
1 1 1 9   25  5  o 146.5550 65.38626 5.137793       14.20953  15.81176       10.68903  -24.50105      93.87560 
1 1 1 9   25  6  o 118.2408 58.03114 1.190048       13.98482  2.333577       15.31446  -2.167641      87.12096 
1 1 1 9   25  7  o 116.1141 57.14368 -5.602488      14.05688  10.25063       14.93572  -17.04101      86.06705 
1 1 1 9   25  8  o 97.33171 49.22731 -12.59583      14.50498  -9.504724      14.58713  -2.494064      77.50224 
1 1 1 9   25  9  f 120.4764 60.63380 0.000000       0.000000  4.053176       14.54502  ?              ?        
1 1 1 9   25  10 o 119.0401 58.34332 6.629456       15.46179  3.083401       13.87770  3.977242       85.81773 
1 1 1 9   25  11 o 122.5470 61.86358 8.307292       15.79327  0.000000       0.000000  ?              ?        
1 1 1 9   25  12 o 93.49553 47.61613 -16.39083      14.97575  -11.96899      15.72293  -3.879845      74.91424 
1 1 1 9   25  13 f 100.0578 50.58738 -8.057226      14.58391  -3.684247      16.07345  -4.437004      77.16503 
1 1 1 9   25  14 o 103.7715 52.61567 0.000000       0.000000  -2.587154      12.22780  ?              ?        
1 1 1 9   25  15 o 87.92397 44.55087 -3.610040      11.29965  -15.58484      13.52524  5.442932       69.47252 
1 1 1 9   25  16 o 88.17609 44.30671 -6.466812      10.75882  -1.701036      10.75521  -4.497765      68.12078 
1 1 1 9   25  17 o 87.96665 43.42973 1.755044       8.020614  -3.456375      9.302822  5.204781       66.02432 
1 1 1 9   25  18 f 98.11715 47.34334 0.9874998      8.079941  9.129753       9.353355  -12.05437      69.34223 
1 1 1 9   25  19 o 88.69893 43.29307 3.567844       7.594943  -0.4675725     8.020517  5.871582       64.65633 
1 1 1 9   25  20 o 72.48528 36.41188 -4.171810      7.271640  -3.616175      7.205754  -0.5263214     56.83831 
1 1 1 9   25  21 o 87.68193 42.66011 3.093205       7.547898  5.941540       7.270111  -4.236519      61.05891 
1 1 1 9   25  22 o 82.52630 40.39108 -0.2599062     8.189984  5.395296       6.111162  -7.811211      58.38580 
1 1 1 9   25  23 o 72.77042 36.59226 3.471377       10.03073  -0.6232098     6.140356  5.086662       54.14005 
1 1 1 9   26  4  o 108.7531 52.42722 6.603154       10.64111  -1.443666      10.45233  12.55118       79.12070 
1 1 1 9   26  5  o 104.0223 51.42292 9.553028       15.04648  -6.007546      10.50604  20.74596       79.77004 
1 1 1 9   26  6  o 117.3440 57.95090 13.35247       15.69056  -0.2723472     15.00483  11.88682       84.23263 
1 1 1 9   26  7  o 98.30336 50.44046 0.000000       0.000000  -16.40598      14.44272  ?              ?        
1 1 1 9   26  8  o 107.2119 54.61994 0.000000       0.000000  -3.898573      14.36202  ?              ?        
1 1 1 9   26  9  o 107.9392 53.55898 7.420441       13.34198  -5.757022      14.04543  11.99412       80.05812 
1 1 1 9   26  10 f 102.7061 50.39850 2.433694       9.177767  -4.457625      14.65878  2.038261       76.30176 
1 1 1 9   26  11 o 124.6559 58.03337 5.002269       9.059264  21.41742       14.72004  -16.83776      84.21895 
1 1 1 9   26  12 o 104.7681 50.50580 0.2046889      9.041146  7.692947       10.75238  -12.09976      75.54607 
1 1 1 9   26  13 o 90.67528 45.64188 -8.112750      9.631333  4.648142       16.04088  -16.57600      71.41096 
1 1 1 9   26  14 o 101.4684 51.34155 11.77164       15.70033  -8.324282      16.16451  11.39350       75.06537 
1 1 1 9   26  15 o 98.62180 50.04081 9.666771       14.70722  -9.941099      17.26436  9.673012       73.04252 
1 1 1 9   26  16 o 86.31666 44.27395 -13.68707      14.52962  -5.910789      16.90583  -5.110847      67.10492 
1 1 1 9   26  17 o 79.27183 40.25506 -3.731829      9.902925  -9.334113      10.95549  2.751137       61.95779 
1 1 1 9   26  18 o 78.95917 40.59602 -9.162661      9.911892  0.000000       0.000000  ?              ?        
1 1 1 9   26  19 o 75.28378 38.14064 2.319113       9.257215  -7.592337      8.703312  8.759171       57.87173 
1 1 1 9   26  20 o 68.15722 34.55772 -11.07624      7.530733  1.205859       7.388600  -11.59525      54.03102 
1 1 1 9   26  21 o 81.02078 40.27621 5.374988       7.774088  2.106618       7.983203  3.540436       57.65585 
1 1 1 9   26  22 o 72.14056 36.44317 -7.282796      11.86285  2.646562       6.261088  -3.859520      53.39887 
1 1 1 9   27  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   27  7  o 107.8309 53.65298 -8.144031      13.43340  21.35855       14.89349  -24.39575      79.13984 
1 1 1 9   27  8  o 90.44385 45.74343 -11.03056      11.02182  2.574609       14.99342  -14.50937      71.15157 
1 1 1 9   27  9  o 106.9952 52.10388 5.048509       9.244090  5.972659       14.93312  -0.5410309     75.76649 
1 1 1 9   27  10 o 94.85378 47.21766 -0.8221955     9.122401  2.087418       14.77454  -6.427788      71.12396 
1 1 1 9   27  11 o 86.49485 43.61082 -4.714388      9.106608  -3.525589      14.51320  -7.143082      67.16120 
1 1 1 9   27  12 o 107.9913 52.71148 6.496896       9.309300  17.66730       17.11144  -3.413193      74.25703 
1 1 1 9   27  13 o 80.24557 40.59046 -3.358745      9.294684  -8.179151      10.65985  2.006195       62.64595 
1 1 1 9   27  14 o 85.63797 43.31868 -5.319459      15.13160  -0.6241856     9.393396  0.8807068      64.71745 
1 1 1 9   27  15 o 91.25960 44.90028 -0.9799320     8.381558  9.456531       9.574088  -12.60925      65.79079 
1 1 1 9   27  16 o 82.65669 41.39854 4.976073       8.569706  -6.158490      9.560491  10.26210       61.82903 
1 1 1 9   27  17 o 89.44003 45.09036 8.442826       15.57259  4.431211       9.698173  1.004715       63.99828 
1 1 1 9   27  18 o 85.17957 43.76175 0.7994356E-01  14.56478  14.36331       17.77550  -4.123894      61.93513 
1 1 1 9   27  19 o 79.67143 41.04690 7.524277       14.41858  -3.520327      16.43703  3.177902       58.54785 
1 1 1 9   27  20 o 71.00764 36.66430 -7.224869      9.402808  0.000000       0.000000  ?              ?        
1 1 1 9   28  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   28  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   28  12 o 76.64033 38.99489 -12.21570      9.401586  -0.8346524E-01 10.98185  -11.27520      60.79240 
1 1 1 9   28  13 o 115.1849 54.10999 7.207483       9.775324  20.51179       9.919287  -17.77555      72.86034 
1 1 1 9   28  14 o 82.91304 41.66201 2.531495       9.293008  -1.691644      9.744673  3.509331       61.48051 
1 1 1 9   28  15 o 82.90727 41.70818 -1.637798      8.391363  8.195773       11.82653  -8.228691      61.20616 
1 1 1 9   28  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 9   28  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  -23 0  o 80.67916 38.68123 -6.244794      6.084894  5.243129       5.154668  -25.02540      60.28582 
1 1 1 10  -23 1  o 79.04353 39.16888 -7.439692      7.454524  2.492499       7.015241  -13.99603      61.31297 
1 1 1 10  -22 0  o 65.58351 32.66013 -5.602671      5.881995  -4.226384      4.821752  3.020111       53.99979 
1 1 1 10  -22 1  o 81.02702 38.70815 3.153354       6.301288  -2.417918      4.887949  19.04314       62.11609 
1 1 1 10  -22 2  o 118.8592 48.25530 4.463490       6.353303  7.220082       5.001711  -14.63620      71.81628 
1 1 1 10  -22 3  o 89.92723 41.77122 5.516716       6.930223  -0.5627814     4.829268  21.55965       66.29745 
1 1 1 10  -22 4  o 82.32568 38.84758 -1.021884      5.669218  0.8310877      4.795316  -2.255150      61.20140 
1 1 1 10  -21 0  o 75.41837 36.35889 0.6896472      5.702784  -3.701215      4.614681  18.07871       60.13189 
1 1 1 10  -21 1  o 99.96883 44.07172 3.971565       6.376922  1.989062       4.669307  10.60584       68.93507 
1 1 1 10  -21 2  o 107.2231 46.21505 7.722289       6.451186  1.287083       4.991399  27.02256       72.46559 
1 1 1 10  -21 3  o 68.27723 33.63369 -6.803692      5.829187  -2.652716      4.524939  -1.104897      56.14982 
1 1 1 10  -21 4  o 104.9110 45.34371 6.255276       6.550167  2.206355       4.704200  17.00717       70.69926 
1 1 1 10  -21 5  o 88.53264 40.60435 2.040362       5.362841  -0.1211470     4.798689  9.990723       64.34497 
1 1 1 10  -21 6  o 85.97977 39.91113 0.6335667      5.413590  0.9422704E-01  4.839377  4.218109       63.37384 
1 1 1 10  -21 7  o 116.4841 50.04053 5.125608       5.717087  5.783327       7.742374  -1.217514      75.51619 
1 1 1 10  -20 0  o 119.0184 47.36112 4.041625       5.630779  5.373129       4.921690  -6.897827      73.32777 
1 1 1 10  -20 1  o 123.8220 47.86674 4.920734       5.587761  5.636889       4.921183  -4.447937      74.32378 
1 1 1 10  -20 2  o 92.77460 41.93332 3.153223       6.159293  -0.3906417E-01 4.516499  18.50101       67.72459 
1 1 1 10  -20 3  o 108.1380 46.85873 0.2474080      7.108292  4.907287       5.021942  -13.43285      72.15947 
1 1 1 10  -20 4  o 79.38556 37.69868 -1.078844      5.738716  -1.841021      4.525229  9.793144       62.10864 
1 1 1 10  -20 5  o 81.49472 38.51621 -4.672072      5.945254  0.6724266      4.574207  -8.534904      62.67711 
1 1 1 10  -20 6  o 92.36066 41.57761 -1.408496      5.491234  2.989510       4.628583  -13.72755      65.69493 
1 1 1 10  -20 7  o 107.2131 45.23170 2.775786       5.485562  3.866152       4.867320  -4.022705      70.24371 
1 1 1 10  -20 8  o 93.05378 41.62578 1.042681       5.314932  1.580429       4.618207  0.5972824      65.87723 
1 1 1 10  -20 9  o 82.78757 39.62821 1.419236       7.160315  -3.212649      4.985839  22.29851       65.96754 
1 1 1 10  -19 0  o 130.7068 53.34312 -0.8689693E-01 7.279828  10.02413       6.461124  -43.22459      82.03158 
1 1 1 10  -19 1  o 115.5175 51.63047 -6.960634      8.487172  9.324986       6.893791  -47.24189      80.40556 
1 1 1 10  -19 2  o 129.6369 54.91989 -3.896240      8.961466  10.88094       6.774808  -48.80173      83.27602 
1 1 1 10  -19 3  o 100.9404 44.66604 -1.102456      6.567795  2.954915       4.855217  -8.522606      70.95202 
1 1 1 10  -19 4  o 85.02116 40.00867 -6.531941      5.992505  2.145610       4.991417  -22.10941      65.50591 
1 1 1 10  -19 5  o 101.8386 44.10772 4.513159       6.021041  0.6605625      4.550982  23.04252       71.27596 
1 1 1 10  -19 6  o 98.65524 43.57729 -5.769243      5.934436  6.298088       4.733102  -44.69520      68.51328 
1 1 1 10  -19 7  o 96.60041 42.77065 0.5909361E-02  5.420757  2.306677       4.779548  -6.961327      68.14622 
1 1 1 10  -19 8  o 85.47427 39.42188 -0.5567732     5.127684  -0.1048670     4.631872  1.288933       63.94242 
1 1 1 10  -19 9  o 85.12133 39.95613 -5.751946      6.867427  1.213086       4.533994  -7.820908      64.65451 
1 1 1 10  -19 10 o 92.81525 46.05570 -6.097070      7.154563  0.000000       0.000000  ?              ?        
1 1 1 10  -19 11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  -18 0  o 108.8731 48.00644 4.063253       6.468153  -0.2149542     6.190017  18.30073       76.67958 
1 1 1 10  -18 1  o 86.86707 41.65928 -5.648768      6.323681  -0.7914920     6.608624  -15.49817      69.62744 
1 1 1 10  -18 2  o 103.6085 47.11564 1.039866       6.604840  -0.2042450     6.642337  4.210358       75.84099 
1 1 1 10  -18 3  o 103.1645 44.65426 2.009841       5.613839  1.106600       4.958665  7.981506       72.08144 
1 1 1 10  -18 4  o 84.59783 39.89156 -2.469627      6.074936  -1.968445      4.973316  6.617210       66.72623 
1 1 1 10  -18 5  f 94.94273 45.99244 -23.66694      12.29419  1.329451       6.745449  -16.63857      75.37422 
1 1 1 10  -18 6  o 109.5564 50.32187 5.656502       11.34622  -0.6309661     6.319081  30.59784       83.74942 
1 1 1 10  -18 7  o 115.1355 52.05214 -6.496987      11.35957  5.137477       6.460574  -15.38218      81.20711 
1 1 1 10  -18 8  o 99.69159 46.33636 7.947140       7.592777  -5.723277      6.386780  47.91223       77.02586 
1 1 1 10  -18 9  o 119.6587 55.08885 0.000000       0.000000  2.792334       6.669302  ?              ?        
1 1 1 10  -18 10 o 112.1591 48.61604 -1.315696      7.765027  5.209040       5.371834  -17.45478      75.53707 
1 1 1 10  -18 11 f 83.81657 38.75180 -4.889826      4.965838  3.007981       4.540312  -28.67140      63.48770 
1 1 1 10  -18 12 o 168.4680 47.46947 11.33941       5.530193  7.469460       4.875408  25.35776       80.96605 
1 1 1 10  -17 0  o 68.95345 33.36750 -2.863607      4.478541  -5.106290      4.274042  10.35864       58.11413 
1 1 1 10  -17 1  o 124.2844 45.54692 2.956195       4.570793  4.828348       4.611295  -13.90253      73.84383 
1 1 1 10  -17 2  o 173.7745 43.35313 6.138319       4.576487  10.29781       4.743383  -38.93517      76.81937 
1 1 1 10  -17 3  o 126.9444 46.69709 3.167544       5.227492  4.984125       4.516100  -10.15894      75.31621 
1 1 1 10  -17 4  o 84.28652 39.26221 -6.454734      5.572255  1.519482       4.582707  -22.27676      65.35214 
1 1 1 10  -17 5  o 164.3762 57.72832 9.014480       7.427416  8.516646       7.157406  2.425552       92.22233 
1 1 1 10  -17 6  o 102.5973 46.46031 3.805687       6.532501  -3.405525      6.197555  29.92278       76.26717 
1 1 1 10  -17 7  o 103.9102 46.94002 1.042162       6.654975  -0.3750261     6.251192  7.588997       76.19073 
1 1 1 10  -17 8  o 183.6071 55.90989 5.858404       6.673194  16.98415       7.239982  -69.91914      91.12682 
1 1 1 10  -17 9  f 102.2091 46.07426 6.676858       7.199840  -2.790963      5.484826  44.87784       76.99810 
1 1 1 10  -17 10 o 98.97823 43.90067 -1.787916      5.200348  4.290138       5.545539  -28.73459      71.11497 
1 1 1 10  -17 11 o 113.0605 47.73706 0.8370168      5.121296  6.480638       6.663360  -31.44473      77.26379 
1 1 1 10  -17 12 o 104.1995 48.57996 2.446468       7.888977  -1.592900      7.504854  12.28880       77.22088 
1 1 1 10  -17 13 o 128.7058 55.40034 -2.289209      7.908814  13.55866       8.098671  -55.95226      86.06213 
1 1 1 10  -17 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  -16 0  o 130.1907 44.59671 1.096202       4.239679  7.582736       4.442221  -55.00764      71.90451 
1 1 1 10  -16 1  o 94.92896 41.03965 -4.402916      4.278867  5.941924       4.595366  -65.79085      67.85836 
1 1 1 10  -16 2  o 102.6391 42.30963 -2.868029      4.253167  6.232214       4.463119  -62.41268      68.48522 
1 1 1 10  -16 3  o 225.0838 35.35771 13.53310       4.848144  11.33682       4.703580  21.06888       72.88597 
1 1 1 10  -16 4  o 102.7993 42.96989 0.3508709      4.639974  2.281753       4.522977  -10.78850      70.20118 
1 1 1 10  -16 5  o 99.38059 42.90433 4.000972       5.403633  -1.482126      4.402586  38.50596       71.80238 
1 1 1 10  -16 6  o 108.6514 44.73830 0.6252726      5.335739  3.039031       4.494666  -8.516563      72.38588 
1 1 1 10  -16 7  f 115.9745 46.46449 -2.250932      5.598900  6.551069       4.680655  -46.20125      73.10992 
1 1 1 10  -16 8  o 126.8660 47.34674 11.94254       5.665124  -0.8640181     4.526300  93.62444       75.66872 
1 1 1 10  -16 9  o 68.50338 33.42211 -3.699749      5.654605  -5.312708      4.021180  21.82754       59.87453 
1 1 1 10  -16 10 o 74.80029 35.49019 -5.323096      4.821384  -0.5071132     4.128171  -11.55328      60.07216 
1 1 1 10  -16 11 f 176.1037 46.79618 2.160664       5.474737  14.78667       4.960630  -102.9889      73.86894 
1 1 1 10  -16 12 o 128.5781 51.51473 5.432546       6.562001  4.218624       5.965728  7.088219       81.24860 
1 1 1 10  -16 13 o 133.2532 52.39251 5.894595       6.999549  5.343607       5.841695  3.529251       82.34121 
1 1 1 10  -16 14 o 107.8897 47.26060 3.411226       6.834948  1.291033       5.467166  13.57751       75.58291 
1 1 1 10  -16 15 o 106.0566 47.62902 -4.060909      7.123606  5.779018       6.054103  -30.52639      75.19174 
1 1 1 10  -15 0  o 290.4862 28.75401 22.85970       5.057815  16.00259       5.170880  57.66402       61.82219 
1 1 1 10  -15 1  o 132.2458 45.14428 5.077344       4.335581  3.070867       4.560426  15.53098       74.37682 
1 1 1 10  -15 2  o 378.1954 35.36921 0.000000       0.000000  33.77272       5.799304  ?              ?        
1 1 1 10  -15 3  o 301.8718 27.85016 21.29612       5.050795  20.73325       5.268888  5.885956       58.33202 
1 1 1 10  -15 4  o 90.25289 39.69199 -3.828899      4.243375  3.545424       4.353117  -44.34487      66.35268 
1 1 1 10  -15 5  o 347.4508 25.23166 30.37327       5.426896  25.07867       5.375764  35.76337       52.47866 
1 1 1 10  -15 6  o 110.8521 44.64061 10.94513       5.381346  -3.467232      4.244735  108.4414       71.67480 
1 1 1 10  -15 7  o 146.3530 47.22023 5.433679       5.302633  5.685431       4.542348  -0.2395325     78.71467 
1 1 1 10  -15 8  f 108.4383 43.95765 4.166728       5.616306  0.9990690      3.994982  30.80597       73.46821 
1 1 1 10  -15 9  o 126.3777 45.99480 1.403357       5.447883  5.594801       4.151394  -23.59449      73.78372 
1 1 1 10  -15 10 o 140.5005 46.87925 2.716872       5.414147  7.031661       4.344109  -30.27665      75.88889 
1 1 1 10  -15 11 o 111.4452 43.89289 -1.369216      4.643266  6.225720       4.293886  -48.46209      69.51148 
1 1 1 10  -15 12 o 141.5634 45.31479 6.089184       4.864179  5.337545       4.205431  6.140320       75.33514 
1 1 1 10  -15 13 o 68.07569 33.49136 -2.847074      5.901099  -7.074131      4.360125  26.16708       60.27762 
1 1 1 10  -15 14 o 156.5129 46.52539 7.476914       5.227853  7.006889       4.540093  1.762497       78.62178 
1 1 1 10  -15 15 o 88.14081 39.76238 1.873415       4.881206  -1.479654      4.371684  19.19892       65.40389 
1 1 1 10  -15 16 o 107.7139 45.50052 3.644916       5.570335  1.692582       4.929962  12.21001       72.54254 
1 1 1 10  -14 0  o 405.2325 22.72111 41.76394       5.631373  31.77517       5.747658  57.94119       46.92106 
1 1 1 10  -14 1  o 210.6491 37.20343 7.985285       4.433413  13.72939       4.981711  -56.59682      72.65870 
1 1 1 10  -14 2  o 326.1690 25.76229 22.70149       5.091877  25.59202       5.252195  -20.14914      53.02584 
1 1 1 10  -14 3  o 137.0145 45.40276 6.459264       4.458134  2.242343       4.535632  35.79260       74.58459 
1 1 1 10  -14 4  o 228.0690 34.86081 12.06540       4.705670  12.45230       4.848765  -3.149963      71.39201 
1 1 1 10  -14 5  o 263.6620 30.34801 17.87500       4.873284  14.31205       4.872997  32.37186       64.00460 
1 1 1 10  -14 6  o 366.0107 24.41402 33.54950       5.485841  27.20996       5.537249  40.97360       50.53268 
1 1 1 10  -14 7  o 279.8610 29.96349 17.55348       5.206760  18.87797       5.039152  -12.60446      63.34848 
1 1 1 10  -14 8  o 188.4347 40.73079 10.42958       5.154594  7.825687       4.226366  23.09766       76.88396 
1 1 1 10  -14 9  o 300.1299 28.99002 20.29243       6.106043  21.58844       4.790524  -21.53574      64.42298 
1 1 1 10  -14 10 o 228.3178 37.36123 7.406572       5.874595  16.40869       4.580731  -91.44284      74.43552 
1 1 1 10  -14 11 o 163.5785 54.92709 5.421159       6.262317  10.60093       6.944149  -33.86234      89.82314 
1 1 1 10  -14 12 o 128.8280 45.77797 5.714703       5.091518  3.272575       4.218692  21.49738       75.23685 
1 1 1 10  -14 13 o 80.16081 37.03550 -3.421275      4.645019  0.1694497      4.050254  -10.22369      61.97010 
1 1 1 10  -14 14 o 102.9162 42.69797 2.126780       4.517786  1.740363       4.431085  2.846245       68.88737 
1 1 1 10  -14 15 o 117.0679 44.77905 3.849146       4.851056  3.189885       4.277203  6.644821       72.19086 
1 1 1 10  -14 16 o 82.04984 38.17507 -4.916099      4.912670  1.780794       4.530766  -23.97159      63.41870 
1 1 1 10  -14 17 o 95.93597 42.33238 1.438351       5.265936  0.5559243      4.644711  7.790367       68.46826 
1 1 1 10  -13 0  o 240.1439 31.53449 12.87939       4.340187  13.71177       4.874548  -5.792740      65.59248 
1 1 1 10  -13 1  o 155.3829 42.68764 6.716295       4.024365  4.606609       4.495531  19.24663       73.76391 
1 1 1 10  -13 2  o 81.93656 37.11564 -2.093426      3.761900  -0.4356276     4.446666  -18.32249      63.89725 
1 1 1 10  -13 3  o 365.9018 24.01263 33.92880       5.391304  26.00543       5.449529  50.77737       49.55180 
1 1 1 10  -13 4  o 517.2579 20.86135 59.17013       6.600918  60.05404       6.761916  -3.542633      42.15725 
1 1 1 10  -13 5  o 322.7418 25.22606 27.13424       5.012578  19.84190       5.007919  53.21799       52.62519 
1 1 1 10  -13 6  o 309.3621 26.09043 20.66440       4.794832  22.84836       5.144004  -15.11505      53.76865 
1 1 1 10  -13 7  o 367.6039 23.22426 30.50995       5.174192  30.34052       5.368819  1.824890       47.42876 
1 1 1 10  -13 8  o 336.1587 25.53205 21.98256       5.420217  29.03949       5.158087  -51.12350      53.90521 
1 1 1 10  -13 9  o 146.5740 44.85080 2.263944       4.859337  7.564178       4.142829  -43.75671      73.62849 
1 1 1 10  -13 10 o 89.44400 40.04869 -9.292620      5.788308  3.124434       3.901267  -36.63683      65.58572 
1 1 1 10  -13 11 o 129.5799 54.09781 2.790641       5.124172  0.000000       0.000000  ?              ?        
1 1 1 10  -13 12 o 253.0128 35.41300 12.97925       7.057524  16.92828       4.547459  -57.83936      79.51280 
1 1 1 10  -13 13 o 285.8707 29.55021 16.75039       5.396041  21.74584       4.960827  -47.35699      64.96936 
1 1 1 10  -13 14 o 124.9109 44.78757 2.330903       4.667817  5.336635       4.186022  -20.95425      72.35880 
1 1 1 10  -13 15 o 171.1518 42.79818 4.853915       4.658092  10.87985       4.414793  -57.73575      73.97554 
1 1 1 10  -13 16 o 154.3367 44.59972 9.291321       4.824486  4.732055       4.248751  39.30095       75.78803 
1 1 1 10  -13 17 o 106.8027 44.07766 1.114316       4.994255  3.490944       4.509362  -11.14245      70.41611 
1 1 1 10  -13 18 o 93.11210 41.26517 0.5479296      5.127836  0.6824852      4.412895  4.073387       67.04775 
1 1 1 10  -12 0  o 140.3623 49.60744 0.000000       0.000000  4.287066       3.810297  ?              ?        
1 1 1 10  -12 1  o 321.5571 22.98004 21.02384       4.388065  25.68357       4.739358  -32.58276      46.88771 
1 1 1 10  -12 2  o 373.4834 21.24259 31.21398       4.746743  31.00821       5.071739  2.150085       43.17920 
1 1 1 10  -12 3  o 412.1981 20.97083 38.83510       5.192118  36.72048       5.511171  12.64682       42.61209 
1 1 1 10  -12 4  o 231.8919 32.35147 14.87081       4.400829  9.516744       4.665056  54.42838       67.08311 
1 1 1 10  -12 5  o 109.6680 42.57048 1.281176       4.028851  2.575705       4.269278  -12.48367      70.29676 
1 1 1 10  -12 6  o 462.6922 20.91985 46.23021       5.827807  49.18818       6.163987  -13.97586      42.27922 
1 1 1 10  -12 7  x ?        ?        -10.91269      4.086519  -16.11690      4.481405  4.359005       45.84217 
1 1 1 10  -12 8  o 195.3055 35.87726 8.265234       4.224292  9.687849       4.149659  -15.68320      70.03721 
1 1 1 10  -12 9  o 467.6273 20.78288 58.89497       6.418890  41.07610       5.676529  85.19888       42.18610 
1 1 1 10  -12 10 o 212.2000 47.71377 0.000000       0.000000  11.28745       4.332967  ?              ?        
1 1 1 10  -12 11 o 182.2355 49.90708 11.37062       5.722633  5.629737       5.894160  47.55859       85.17593 
1 1 1 10  -12 12 o 201.9912 37.79755 3.576636       5.084303  14.33562       4.173340  -104.4784      68.62767 
1 1 1 10  -12 13 o 218.1062 34.85807 10.65690       5.154468  12.29254       4.129097  -24.84274      72.55315 
1 1 1 10  -12 14 o 94.15968 40.22573 -0.9403100     4.403615  2.013650       3.953065  -13.63686      65.94099 
1 1 1 10  -12 15 o 95.37811 41.64729 2.522963       5.676944  -0.6062422     4.041478  29.56416       70.44836 
1 1 1 10  -12 16 o 159.9997 44.05687 7.417041       4.631274  6.742503       4.399581  5.608582       76.40538 
1 1 1 10  -12 17 o 80.01694 37.17165 -4.094923      4.641770  0.6261051      4.260684  -16.79124      62.25021 
1 1 1 10  -12 18 o 101.8971 42.87476 1.131733       4.827000  2.433483       4.413837  -4.892059      68.93343 
1 1 1 10  -12 19 o 177.8805 46.09127 6.602238       5.379732  11.55936       4.906329  -45.12434      79.55474 
1 1 1 10  -11 0  o 365.2356 20.01218 27.95146       4.393898  31.63903       4.650407  -22.68314      40.50397 
1 1 1 10  -11 1  o 350.9589 20.79657 29.44229       4.466868  25.37739       4.548770  27.08017       42.36801 
1 1 1 10  -11 2  o 405.2751 19.34915 35.49937       4.683888  37.64655       5.035890  -11.42056      39.11918 
1 1 1 10  -11 3  o 340.9791 21.45538 27.88158       4.359076  23.69436       4.689307  29.51987       44.17400 
1 1 1 10  -11 4  o 192.9492 33.51881 8.704659       3.652088  8.583506       4.123441  2.442551       66.52410 
1 1 1 10  -11 5  o 231.7486 28.74372 12.61416       3.873117  11.76550       4.238852  10.14594       59.96443 
1 1 1 10  -11 6  f 340.3082 22.73651 28.52954       4.701188  23.02384       4.846420  38.13361       46.76627 
1 1 1 10  -11 7  o 134.2384 42.53606 5.892644       3.857346  2.089871       4.098332  34.58024       70.33228 
1 1 1 10  -11 8  o 247.1880 30.34901 13.32282       4.366764  14.62569       4.772287  -10.84207      62.99319 
1 1 1 10  -11 9  o 406.0136 20.70598 37.98362       5.197997  35.45241       5.197520  14.40759       41.92572 
1 1 1 10  -11 10 o 274.6245 33.45811 14.41301       7.898267  18.42848       4.557174  -48.16147      80.50741 
1 1 1 10  -11 11 o 305.0055 26.80415 21.65855       5.616124  20.83693       4.580430  1.314941       56.65210 
1 1 1 10  -11 12 o 170.8971 43.22996 9.605001       5.394412  5.937895       4.056989  35.51419       77.97994 
1 1 1 10  -11 13 o 249.2929 39.13020 0.000000       0.000000  15.12436       4.138055  ?              ?        
1 1 1 10  -11 14 f 267.9424 28.33867 16.48328       5.039536  17.11013       4.320739  -11.86496      61.16697 
1 1 1 10  -11 15 o 319.0112 35.34900 0.000000       0.000000  24.78864       4.863434  ?              ?        
1 1 1 10  -11 16 o 210.5023 35.37878 10.42608       4.454147  11.63521       4.457901  -12.74243      72.02959 
1 1 1 10  -11 17 o 124.1244 43.62469 7.489136       4.434985  1.272991       3.935357  52.44445       70.60540 
1 1 1 10  -11 18 o 214.5837 38.84387 15.82619       5.231087  8.898039       4.762318  63.10030       76.56256 
1 1 1 10  -11 19 o 120.4786 45.19342 7.307927       5.003781  1.476388       4.229863  42.80418       73.14993 
1 1 1 10  -11 20 o 139.5562 47.68631 5.933305       5.342851  5.804670       4.646734  0.5903931      77.41719 
1 1 1 10  -10 0  o 388.3222 19.25066 34.46086       4.557787  32.37539       4.690522  12.64554       38.93480 
1 1 1 10  -10 1  f 279.6483 23.27375 13.49347       3.814004  22.36853       4.217970  -72.78929      48.40026 
1 1 1 10  -10 2  o 246.8423 25.24604 14.85444       3.835943  12.57014       3.787167  21.69897       52.22568 
1 1 1 10  -10 3  o 564.6868 17.14908 72.07479       5.971445  68.86418       6.029247  13.12726       34.49557 
1 1 1 10  -10 4  o 415.2968 18.57144 42.08247       4.755279  34.29907       4.789344  43.27551       37.69112 
1 1 1 10  -10 5  o 370.2449 19.79197 33.44798       4.485341  27.32978       4.574198  38.44012       40.34150 
1 1 1 10  -10 6  o 345.1258 20.71424 26.44473       4.310293  26.59519       4.526167  -0.4871216     42.01880 
1 1 1 10  -10 7  o 114.9458 39.91639 4.410116       3.403013  0.9787123      3.560454  31.23124       65.26501 
1 1 1 10  -10 8  o 432.5408 19.32303 45.71339       5.220867  37.43860       5.123607  43.87982       39.12093 
1 1 1 10  -10 9  o 83.00542 36.56678 2.459682       3.705246  -3.525083      3.619380  40.47251       61.78653 
1 1 1 10  -10 10 o 393.0843 21.21682 30.36539       5.040483  38.80898       5.276192  -49.06470      43.09334 
1 1 1 10  -10 11 o 135.5521 43.58780 5.210674       4.307390  3.379860       4.025408  18.73833       72.97634 
1 1 1 10  -10 12 o 365.1189 23.38042 31.31095       5.833272  29.04430       4.839949  10.84030       48.27679 
1 1 1 10  -10 13 o 234.1548 33.39887 12.86457       5.312258  12.86683       4.280776  -5.836746      70.36925 
1 1 1 10  -10 14 f 172.0290 43.40778 6.856256       5.711459  7.718182       3.997272  -7.830078      78.38563 
1 1 1 10  -10 15 o 96.24982 39.64584 3.118483       4.263420  -0.1416675     3.490470  30.54940       66.01157 
1 1 1 10  -10 16 o 134.7401 51.60438 4.305861       4.264390  0.000000       0.000000  ?              ?        
1 1 1 10  -10 17 f 130.2412 43.53434 3.292713       4.312777  5.288763       3.972277  -15.98613      71.54834 
1 1 1 10  -10 18 o 288.6311 27.99518 18.69283       5.025780  21.08339       4.876577  -22.02255      60.35270 
1 1 1 10  -10 19 o 130.4119 45.38347 5.228490       4.633557  4.082474       4.374651  9.456314       74.02306 
1 1 1 10  -10 20 o 120.9588 45.25807 5.398736       4.928761  2.840188       4.288514  19.47706       73.11134 
1 1 1 10  -10 21 o 157.6669 46.09916 12.57023       5.470173  4.137743       4.316641  66.09694       77.80617 
1 1 1 10  -9  0  o 352.3784 19.86590 22.99520       4.108220  33.20097       4.579821  -65.58609      40.29472 
1 1 1 10  -9  1  o 364.5082 19.53766 31.04094       4.390574  27.84872       4.412625  20.25000       39.52842 
1 1 1 10  -9  2  o 1052.260 19.72948 243.4506       12.85908  246.0988       12.89738  -5.714355      39.66690 
1 1 1 10  -9  3  o 318.9036 20.42038 26.23824       4.147700  19.34819       3.900454  49.43243       41.57675 
1 1 1 10  -9  4  o 355.8708 19.30273 28.64335       4.184236  27.45017       4.308922  7.958649       39.02735 
1 1 1 10  -9  5  o 710.1324 16.93539 113.7414       7.453882  108.7681       7.466549  16.05945       34.05185 
1 1 1 10  -9  6  o 362.0265 19.29798 27.13526       4.101451  31.45106       4.573248  -26.51978      38.98963 
1 1 1 10  -9  7  o 779.2911 17.50494 137.1440       8.433017  131.1285       8.491426  17.77673       35.21714 
1 1 1 10  -9  8  o 289.8273 21.68319 18.68972       3.806714  18.80295       3.936710  -0.5541992     44.17534 
1 1 1 10  -9  9  o 276.1683 22.95945 18.68526       3.820633  15.30522       3.979649  29.25455       47.56979 
1 1 1 10  -9  10 o 417.5371 19.55255 37.96180       4.890225  39.45626       5.226935  -7.610931      39.49142 
1 1 1 10  -9  11 o 92.98352 39.24269 -2.509011      3.743826  3.627605       4.027444  -47.07899      65.36490 
1 1 1 10  -9  12 o 328.4835 23.60889 26.35744       5.033052  22.38701       4.559179  26.63727       48.14695 
1 1 1 10  -9  13 o 173.3099 40.67091 7.505519       4.920570  7.072996       3.862581  5.045959       74.76827 
1 1 1 10  -9  14 o 168.4617 41.26550 1.668257       4.702026  10.66758       3.950575  -84.26916      68.34425 
1 1 1 10  -9  15 o 321.0475 25.90006 26.01213       6.386552  22.41990       4.387539  14.49680       56.75567 
1 1 1 10  -9  16 o 90.51891 38.80538 0.9034362      4.233742  0.4458587E-01  3.628393  11.90046       64.58436 
1 1 1 10  -9  17 o 75.59655 34.80360 -4.371306      3.729184  1.570713       3.801168  -32.47032      59.54102 
1 1 1 10  -9  18 o 218.4845 32.64822 9.477046       4.323505  13.76311       4.255926  -45.90689      67.81731 
1 1 1 10  -9  19 o 311.6828 36.55696 24.53662       4.902985  0.000000       0.000000  ?              ?        
1 1 1 10  -9  20 o 249.4167 32.34681 17.24157       5.178828  13.94314       4.639324  24.96426       69.81389 
1 1 1 10  -9  21 o 245.6785 34.43024 11.20923       5.349904  18.95167       4.887941  -80.06030      73.58102 
1 1 1 10  -9  22 o 87.48042 40.00259 3.996251       5.584958  -3.274131      4.359638  40.71497       68.10133 
1 1 1 10  -8  0  o 330.9876 19.89499 24.75965       4.005607  23.83584       4.129113  6.700043       40.29779 
1 1 1 10  -8  1  o 326.2658 19.93885 23.94362       3.972252  23.29375       4.061522  4.786041       40.37129 
1 1 1 10  -8  2  o 560.7613 16.52869 68.27168       5.666895  70.61424       5.822797  -9.371643      33.20465 
1 1 1 10  -8  3  o 487.5872 16.69007 49.46224       4.900350  55.89052       5.193724  -29.80817      33.54506 
1 1 1 10  -8  4  f 610.6893 16.25004 83.27168       6.256604  81.31741       6.049465  7.088501       32.63188 
1 1 1 10  -8  5  o 285.6292 21.41513 22.37667       3.922532  14.52332       3.628156  63.15414       44.12256 
1 1 1 10  -8  6  o 244.9876 23.13570 13.82025       3.280802  12.88593       3.706665  10.19655       48.15889 
1 1 1 10  -8  7  o 495.9387 16.58697 56.53992       5.054383  51.96861       5.137950  21.25040       33.39198 
1 1 1 10  -8  8  o 479.0794 16.80172 48.91879       4.799397  52.78405       5.194972  -17.93140      33.80956 
1 1 1 10  -8  9  o 220.0900 26.13131 10.82770       3.381387  11.06454       3.627711  -1.656525      54.10634 
1 1 1 10  -8  10 o 132.6115 38.49464 1.685244       3.277547  6.729356       3.432489  -56.03391      63.65872 
1 1 1 10  -8  11 o 465.1502 18.79910 47.14902       5.264655  48.77819       5.574984  -7.519470      37.90043 
1 1 1 10  -8  12 o 562.5942 20.23558 72.61161       6.074985  65.12238       8.724538  35.89642       44.61385 
1 1 1 10  -8  13 o 165.9301 39.26662 2.018127       4.143388  10.40497       3.831590  -85.26979      65.93707 
1 1 1 10  -8  14 o 250.3279 28.95638 15.26231       5.064680  13.74245       3.962659  9.068878       61.54037 
1 1 1 10  -8  15 o 291.1422 33.70537 0.000000       0.000000  19.74079       4.224913  ?              ?        
1 1 1 10  -8  16 o 88.63772 37.91551 2.025244       3.884897  -1.171064      3.547342  25.64066       63.32726 
1 1 1 10  -8  17 o 238.3172 30.05808 13.13740       4.623791  13.64611       4.111125  -9.355652      64.01968 
1 1 1 10  -8  18 o 70.00384 33.00035 -2.722059      3.756417  -2.024208      3.683648  -2.328682      56.76397 
1 1 1 10  -8  19 o 189.2242 37.63254 11.65783       4.375924  6.777058       4.156090  50.26802       71.53272 
1 1 1 10  -8  20 o 96.18513 40.32956 0.9519051      4.286377  1.581026       3.855169  -0.5356293     65.66104 
1 1 1 10  -8  21 o 173.6766 42.32559 5.365838       4.749684  10.60283       4.316616  -51.74759      74.17930 
1 1 1 10  -8  22 o 243.6263 34.35091 13.22053       5.263591  16.84522       4.855856  -41.27505      74.17165 
1 1 1 10  -7  0  o 359.4046 18.47898 31.65850       4.105119  25.61037       4.106851  38.85962       37.54194 
1 1 1 10  -7  1  o 400.5293 17.52017 37.84472       4.335380  33.17195       4.349599  26.87634       35.39361 
1 1 1 10  -7  2  o 311.4679 19.60858 20.69812       3.670815  22.51887       3.876265  -13.05743      39.71859 
1 1 1 10  -7  3  o 301.5735 20.67824 18.59019       3.788895  21.98694       3.903497  -25.86340      42.05186 
1 1 1 10  -7  4  o 294.2123 20.56085 20.61201       3.725922  17.88578       3.731807  21.54337       41.87157 
1 1 1 10  -7  5  o 947.1873 17.94852 197.8275       10.52614  198.2601       10.56563  -0.9967041     36.06070 
1 1 1 10  -7  6  o 661.0838 15.81840 96.31335       6.421516  96.27833       6.554265  0.2640381      31.78281 
1 1 1 10  -7  7  o 432.7710 16.45786 44.72409       4.460418  38.08987       4.361588  35.03894       33.14351 
1 1 1 10  -7  8  o 485.5617 16.08625 50.85265       4.680709  53.33134       5.013528  -11.30032      32.34608 
1 1 1 10  -7  9  o 132.9207 36.48015 4.073473       2.985412  4.134550       3.225758  -2.046921      63.43049 
1 1 1 10  -7  10 o 254.9447 22.87181 16.32787       3.500545  12.56208       3.662385  35.34149       47.81176 
1 1 1 10  -7  11 o 536.7966 16.67060 59.69448       5.467142  67.90679       5.624923  -34.83215      33.53708 
1 1 1 10  -7  12 o 782.1830 24.39234 136.1442       8.358571  0.000000       0.000000  ?              ?        
1 1 1 10  -7  13 o 529.5984 16.87218 60.60096       5.433169  63.44961       5.644452  -12.02649      33.92052 
1 1 1 10  -7  14 o 329.7144 21.73216 22.76298       4.617341  25.51971       4.246090  -20.48929      44.67033 
1 1 1 10  -7  15 o 558.3438 18.57824 66.65512       6.803143  71.38685       6.104751  -21.17529      37.87205 
1 1 1 10  -7  16 o 274.7405 27.64146 15.29785       5.624819  18.29644       4.048462  -35.13802      63.45144 
1 1 1 10  -7  17 o 213.4271 41.95677 0.000000       0.000000  11.24910       3.787746  ?              ?        
1 1 1 10  -7  18 o 167.7919 39.65915 8.738852       4.368279  5.889700       3.812618  28.87230       72.20436 
1 1 1 10  -7  19 o 164.2764 40.81141 8.349925       4.119494  5.477953       4.161398  29.58884       72.51382 
1 1 1 10  -7  20 f 219.1145 33.92299 13.05780       4.531358  10.74978       4.395693  22.85931       70.41825 
1 1 1 10  -7  21 o 170.3395 38.99969 9.820513       4.395127  6.109164       3.745931  35.36703       71.93329 
1 1 1 10  -7  22 o 76.13949 35.40012 0.8839931      4.422289  -3.139242      3.740880  25.53361       60.51155 
1 1 1 10  -7  23 o 179.9293 40.18436 9.960240       4.736761  8.057252       4.079846  13.59810       75.41862 
1 1 1 10  -6  0  o 121.0753 44.95964 0.000000       0.000000  2.788324       3.180943  ?              ?        
1 1 1 10  -6  1  f 159.5712 34.25947 7.445097       3.257509  4.482076       3.323106  35.74323       63.03414 
1 1 1 10  -6  2  o 218.9899 25.40636 11.65655       3.354956  10.04451       3.420651  17.72795       52.85036 
1 1 1 10  -6  3  o 214.6524 25.63156 9.111139       3.313095  11.83205       3.379000  -29.68604      53.27934 
1 1 1 10  -6  4  o 532.0370 21.69832 61.08345       6.954692  65.17197       7.354339  -16.79425      43.84139 
1 1 1 10  -6  5  o 219.4395 35.61584 8.736772       4.514495  13.96386       4.869791  -51.93503      70.84821 
1 1 1 10  -6  6  o 599.3576 21.82381 82.65551       8.212770  76.95184       7.992547  21.48621       43.99265 
1 1 1 10  -6  7  o 487.7760 22.02858 60.50290       7.295539  47.29611       6.147269  59.85614       44.48762 
1 1 1 10  -6  8  o 370.7810 23.46489 30.25394       5.424033  30.85914       5.316218  -3.990234      47.56419 
1 1 1 10  -6  9  o 146.2639 43.68890 2.050904       3.907078  9.155117       4.748120  -73.08409      72.48393 
1 1 1 10  -6  10 o 576.4886 21.94869 69.00181       7.565685  79.00423       8.134584  -38.93286      44.21396 
1 1 1 10  -6  11 o 863.3138 34.59083 0.000000       0.000000  167.8177       13.07226  ?              ?        
1 1 1 10  -6  12 f 302.2530 39.33574 21.07961       5.091460  0.000000       0.000000  ?              ?        
1 1 1 10  -6  13 o 321.4191 28.79144 25.31512       5.573514  21.03634       5.792367  32.16751       59.91137 
1 1 1 10  -6  14 o 552.6892 23.44278 64.00742       7.921064  72.07278       8.120615  -33.23145      47.37240 
1 1 1 10  -6  15 o 164.8576 43.93904 7.605953       8.312832  6.310456       3.511569  26.88356       85.98982 
1 1 1 10  -6  16 f 194.5967 35.66581 5.256525       4.621271  11.38983       3.793560  -65.14243      68.33907 
1 1 1 10  -6  17 o 141.5619 42.56330 4.774182       4.920029  4.903243       3.508260  4.787048       73.35824 
1 1 1 10  -6  18 o 182.5228 34.21389 7.143596       3.833749  8.781521       3.637015  -19.59448      66.64243 
1 1 1 10  -6  19 o 245.1624 27.70744 18.74433       4.289193  10.06063       4.005320  82.38800       59.58454 
1 1 1 10  -6  20 o 180.5284 37.66337 11.47599       4.048163  4.823236       4.114889  70.47383       68.47974 
1 1 1 10  -6  21 o 196.9958 35.64903 10.46440       4.260818  9.157998       4.134056  13.11673       71.14256 
1 1 1 10  -6  22 o 163.6109 41.93860 9.342339       4.644061  5.773723       3.983211  32.25723       74.50687 
1 1 1 10  -6  23 o 196.9183 38.64516 16.37312       5.356347  6.977757       4.026868  79.61365       74.41224 
1 1 1 10  -6  24 o 99.06071 41.76347 3.350868       4.967317  0.6992214      3.968248  20.80691       68.10388 
1 1 1 10  -5  0  o 279.2362 28.10606 15.04288       4.670320  20.78670       4.946060  -47.53955      58.77889 
1 1 1 10  -5  1  o 455.3694 22.08305 47.59156       6.230337  45.24695       6.208349  11.85526       44.79607 
1 1 1 10  -5  2  o 124.1136 43.88075 5.297599       4.164131  1.206891       4.271059  33.66114       71.59976 
1 1 1 10  -5  3  o 493.8336 21.70757 52.52822       6.500126  56.69724       6.775533  -18.69382      43.96693 
1 1 1 10  -5  4  o 224.7337 32.71275 13.62456       4.343743  9.651063       4.514434  41.48265       67.29166 
1 1 1 10  -5  5  f 337.5230 24.72219 24.69413       4.985890  26.68729       5.309879  -12.65601      50.56206 
1 1 1 10  -5  6  o 269.2523 24.63566 19.67459       3.520782  9.550385       4.992838  98.30731       61.92900 
1 1 1 10  -5  7  o 460.2879 16.00837 49.39502       4.480917  44.03772       4.651566  27.00757       32.34415 
1 1 1 10  -5  8  o 168.2842 30.06922 6.525460       2.913977  6.485664       3.146886  0.7400513      58.90772 
1 1 1 10  -5  9  o 293.4127 22.48826 19.12582       3.528919  19.22786       4.943501  2.517548       48.76162 
1 1 1 10  -5  10 o 283.1330 21.82696 16.97979       3.354856  19.34892       4.500739  -16.78506      45.67500 
1 1 1 10  -5  11 o 510.2616 30.04350 0.000000       0.000000  58.22107       6.694508  ?              ?        
1 1 1 10  -5  12 o 243.1264 25.19846 12.88070       3.250421  14.03445       4.567729  -6.885834      54.52465 
1 1 1 10  -5  13 o 774.6349 18.91191 127.7294       7.723956  143.9290       11.58112  -41.19775      40.46289 
1 1 1 10  -5  14 o 239.5451 29.17949 14.29663       3.637486  10.22996       5.320381  44.71796       66.43842 
1 1 1 10  -5  15 o 436.2419 18.13560 44.88976       4.910917  39.38794       4.883141  28.95657       36.59838 
1 1 1 10  -5  16 o 689.3365 20.50248 109.6376       7.971942  99.46861       9.832492  38.17090       42.82040 
1 1 1 10  -5  17 o 353.8536 39.71139 0.000000       0.000000  29.39199       6.057445  ?              ?        
1 1 1 10  -5  18 o 115.9429 46.74243 -2.809341      5.605187  5.595424       4.828635  -45.03800      75.02995 
1 1 1 10  -5  19 o 167.0876 53.41512 2.332817       6.963928  10.77080       5.722805  -55.58223      85.92957 
1 1 1 10  -5  20 o 123.1302 50.42776 2.750409       5.708060  2.784517       6.672065  -5.545288      81.87737 
1 1 1 10  -5  21 o 129.6053 53.27443 6.973820       6.570261  -0.6562501     7.233713  33.72830       84.87041 
1 1 1 10  -5  22 o 126.9438 55.01315 5.674015       8.553615  1.055339       7.535926  20.64471       87.90496 
1 1 1 10  -5  23 o 233.3120 58.29482 41.80585       9.823247  2.860191       7.474509  226.1082       88.25634 
1 1 1 10  -5  24 o 157.3470 51.87352 0.000000       0.000000  7.820304       4.151917  ?              ?        
1 1 1 10  -4  0  o 312.8120 27.11768 22.94162       5.076168  21.42564       5.355197  12.74677       56.30789 
1 1 1 10  -4  1  o 370.0949 24.38325 29.44678       5.417940  32.45379       5.728338  -17.77689      49.80444 
1 1 1 10  -4  2  o 152.4668 33.26757 6.343845       3.078252  4.693161       3.037622  20.78429       61.51011 
1 1 1 10  -4  3  o 368.0663 23.19454 29.40894       5.253448  31.49742       5.284346  -13.10922      47.29699 
1 1 1 10  -4  4  o 113.2700 41.95861 3.812692       3.901160  1.160872       3.926239  21.97196       68.78246 
1 1 1 10  -4  5  o 464.6483 22.09356 47.02417       6.335507  49.63232       6.364206  -12.90698      44.81003 
1 1 1 10  -4  6  o 273.0336 28.82283 14.44309       4.684136  19.86131       4.942434  -45.94070      60.34628 
1 1 1 10  -4  7  o 189.3379 38.19776 9.749474       4.252213  7.143897       4.415200  27.87611       72.28880 
1 1 1 10  -4  8  o 583.7205 20.88744 82.37331       7.766843  69.70238       7.352246  49.03845       42.14094 
1 1 1 10  -4  9  o 253.2892 28.98585 12.69016       4.265648  16.70513       4.712330  -35.80055      59.96255 
1 1 1 10  -4  10 o 596.3405 20.88406 79.03383       7.664249  78.35213       7.763825  2.765076       42.03394 
1 1 1 10  -4  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  -4  12 o 722.4681 30.25765 116.5468       9.567373  0.000000       0.000000  ?              ?        
1 1 1 10  -4  13 o 135.0980 36.93949 5.413018       3.794883  3.618129       2.796763  25.64194       65.29973 
1 1 1 10  -4  14 o 566.6981 29.08199 72.02216       7.204805  0.000000       0.000000  ?              ?        
1 1 1 10  -4  15 o 228.5559 28.81209 13.01490       4.696341  11.17120       3.535206  14.82532       60.79219 
1 1 1 10  -4  16 o 266.8218 32.39063 18.33279       5.167321  13.97163       5.339865  39.38843       67.87843 
1 1 1 10  -4  17 o 208.8969 37.03843 9.071341       4.428822  11.65329       4.847113  -25.56921      72.90802 
1 1 1 10  -4  18 o 226.2423 33.64615 13.30070       4.571774  10.62031       4.585217  27.35321       69.00006 
1 1 1 10  -4  19 o 245.1696 29.76135 14.05998       4.462491  13.89219       4.405330  1.260208       62.46960 
1 1 1 10  -4  20 o 165.1453 40.09687 8.541315       4.140292  5.362682       3.995484  33.16336       71.72871 
1 1 1 10  -4  21 o 120.3472 42.76951 2.404619       4.112584  4.403215       3.915042  -15.55772      69.85049 
1 1 1 10  -4  22 o 200.5771 38.26569 13.03152       4.766804  7.939313       4.426883  49.54340       74.17702 
1 1 1 10  -4  23 f 217.6492 34.65537 16.64511       4.795630  8.316174       4.290700  79.48651       70.13614 
1 1 1 10  -4  24 o 90.58066 39.25324 3.535486       4.548897  -1.040924      3.717612  32.81219       65.16336 
1 1 1 10  -4  25 o 104.0546 42.33254 5.197317       4.658719  0.3487848      3.993169  33.87694       68.58849 
1 1 1 10  -3  0  o 385.6373 17.02007 32.04550       3.942646  34.18373       4.191775  -12.12943      34.37733 
1 1 1 10  -3  1  o 294.6779 26.36185 22.64631       4.859015  16.95630       4.681844  44.88965       54.93612 
1 1 1 10  -3  2  o 114.8447 41.36668 3.529262       3.888006  1.975706       3.652262  15.79615       68.27279 
1 1 1 10  -3  3  o 206.4383 34.37944 9.172992       4.362920  10.69920       4.141336  -17.17079      68.87808 
1 1 1 10  -3  4  f 261.9055 26.69976 16.75227       4.395895  14.52965       4.167607  19.08163       55.41321 
1 1 1 10  -3  5  o 270.3430 19.62923 13.79830       3.192631  19.14085       3.351956  -45.51074      40.36177 
1 1 1 10  -3  6  o 199.2510 23.79156 9.996064       2.858213  7.988397       2.907592  24.08867       49.60380 
1 1 1 10  -3  7  o 433.7821 15.01412 40.81621       3.988044  42.53753       4.081520  -8.919373      30.21968 
1 1 1 10  -3  8  o 100.6594 35.53991 3.966360       2.756324  0.1567984      2.774164  39.96966       57.48413 
1 1 1 10  -3  9  o 279.8037 18.08330 16.89613       3.028440  17.96083       3.224527  -8.331085      36.65586 
1 1 1 10  -3  10 o 124.1056 33.88575 4.475709       2.747892  2.753098       2.619686  22.69301       58.59018 
1 1 1 10  -3  11 o 457.2686 14.33064 50.17651       4.205925  42.48679       3.928122  38.13843       28.76827 
1 1 1 10  -3  12 o 408.7799 14.71490 36.46854       3.727853  37.18661       3.722626  -4.031158      29.55507 
1 1 1 10  -3  13 o 353.0567 15.67481 27.56321       3.321377  27.45743       3.537550  0.9798584      31.60556 
1 1 1 10  -3  14 o 206.0637 22.67004 11.30292       2.814452  7.655787       2.886926  42.15712       47.78003 
1 1 1 10  -3  15 o 408.6837 14.94153 39.02229       3.830348  34.83099       3.734520  23.37796       30.05264 
1 1 1 10  -3  16 o 97.96394 35.39827 2.596385       2.891466  1.188839       2.643763  17.64811       58.63067 
1 1 1 10  -3  17 o 345.1159 19.10137 27.05435       4.324538  25.97145       3.861344  6.222321       38.79726 
1 1 1 10  -3  18 o 268.9068 28.89806 0.000000       0.000000  16.48993       3.355141  ?              ?        
1 1 1 10  -3  19 o 279.9267 19.90753 15.38659       3.569484  19.47359       3.313345  -35.35269      41.59518 
1 1 1 10  -3  20 o 136.5116 35.36956 4.993589       3.100675  4.141972       2.943688  10.60365       62.47629 
1 1 1 10  -3  21 o 141.7089 36.25153 6.538072       3.280946  3.681597       3.123312  33.32487       63.61041 
1 1 1 10  -3  22 o 272.7015 22.46469 21.70170       3.893707  13.10940       3.651013  73.19623       48.05268 
1 1 1 10  -3  23 o 207.6850 29.15127 10.40896       3.752558  10.52223       3.559750  -3.391083      61.57241 
1 1 1 10  -3  24 o 283.4983 22.26762 23.13322       4.209834  15.52877       3.624660  57.75462       46.78133 
1 1 1 10  -3  25 o 111.6005 39.63506 6.301209       3.597752  0.7460222      3.307368  49.95440       63.57635 
1 1 1 10  -3  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  -2  0  o 127.0158 41.90649 4.067115       3.827470  3.293427       3.836201  7.265533       69.83128 
1 1 1 10  -2  1  o 196.7617 33.52806 7.819649       3.922280  10.30725       3.969535  -27.61472      66.49009 
1 1 1 10  -2  2  o 656.2550 21.01582 94.28356       8.494169  97.73981       8.595263  -11.87549      42.43944 
1 1 1 10  -2  3  o 79.34112 33.11184 1.448361       2.703089  -0.7026729     2.723828  17.98322       55.00239 
1 1 1 10  -2  4  o 820.7289 15.67490 150.3750       8.026748  147.5657       7.934701  7.679993       31.52165 
1 1 1 10  -2  5  o 256.4545 18.96413 15.80212       3.019144  13.58754       2.972491  19.97295       38.70347 
1 1 1 10  -2  6  o 157.8514 29.18907 6.247802       2.760081  5.340202       2.745775  12.17621       56.67586 
1 1 1 10  -2  7  o 210.2799 21.32800 10.59367       2.737192  9.309995       2.750065  14.49518       44.14890 
1 1 1 10  -2  8  o 379.2762 15.15622 30.61570       3.506726  33.18768       3.612985  -15.35513      30.53347 
1 1 1 10  -2  9  o 425.7086 14.39729 41.25397       3.830397  38.92860       3.763499  12.40854       28.95935 
1 1 1 10  -2  10 o 238.1491 19.38877 13.21611       2.816461  12.05632       2.863150  11.51900       39.64573 
1 1 1 10  -2  11 o 347.9703 15.41217 27.71199       3.356841  25.80730       3.281467  12.46051       31.01671 
1 1 1 10  -2  12 o 137.5056 40.76250 4.335446       2.634189  0.000000       0.000000  ?              ?        
1 1 1 10  -2  13 o 796.3553 15.08366 139.8842       7.506100  139.3675       7.397614  1.385986       30.26659 
1 1 1 10  -2  14 o 287.2246 16.86947 16.71274       2.888363  20.03798       3.108608  -26.26370      34.06695 
1 1 1 10  -2  15 o 143.3170 30.41190 4.726630       2.554445  4.811627       2.690654  -1.348389      56.83027 
1 1 1 10  -2  16 o 93.99448 34.98829 3.935759       2.756770  -0.7165796     2.699196  47.97582       56.22288 
1 1 1 10  -2  17 o 311.3500 16.98683 21.94668       3.366714  21.03102       3.178142  6.426971       34.30503 
1 1 1 10  -2  18 o 210.0448 24.28627 10.62294       3.663358  9.603993       2.744341  7.658936       51.76972 
1 1 1 10  -2  19 o 633.0106 16.67638 87.63668       7.844623  89.57362       5.728546  -12.03430      35.48117 
1 1 1 10  -2  20 o 238.4178 20.90672 13.09195       3.255322  12.64354       2.897353  2.646591       43.31886 
1 1 1 10  -2  21 o 156.5667 31.77220 4.117968       2.934894  7.836245       3.027632  -46.86469      59.19713 
1 1 1 10  -2  22 o 92.52378 36.51299 2.245627       3.186140  0.7755051      3.003235  14.29883       59.86769 
1 1 1 10  -2  23 o 186.0186 32.53560 6.765725       3.693980  10.20283       3.545911  -41.00337      64.60985 
1 1 1 10  -2  24 o 166.7362 47.06356 8.045265       3.591622  0.000000       0.000000  ?              ?        
1 1 1 10  -2  25 o 215.9646 28.13817 11.50431       3.924824  11.40147       3.476006  -4.975845      60.81639 
1 1 1 10  -2  26 o 120.3075 39.90178 5.890540       3.851681  2.774760       3.187174  29.19847       66.06238 
1 1 1 10  -1  0  o 105.6260 41.72066 1.274977       3.940324  2.076135       4.144094  -8.167343      68.82320 
1 1 1 10  -1  1  o 492.3236 20.45438 49.16244       5.987663  59.73840       6.511494  -48.06696      41.34590 
1 1 1 10  -1  2  o 328.0677 16.57374 22.13602       3.277718  25.79252       3.453025  -25.27072      33.46844 
1 1 1 10  -1  3  o 711.8295 14.65267 112.6529       6.493996  111.0451       6.446411  5.100281       29.44464 
1 1 1 10  -1  4  o 663.0376 14.37844 95.53698       5.863090  98.52635       5.965834  -10.17151      28.89384 
1 1 1 10  -1  5  o 402.4804 14.49209 36.32941       3.614974  35.26859       3.609612  6.039215       29.14891 
1 1 1 10  -1  6  o 467.3270 13.83889 47.18636       3.971820  49.31980       4.043899  -10.34308      27.80798 
1 1 1 10  -1  7  o 65.94016 29.52215 -2.681411      2.481175  1.310708       2.489839  -30.38136      50.25080 
1 1 1 10  -1  8  o 131.2751 32.10479 3.883839       2.655854  4.238597       2.533151  -4.386108      57.58989 
1 1 1 10  -1  9  o 95.34018 33.21889 3.901110       2.396825  -0.1694655     2.424500  46.02187       53.08793 
1 1 1 10  -1  10 o 229.1277 19.27153 11.10433       2.701779  12.37754       2.725885  -12.92778      39.45563 
1 1 1 10  -1  11 o 566.3644 13.34574 69.92387       4.646698  71.44157       4.731921  -6.027710      26.80602 
1 1 1 10  -1  12 o 73.16636 30.80258 0.6857220E-01  2.390197  0.2694034      2.369348  -1.453796      51.53947 
1 1 1 10  -1  13 o 572.4810 15.70535 73.28504       4.869812  70.22692       6.704044  14.21198       33.42760 
1 1 1 10  -1  14 o 401.5474 13.87876 33.57131       3.451970  37.47587       3.451704  -22.28305      27.90966 
1 1 1 10  -1  15 o 283.3568 16.57748 19.43418       2.941373  16.19136       2.862497  26.25806       33.55505 
1 1 1 10  -1  16 o 471.4593 13.52931 47.07615       3.926858  50.98212       3.978929  -18.90302      27.16919 
1 1 1 10  -1  17 o 344.4227 15.69528 27.80433       3.431403  24.77505       3.263927  19.93005       31.60154 
1 1 1 10  -1  18 o 285.5533 18.93856 16.67710       3.481556  19.35386       3.206797  -22.49283      38.95470 
1 1 1 10  -1  19 o 277.3984 19.27750 17.82125       3.712113  16.74903       2.995185  6.744812       39.94446 
1 1 1 10  -1  20 o 339.5919 16.25101 22.04855       3.438967  29.15672       3.388464  -48.63934      33.29567 
1 1 1 10  -1  21 o 158.1294 28.81367 6.941848       2.763041  4.932605       2.683234  26.77974       56.13207 
1 1 1 10  -1  22 o 128.5252 34.97261 2.712167       2.856004  5.548788       2.867988  -34.10149      59.89972 
1 1 1 10  -1  23 o 122.7523 36.97778 3.865011       3.252253  3.758246       2.876034  2.324738       62.79161 
1 1 1 10  -1  24 o 225.8768 24.11138 12.05368       3.518369  12.01013       3.162451  -3.399994      51.59726 
1 1 1 10  -1  25 o 99.19279 37.14634 3.674468       3.362709  1.263297       2.864183  24.57744       60.81411 
1 1 1 10  -1  26 o 83.11986 35.33395 4.843962       3.418820  -2.215074      2.988434  54.83948       58.19011 
1 1 1 10  -1  27 o 110.3776 53.79554 0.000000       0.000000  -2.346011      8.427104  ?              ?        
1 1 1 10  0   0  o 275.9068 26.66045 17.27901       4.524374  17.24038       4.488204  0.1729431      55.19390 
1 1 1 10  0   1  o 287.1335 25.80882 16.81643       4.578249  20.36575       4.518224  -29.47125      53.62488 
1 1 1 10  0   2  o 306.0199 16.69465 20.09972       3.131759  21.45724       3.183171  -10.12091      33.72649 
1 1 1 10  0   3  o 309.0969 16.67054 22.30561       3.232853  20.10846       3.138385  16.18967       33.66834 
1 1 1 10  0   4  o 606.6343 13.94998 80.58751       5.230398  81.68422       5.268785  -4.087585      28.02609 
1 1 1 10  0   5  f 271.1198 17.28509 14.40289       2.855919  18.32888       2.929251  -33.35925      35.19421 
1 1 1 10  0   6  o 364.3770 14.46028 29.05388       3.269031  29.62049       3.254967  -3.594421      29.09527 
1 1 1 10  0   7  o 255.4863 17.69161 13.76245       2.761768  15.31043       2.811931  -13.92624      35.93978 
1 1 1 10  0   8  o 82.48417 32.34737 0.7397032      2.441137  1.182013       2.384648  -3.629471      53.46936 
1 1 1 10  0   9  o 327.6685 15.36452 23.77395       3.151983  23.82574       3.077917  -0.5343933     31.00118 
1 1 1 10  0   10 o 386.6760 14.11738 32.61470       3.365209  33.53225       3.396114  -5.387329      28.40643 
1 1 1 10  0   11 o 744.7662 14.21782 126.6796       6.719760  118.5118       6.427096  24.65100       28.56430 
1 1 1 10  0   12 o 292.1884 15.42147 16.70826       2.742679  21.18869       2.829871  -35.15945      31.23194 
1 1 1 10  0   13 o 105.3215 38.10195 2.105347       2.261403  0.000000       0.000000  ?              ?        
1 1 1 10  0   14 o 575.1960 13.13612 70.72726       4.652328  74.88214       4.722555  -16.45673      26.36216 
1 1 1 10  0   15 o 446.7710 13.03488 43.08355       3.650413  44.78539       3.568273  -8.802429      26.17571 
1 1 1 10  0   16 o 135.9322 28.48985 2.905227       2.261015  5.814753       2.395496  -42.04697      52.21809 
1 1 1 10  0   17 o 637.4573 13.54560 89.60624       5.407550  89.42775       5.306500  0.5224609      27.19968 
1 1 1 10  0   18 o 539.9562 13.53306 63.24697       4.571539  65.22484       4.488156  -8.481079      27.17054 
1 1 1 10  0   19 o 108.2585 35.68143 2.605142       3.423935  2.567776       2.398570  9.811302       60.77121 
1 1 1 10  0   20 o 135.5359 32.95525 4.629204       3.331330  4.228758       2.386367  7.450867       60.41836 
1 1 1 10  0   21 o 311.4578 15.84673 17.46895       3.044783  25.80666       3.058432  -62.14142      32.76477 
1 1 1 10  0   22 o 143.3392 41.31430 5.217894       2.739394  0.000000       0.000000  ?              ?        
1 1 1 10  0   23 f 120.3936 35.95515 2.205004       2.989918  4.866422       2.799444  -29.40388      60.07056 
1 1 1 10  0   24 o 235.3883 22.05589 15.29149       3.338844  10.85455       3.047137  42.35916       46.54303 
1 1 1 10  0   25 o 128.2769 36.71681 5.036010       3.319283  3.903611       2.869577  12.30500       63.21951 
1 1 1 10  0   26 o 68.13381 30.71544 0.7391046      2.915443  -1.317913      2.597350  17.25247       51.61896 
1 1 1 10  0   27 o 87.61073 34.50051 2.385668       2.944937  1.058141       2.596114  14.00016       56.10749 
1 1 1 10  1   0  o 156.0688 42.00881 4.217850       4.041534  7.713695       4.281394  -36.25201      72.67138 
1 1 1 10  1   1  o 408.3849 21.72894 42.57378       5.673041  32.54136       5.314078  55.77103       44.16782 
1 1 1 10  1   2  o 323.5249 16.35027 20.17459       3.226337  26.37398       3.316913  -43.98828      33.20266 
1 1 1 10  1   3  o 244.6593 19.18986 15.48660       2.991224  11.45263       2.796771  37.80968       39.28814 
1 1 1 10  1   4  o 290.0948 16.60409 18.98059       3.022832  18.32956       2.930238  4.989197       33.54041 
1 1 1 10  1   5  o 387.4165 14.20994 32.03442       3.389178  34.25134       3.429546  -13.06421      28.57058 
1 1 1 10  1   6  o 88.39539 33.20348 0.7110278E-01  2.467450  2.611582       2.467943  -26.82219      54.32661 
1 1 1 10  1   7  o 265.4616 16.97636 15.50093       2.786951  15.78658       2.774828  -2.520142      34.37680 
1 1 1 10  1   8  o 723.4304 14.13033 113.9100       6.301005  117.1589       6.381988  -10.15680      28.39012 
1 1 1 10  1   9  o 137.3692 28.52294 4.364371       2.314062  4.444365       2.389618  -1.193848      53.67603 
1 1 1 10  1   10 o 358.1938 14.34215 29.30628       3.160754  27.46519       3.200235  11.89877       28.91152 
1 1 1 10  1   11 o 220.8616 18.82772 12.88344       2.590665  9.032316       2.520617  40.67691       39.12508 
1 1 1 10  1   12 o 217.5200 22.20847 9.680145       3.733372  11.05043       2.520943  -19.41254      50.98616 
1 1 1 10  1   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  1   14 o 198.1755 19.03994 7.996164       2.336407  9.463808       2.288068  -17.54599      39.26405 
1 1 1 10  1   15 o 487.3657 12.51166 52.05011       3.805815  52.48859       3.753598  -2.104034      25.09199 
1 1 1 10  1   16 o 547.5751 12.49818 65.82738       4.314172  66.11831       4.179593  -1.349121      25.09903 
1 1 1 10  1   17 f 338.5294 13.72735 26.29827       2.988575  24.42538       2.776552  12.36215       27.62171 
1 1 1 10  1   18 o 164.0858 24.79274 7.289784       2.495494  5.035230       2.397299  30.94164       49.96157 
1 1 1 10  1   19 o 267.5015 17.46848 13.41897       2.872257  18.39681       2.893469  -43.18172      35.88857 
1 1 1 10  1   20 o 138.7913 29.28906 8.146358       3.019412  2.742412       2.105294  73.56344       53.37256 
1 1 1 10  1   21 o 240.9144 17.49661 13.91080       2.777996  12.26842       2.447230  14.54774       35.73244 
1 1 1 10  1   22 o 270.8636 17.36884 17.00601       2.865539  15.89618       2.941913  9.891632       35.45878 
1 1 1 10  1   23 o 74.61816 31.70989 -0.3002040E-01 2.595999  0.6547832      2.528059  -4.639923      52.51278 
1 1 1 10  1   24 o 188.2717 23.73283 7.249060       2.744237  9.325157       2.677536  -26.94643      50.19172 
1 1 1 10  1   25 o 223.7690 24.14181 16.22609       4.047030  9.712501       2.853544  54.33669       51.64824 
1 1 1 10  1   26 o 103.1319 34.99773 2.368651       3.084283  2.905529       2.387748  -2.188728      57.88473 
1 1 1 10  1   27 o 72.20460 30.56549 1.498990       2.638525  -0.8566035E-01 2.160900  18.55645       50.73722 
1 1 1 10  2   0  o 216.9210 33.42723 12.71726       4.371371  9.189686       4.336254  36.79956       67.77039 
1 1 1 10  2   1  o 707.5300 21.29189 113.0369       9.459495  110.0462       9.213914  9.142334       42.97731 
1 1 1 10  2   2  o 207.4046 23.13967 8.642545       2.899679  10.78066       2.953942  -24.16164      48.00221 
1 1 1 10  2   3  o 76.92211 32.43063 0.9687372      2.640707  -0.5654092     2.647329  12.90048       54.14319 
1 1 1 10  2   4  o 537.6149 13.91832 61.30249       4.584150  66.28886       4.693315  -21.08716      27.94143 
1 1 1 10  2   5  o 354.8856 15.12664 27.86733       3.361978  27.78845       3.284159  0.3853149      30.44943 
1 1 1 10  2   6  o 225.9589 19.41171 7.860537       2.650407  15.15422       2.740950  -75.91573      41.89686 
1 1 1 10  2   7  o 109.4689 32.70014 1.347943       2.402558  4.107651       2.378023  -35.13909      54.38832 
1 1 1 10  2   8  o 365.1695 14.15153 29.80715       3.185793  29.11607       3.213522  4.392639       28.47366 
1 1 1 10  2   9  o 240.9914 17.68907 14.73522       2.716007  11.36160       2.544295  31.98337       36.08443 
1 1 1 10  2   10 o 417.9854 13.22846 37.90691       3.435149  39.28526       3.416174  -7.596588      26.59819 
1 1 1 10  2   11 o 438.8200 12.92669 44.35025       3.547844  40.76614       3.482909  18.60269       25.98107 
1 1 1 10  2   12 o 261.9998 24.55334 0.000000       0.000000  15.46553       2.788837  ?              ?        
1 1 1 10  2   13 o 291.4868 15.35130 22.15183       2.778582  15.48266       2.753518  52.83542       31.46644 
1 1 1 10  2   14 o 605.0684 12.58306 78.19152       4.655173  83.00441       4.793635  -18.05945      25.24158 
1 1 1 10  2   15 o 199.3574 18.02502 8.437222       2.228048  9.219466       2.182684  -9.310028      36.91351 
1 1 1 10  2   16 o 247.7434 15.24361 12.99506       2.382908  14.10489       2.282907  -10.53822      30.90842 
1 1 1 10  2   17 o 673.9660 12.89497 100.2530       5.461174  99.80798       5.323586  1.357056       25.88326 
1 1 1 10  2   18 o 712.0007 13.55312 119.3226       6.328666  105.5024       5.693561  43.53693       27.22971 
1 1 1 10  2   19 o 335.5992 13.40558 22.67905       2.782314  27.03175       2.787986  -29.77753      27.05805 
1 1 1 10  2   20 o 381.3638 12.88136 31.55303       3.294833  32.52739       2.841196  -6.646698      26.25046 
1 1 1 10  2   21 o 303.0169 15.31909 21.80547       3.618903  19.75620       2.451249  12.06012       32.91727 
1 1 1 10  2   22 o 119.4749 37.84849 3.411858       2.224031  0.000000       0.000000  ?              ?        
1 1 1 10  2   23 o 210.0087 19.63125 11.58788       2.726202  8.908072       2.367206  27.57059       40.74067 
1 1 1 10  2   24 o 137.3412 29.40927 5.343647       2.517478  3.976375       2.351050  18.76656       55.02697 
1 1 1 10  2   25 o 142.5186 28.91889 6.112524       2.560064  4.083817       2.387279  27.47006       54.91810 
1 1 1 10  2   26 o 102.4910 32.06221 4.476388       2.461621  1.381499       2.107217  39.72442       53.22300 
1 1 1 10  2   27 o 267.7426 15.64272 19.91899       2.821569  13.85888       2.402194  48.71985       32.19136 
1 1 1 10  2   28 o 54.81353 25.14979 -0.2701945     2.026493  -0.9341418     1.868827  7.362328       42.53114 
1 1 1 10  3   0  o 382.4908 22.56822 31.19147       5.190700  34.53720       5.483099  -19.37173      45.87248 
1 1 1 10  3   1  o 229.0201 31.55420 11.42289       4.338969  12.74974       4.388984  -13.33315      65.10993 
1 1 1 10  3   2  o 333.4961 16.83565 22.05578       3.395025  27.51107       3.553604  -37.32852      34.06450 
1 1 1 10  3   3  o 254.7076 19.16098 14.33401       3.039059  14.55667       2.972540  -2.217453      38.99728 
1 1 1 10  3   4  o 123.2518 34.02754 0.6583044      2.640213  6.626905       2.736292  -73.41415      54.53926 
1 1 1 10  3   5  o 199.7980 22.35142 11.00028       2.764779  7.057216       2.682666  46.26315       46.80626 
1 1 1 10  3   6  o 152.0080 28.15170 7.040270       2.598636  3.714325       2.516908  45.68295       53.54981 
1 1 1 10  3   7  o 437.6341 13.66167 42.91908       3.743485  41.61432       3.666203  6.721069       27.44032 
1 1 1 10  3   8  o 567.8773 13.39917 73.01599       4.804227  69.30800       4.640194  14.71484       26.92349 
1 1 1 10  3   9  o 264.9349 16.80321 15.10706       2.765829  16.07777       2.729117  -8.585144      34.07842 
1 1 1 10  3   10 o 372.9942 13.58874 30.81668       3.158786  30.69459       3.119293  0.6759033      27.33657 
1 1 1 10  3   11 o 179.4625 21.82389 8.433867       2.382715  6.148460       2.376581  30.01418       45.43854 
1 1 1 10  3   12 o 237.9638 23.94162 0.000000       0.000000  12.78249       2.465069  ?              ?        
1 1 1 10  3   13 o 137.1195 26.87825 4.490604       2.161652  4.174507       2.249886  4.719864       51.32048 
1 1 1 10  3   14 o 599.8851 12.61397 75.26064       4.552400  83.61110       4.849530  -31.51233      25.30885 
1 1 1 10  3   15 o 276.4315 14.36395 15.55567       2.458175  18.16599       2.451093  -21.75146      29.03284 
1 1 1 10  3   16 o 205.0328 17.33610 7.393128       2.229164  11.13370       2.141977  -43.25693      36.70173 
1 1 1 10  3   17 o 562.5927 11.78670 72.02119       4.236415  67.51961       4.000544  18.04260       23.65608 
1 1 1 10  3   18 o 460.1349 11.38016 44.93403       3.255172  48.23521       3.241379  -16.43420      22.86728 
1 1 1 10  3   19 o 256.1116 15.07594 15.59822       2.519916  13.63630       2.268874  17.12622       30.46040 
1 1 1 10  3   20 o 416.8768 13.27846 37.77393       3.012911  39.44442       4.086015  -7.396667      27.79660 
1 1 1 10  3   21 o 174.9106 18.95191 7.100951       2.376564  6.764680       1.791978  1.782700       40.58338 
1 1 1 10  3   22 o 101.7780 27.93293 2.693720       1.938187  2.258317       1.715558  8.000656       48.66338 
1 1 1 10  3   23 o 452.0479 12.03372 46.16016       3.448673  44.57862       3.299156  7.564606       24.23988 
1 1 1 10  3   24 o 115.2411 29.05471 3.011954       2.124417  3.487616       2.031083  -6.874046      51.70885 
1 1 1 10  3   25 f 104.1611 29.20823 2.322034       1.977313  3.058392       1.949118  -10.53078      50.32263 
1 1 1 10  3   26 o 119.3594 25.06961 3.825074       1.826423  3.204127       1.769012  9.937057       47.32920 
1 1 1 10  3   27 o 75.21507 26.77349 1.516514       1.621330  1.072420       1.527009  7.002014       44.05183 
1 1 1 10  3   28 f 118.8589 17.25354 3.671130       1.258878  2.994803       1.212390  12.69959       35.60043 
1 1 1 10  4   0  f 86.58035 35.23869 2.023006       2.993712  -0.4254307     2.951915  21.39022       58.24361 
1 1 1 10  4   1  o 85.71220 37.79826 0.6525513      3.969076  -1.735963      3.876239  15.89342       63.75800 
1 1 1 10  4   2  o 392.8679 22.05548 30.64847       5.158611  38.95635       5.572130  -47.70810      44.79641 
1 1 1 10  4   3  o 683.0620 14.71738 104.4201       6.257097  101.5298       6.215140  9.628662       29.57681 
1 1 1 10  4   4  o 170.7979 27.27655 8.443157       2.827624  4.995357       2.759176  44.75372       54.24717 
1 1 1 10  4   5  o 399.7867 14.60957 36.88642       3.654733  33.76391       3.580453  17.79999       29.38124 
1 1 1 10  4   6  o 372.4995 14.75723 30.76136       3.450918  30.54627       3.357396  1.176147       29.69324 
1 1 1 10  4   7  o 198.6396 21.96864 11.27506       2.729582  6.688136       2.598828  53.92523       46.15641 
1 1 1 10  4   8  o 528.7354 13.49815 60.21854       4.396904  63.17987       4.450741  -12.74561      27.10297 
1 1 1 10  4   9  o 155.0452 26.49239 4.184016       2.448795  6.903175       2.464342  -38.09915      51.90707 
1 1 1 10  4   10 o 558.5279 13.07092 69.04942       4.540968  68.62677       4.516404  1.692627       26.27406 
1 1 1 10  4   11 o 286.8727 15.56187 20.05988       2.829664  16.64158       2.693217  27.12299       31.48447 
1 1 1 10  4   12 o 281.9369 15.67010 17.10133       2.839259  18.09958       2.632067  -8.703461      31.85881 
1 1 1 10  4   13 o 257.1118 15.42872 16.48883       2.510735  12.97320       2.392413  31.28752       31.28089 
1 1 1 10  4   14 o 187.8605 19.69356 7.217866       2.253481  8.564612       2.268380  -16.84315      40.63483 
1 1 1 10  4   15 o 318.2966 13.17043 21.13510       2.556342  23.59337       2.635110  -17.61050      26.47459 
1 1 1 10  4   16 o 468.9390 11.71651 47.77771       3.444902  48.90571       3.372733  -5.566559      23.52863 
1 1 1 10  4   17 o 512.2294 11.60796 58.01514       3.756880  57.44500       3.623509  2.412384       23.30547 
1 1 1 10  4   18 o 93.13341 28.83995 1.703820       1.942273  2.135558       1.746816  -4.153023      48.71713 
1 1 1 10  4   19 f 318.5097 12.20625 22.65012       2.500167  22.11781       2.323935  3.585815       24.57137 
1 1 1 10  4   20 o 64.29851 28.08357 -4.696077      2.222793  3.422454       2.027405  -67.80707      44.42346 
1 1 1 10  4   21 o 287.7884 11.84483 18.02126       2.211372  18.52691       2.021459  -4.421753      23.96641 
1 1 1 10  4   22 o 465.3390 11.85668 53.32716       4.390788  45.51239       2.897059  34.42908       25.25042 
1 1 1 10  4   23 o 281.6339 12.18533 19.24229       2.236503  16.27054       2.026546  23.52609       24.58891 
1 1 1 10  4   24 o 61.47303 25.87329 0.1167542      1.709869  0.3447401      1.648491  -1.283936      42.95261 
1 1 1 10  4   25 o 74.99028 25.74396 -0.3177164     1.525294  2.529618       1.377157  -38.91304      40.35871 
1 1 1 10  4   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  4   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  4   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  5   0  f 209.9473 35.32937 8.867528       4.465642  11.71688       4.410664  -30.10812      70.33411 
1 1 1 10  5   1  o 547.6912 15.47188 69.24062       5.367470  63.78551       5.142200  22.39752       31.12106 
1 1 1 10  5   2  o 369.0125 22.70000 31.02663       5.311802  30.00998       5.040864  5.563019       46.18692 
1 1 1 10  5   3  o 226.5081 31.56452 11.14237       4.279042  12.49848       4.351373  -13.66473      65.00687 
1 1 1 10  5   4  o 235.4795 20.67428 12.52981       3.019648  12.28480       2.959905  2.239670       42.33981 
1 1 1 10  5   5  o 620.0142 14.16241 86.88374       5.521675  82.79522       5.375218  14.88989       28.45812 
1 1 1 10  5   6  o 469.9069 13.93693 51.03791       4.148057  46.61682       3.973618  21.28491       27.99451 
1 1 1 10  5   7  o 358.1954 15.04777 27.85349       3.352711  28.88022       3.319745  -6.646606      30.30657 
1 1 1 10  5   8  o 194.3594 22.27183 9.791744       2.657709  7.279230       2.616301  30.37946       46.34896 
1 1 1 10  5   9  o 197.9478 21.78923 8.292954       2.635720  9.367574       2.626952  -12.88704      45.13729 
1 1 1 10  5   10 o 113.8503 32.52451 3.883987       2.450036  2.227437       2.374207  22.22249       55.53143 
1 1 1 10  5   11 o 274.8734 16.12262 13.71531       2.656969  20.26768       2.824712  -54.61533      32.99508 
1 1 1 10  5   12 o 386.3300 13.29030 34.07498       3.198849  31.91239       3.161987  12.77283       26.73070 
1 1 1 10  5   13 o 348.7360 13.41303 27.03021       2.885156  26.67066       2.907386  2.402130       26.97322 
1 1 1 10  5   14 o 282.5967 14.42588 18.73083       2.554958  16.60782       2.487395  17.16739       29.08065 
1 1 1 10  5   15 o 685.2045 12.90773 100.0341       5.400668  106.7635       5.576324  -22.28766      25.88834 
1 1 1 10  5   16 o 133.5574 24.62190 3.020461       1.968779  5.128481       1.960744  -33.16261      47.11028 
1 1 1 10  5   17 o 850.1948 14.38574 156.5735       7.517190  162.0523       7.658675  -14.57678      28.83826 
1 1 1 10  5   18 o 323.3852 11.89938 26.12593       2.487091  20.44783       2.290928  39.84161       23.92555 
1 1 1 10  5   19 o 608.8770 11.78197 82.99702       4.538043  80.30835       4.366964  9.906738       23.64378 
1 1 1 10  5   20 o 616.9432 11.79640 87.30951       4.664539  80.72228       4.378092  24.05121       23.67745 
1 1 1 10  5   21 o 345.2906 14.94983 26.42386       2.258874  0.000000       0.000000  ?              ?        
1 1 1 10  5   22 o 352.3286 10.06404 28.29958       2.375600  26.71159       2.053947  9.668518       20.35298 
1 1 1 10  5   23 o 77.56287 24.46923 2.187137       1.307102  0.5227187      1.324786  27.48100       40.12566 
1 1 1 10  5   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  5   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  5   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  5   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  5   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  6   0  o 150.8117 44.29541 4.055882       4.331489  6.843637       4.505510  -27.31267      75.25258 
1 1 1 10  6   1  o 140.6577 44.61357 9.130171       4.572240  0.8415892      4.190563  77.08052       71.61591 
1 1 1 10  6   2  o 285.1998 20.25125 19.88417       3.594430  16.55057       3.525473  27.01019       41.38349 
1 1 1 10  6   3  o 243.3206 31.51687 14.49500       4.870276  12.89394       4.449059  13.53973       65.49364 
1 1 1 10  6   4  o 227.5553 32.50726 8.524060       4.631834  14.92340       4.303065  -65.78162      67.23491 
1 1 1 10  6   5  o 336.8673 16.43355 24.11825       3.442769  26.17630       3.404919  -14.16519      33.20864 
1 1 1 10  6   6  o 398.5781 17.33123 32.67834       5.115411  36.60034       3.746916  -25.94931      37.55005 
1 1 1 10  6   7  o 225.5311 20.61247 12.89362       2.899453  9.991984       2.806556  29.90817       42.57182 
1 1 1 10  6   8  o 530.8360 13.82764 62.36331       4.610065  62.12000       4.491081  0.8520508      27.78700 
1 1 1 10  6   9  o 160.2027 38.18634 6.138208       2.645247  0.000000       0.000000  ?              ?        
1 1 1 10  6   10 o 150.2827 27.95464 4.319124       2.538397  6.138176       2.482806  -25.54393      53.92471 
1 1 1 10  6   11 o 294.5789 15.78065 19.61349       2.867547  18.91919       2.878741  5.470184       31.89941 
1 1 1 10  6   12 o 248.0829 17.68021 12.12080       2.681923  15.36647       2.724564  -30.32605      36.19652 
1 1 1 10  6   13 o 402.1825 13.08644 34.76123       3.237719  36.64580       3.283740  -10.66830      26.29179 
1 1 1 10  6   14 o 389.8828 13.48608 36.63589       3.262818  30.41730       3.250678  36.56943       27.20192 
1 1 1 10  6   15 o 647.1172 12.98882 93.50150       5.276897  90.83873       5.153248  9.294128       26.05815 
1 1 1 10  6   16 o 500.1960 13.90654 52.04826       5.246941  56.68413       3.744931  -23.04922      30.00770 
1 1 1 10  6   17 o 335.7795 12.11640 24.07144       2.524920  25.60399       2.514312  -10.47256      24.34636 
1 1 1 10  6   18 o 300.8265 12.33727 20.28054       2.296667  19.64538       2.298051  4.846924       24.80660 
1 1 1 10  6   19 o 359.2146 11.59877 30.92066       2.733484  26.43039       2.451733  28.15622       23.29445 
1 1 1 10  6   20 o 869.9693 14.40295 166.0551       7.782039  167.8676       7.763386  -4.788330      28.89174 
1 1 1 10  6   21 o 106.5811 24.87879 2.311268       1.678496  2.939770       1.557782  -10.29413      45.08443 
1 1 1 10  6   22 o 296.8179 10.01134 19.59035       1.811283  19.28497       1.871543  2.481293       20.13318 
1 1 1 10  6   23 o 56.54923 24.25997 0.000000       0.000000  0.6739293E-02  1.078210  ?              ?        
1 1 1 10  6   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  6   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  6   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  6   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  7   0  o 265.7915 21.20582 15.37068       3.481935  16.12634       3.452960  -6.713776      43.25627 
1 1 1 10  7   1  o 326.9215 25.82437 22.78509       5.106306  25.40662       5.287592  -18.16791      52.92443 
1 1 1 10  7   2  o 326.3014 26.32092 24.15015       5.142680  23.93343       5.434346  2.696320       54.19241 
1 1 1 10  7   3  o 146.7362 34.99619 3.804907       3.176718  6.366495       3.105696  -30.93846      62.49327 
1 1 1 10  7   4  o 376.1408 22.98942 35.21480       5.676223  28.94877       5.054592  36.55231       46.77582 
1 1 1 10  7   5  o 439.6812 21.58046 41.94970       6.026535  44.28662       5.721253  -13.16760      43.87241 
1 1 1 10  7   6  o 499.0868 14.56388 54.69333       4.523467  55.44541       4.484909  -3.525604      29.28347 
1 1 1 10  7   7  o 879.3384 16.27922 172.6207       8.947418  169.7065       8.813801  7.344177       32.75002 
1 1 1 10  7   8  o 593.7238 14.02809 77.42873       5.197316  78.26724       5.136293  -3.343628      28.21583 
1 1 1 10  7   9  f 106.4590 34.29707 3.616105       2.682516  1.642481       2.478221  25.19244       57.20538 
1 1 1 10  7   10 o 71.18758 30.79532 -0.4046453     2.551688  0.1449420      2.445302  -2.731529      51.69537 
1 1 1 10  7   11 o 392.3147 14.08356 34.99403       3.526978  33.22122       3.325557  9.953918       28.35831 
1 1 1 10  7   12 o 137.1853 29.40483 4.599873       2.470676  4.225541       2.385781  5.393127       54.82712 
1 1 1 10  7   13 o 75.78025 31.17721 -1.365414      2.368245  2.247232       2.348560  -33.87774      51.22478 
1 1 1 10  7   14 o 188.0847 22.21656 9.242371       2.500737  6.567864       2.585585  33.85933       46.50903 
1 1 1 10  7   15 o 425.3706 12.51714 39.26400       3.284891  40.42305       3.313813  -6.205688      25.11214 
1 1 1 10  7   16 o 313.2914 13.37295 20.98680       2.576467  22.31332       2.609724  -9.671478      26.88862 
1 1 1 10  7   17 o 329.5461 12.59815 21.97751       2.536171  26.01132       2.606520  -27.96252      25.35460 
1 1 1 10  7   18 o 289.8432 13.24000 18.02541       2.400938  19.05766       2.348352  -8.278137      26.68484 
1 1 1 10  7   19 o 298.4325 13.16313 23.16617       2.588599  16.90580       2.298761  47.39233       26.51160 
1 1 1 10  7   20 o 127.2091 25.69227 4.547228       2.027859  3.036103       1.893982  24.06853       48.29690 
1 1 1 10  7   21 o 196.4928 16.99531 8.776445       2.072027  8.475677       2.030965  3.431015       34.75474 
1 1 1 10  7   22 o 162.8200 18.30630 6.592699       2.016800  5.567540       1.666743  12.94890       38.09158 
1 1 1 10  7   23 o 364.1310 16.07367 29.65112       2.560959  0.000000       0.000000  ?              ?        
1 1 1 10  7   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  7   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  7   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  7   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  8   0  o 441.6423 17.00078 43.64246       4.622103  42.48060       4.676030  6.107910       34.19737 
1 1 1 10  8   1  o 89.95148 37.12011 -0.8406811     3.291847  2.208966       3.425278  -25.81443      61.66047 
1 1 1 10  8   2  o 301.7655 20.59755 18.91826       3.714964  21.89555       3.962099  -22.20285      41.85940 
1 1 1 10  8   3  o 333.4449 27.57962 26.78879       5.548162  23.41800       5.765435  24.75235       57.21575 
1 1 1 10  8   4  o 282.8273 30.70732 20.70667       5.208928  15.76493       5.398232  42.75931       65.07603 
1 1 1 10  8   5  o 224.6696 33.48122 10.71768       4.500898  12.79224       4.547255  -21.04720      68.50134 
1 1 1 10  8   6  o 595.1326 21.38744 83.63200       8.128907  75.06063       7.657826  31.87585       43.24862 
1 1 1 10  8   7  o 62.73524 29.40636 -2.720368      2.905044  -1.196827      2.857237  -7.953407      51.13807 
1 1 1 10  8   8  o 539.9580 14.84957 62.30426       4.855432  66.97293       5.091142  -19.34784      29.86795 
1 1 1 10  8   9  o 441.6460 14.82135 42.80098       4.023209  43.59378       4.087015  -3.986298      29.83289 
1 1 1 10  8   10 o 398.4028 15.19192 36.37882       3.782973  34.00932       3.713228  13.51382       30.60740 
1 1 1 10  8   11 o 287.4090 18.00767 18.79346       3.229311  18.03385       3.160553  5.923096       36.52368 
1 1 1 10  8   12 o 308.7851 16.59575 19.18339       3.106528  23.29991       3.231501  -30.44916      33.59819 
1 1 1 10  8   13 o 339.7462 15.58895 24.50095       3.301670  26.53172       3.252171  -13.84341      31.45531 
1 1 1 10  8   14 o 341.3301 21.83256 25.92041       3.251603  0.000000       0.000000  ?              ?        
1 1 1 10  8   15 o 346.5489 14.62406 24.82028       3.143875  28.15675       3.129554  -22.13144      29.47941 
1 1 1 10  8   16 o 249.6945 17.92090 12.97822       2.682898  14.79013       2.838301  -16.47025      36.34706 
1 1 1 10  8   17 o 149.5089 26.25462 5.364172       2.351334  4.882090       2.341002  6.989716       51.52451 
1 1 1 10  8   18 o 428.3838 12.20961 39.61758       3.179332  41.35757       3.306858  -9.122284      24.51192 
1 1 1 10  8   19 f 192.6008 22.94968 9.974471       2.680906  6.750449       2.695197  39.56395       48.02966 
1 1 1 10  8   20 o 281.7285 15.22088 16.11657       2.636841  19.06582       2.663671  -24.09024      30.81589 
1 1 1 10  8   21 o 209.3424 24.32128 0.000000       0.000000  9.955778       2.191765  ?              ?        
1 1 1 10  8   22 o 65.25224 27.74430 0.9915194      1.996123  -0.7314560     1.930610  17.77760       46.35909 
1 1 1 10  8   23 o 105.1776 22.08214 1.831825       1.445182  3.261387       1.349281  -26.30704      40.74609 
1 1 1 10  8   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  8   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  8   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  8   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  9   0  o 499.2505 16.82780 58.52119       5.311532  51.70009       5.102828  31.05795       33.81099 
1 1 1 10  9   1  o 197.3443 29.70135 8.968089       3.547316  8.758627       3.499831  2.311356       60.14211 
1 1 1 10  9   2  o 406.2770 17.78393 37.78563       4.515622  35.31103       4.427838  13.85788       35.82637 
1 1 1 10  9   3  o 117.8469 39.17225 4.089140       3.360704  2.025585       3.332175  21.20045       64.99786 
1 1 1 10  9   4  o 294.5276 27.48202 22.96960       5.061121  16.56384       4.870466  50.70361       57.42406 
1 1 1 10  9   5  f 160.2220 44.29838 6.006825       4.460979  6.431572       4.644895  -4.625153      76.85618 
1 1 1 10  9   6  o 223.9210 31.91285 9.274129       3.718737  16.35405       5.309007  -63.62344      65.79157 
1 1 1 10  9   7  o 279.7205 31.82520 17.33885       5.582615  18.60766       5.278385  -12.43686      66.87231 
1 1 1 10  9   8  o 271.2663 22.06190 16.04748       3.701350  17.01723       3.659761  -8.547577      45.25174 
1 1 1 10  9   9  o 137.0815 37.46331 3.032651       3.200493  6.079785       3.356765  -35.35717      64.32440 
1 1 1 10  9   10 o 167.0258 31.86677 4.599462       3.159949  8.529438       3.203023  -48.38445      60.33009 
1 1 1 10  9   11 o 91.75336 36.45120 3.027502       3.127323  -0.7059339     3.072060  33.12617       59.75119 
1 1 1 10  9   12 o 96.05003 36.32982 2.277275       2.953206  0.8673070      2.978483  13.09920       59.85813 
1 1 1 10  9   13 o 75.26828 32.96534 -1.467190      2.923218  0.6832700      2.950007  -16.24040      55.66816 
1 1 1 10  9   14 o 529.7092 20.14214 62.15331       4.671458  0.000000       0.000000  ?              ?        
1 1 1 10  9   15 o 526.7751 13.71296 60.86348       4.456473  61.39796       4.498149  -2.277832      27.51143 
1 1 1 10  9   16 o 469.0507 13.87712 47.75019       4.056472  49.21990       4.010468  -7.229187      27.86625 
1 1 1 10  9   17 o 371.7831 14.73378 31.38237       3.426270  29.70853       3.357276  10.22452       29.63578 
1 1 1 10  9   18 o 292.8948 16.03822 18.78722       2.975044  19.22382       2.835656  -3.748413      32.45156 
1 1 1 10  9   19 o 203.9954 23.00114 9.006350       2.960583  9.709282       2.768905  -8.925797      47.81621 
1 1 1 10  9   20 o 186.7678 24.50572 7.300086       2.844461  8.472727       2.702406  -15.28308      50.71220 
1 1 1 10  9   21 o 590.6317 19.17280 0.000000       0.000000  77.73569       4.960526  ?              ?        
1 1 1 10  9   22 o 228.0801 16.54556 10.71468       2.313345  12.57430       2.336822  -18.92076      33.82471 
1 1 1 10  9   23 o 280.2310 17.83509 0.000000       0.000000  17.68583       2.180888  ?              ?        
1 1 1 10  9   24 f 161.9124 13.76473 6.460711       1.719562  5.628494       1.171759  8.436920       29.91125 
1 1 1 10  9   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  9   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  9   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  10  0  o 347.8349 19.73530 23.19757       4.134724  30.76864       4.355481  -49.80249      40.03700 
1 1 1 10  10  1  o 496.3990 16.81402 54.47393       5.156887  54.22167       5.183239  1.193512       33.77603 
1 1 1 10  10  2  o 233.2271 25.79403 13.32502       3.652202  11.07718       3.687002  22.87984       53.47154 
1 1 1 10  10  3  o 173.9220 33.92738 7.750436       3.428255  6.176835       3.638847  18.62901       64.79461 
1 1 1 10  10  4  o 262.7350 23.82840 15.20387       3.724456  15.77021       3.970017  -4.284851      48.95076 
1 1 1 10  10  5  o 163.0314 36.32850 6.316364       3.518346  6.213064       3.644903  1.083923       67.02458 
1 1 1 10  10  6  o 151.0115 45.46647 6.038629       4.586603  4.779808       4.628068  11.36342       77.09026 
1 1 1 10  10  7  f 344.6669 25.98326 26.14834       5.378180  27.47765       5.661563  -8.002533      53.24341 
1 1 1 10  10  8  f 285.2146 31.55628 17.62573       5.303418  19.81919       5.697339  -16.42087      65.87187 
1 1 1 10  10  9  o 411.7481 25.27800 40.02544       6.513513  36.29740       6.340542  20.50623       51.52326 
1 1 1 10  10  10 o 160.2781 33.28938 5.802615       3.004910  6.327565       3.442373  -6.463196      62.91568 
1 1 1 10  10  11 o 91.51619 35.34680 1.460681       2.815382  1.129257       2.877948  2.326942       58.39794 
1 1 1 10  10  12 o 276.7634 18.88276 15.60214       3.211028  18.47126       3.233919  -24.00885      38.44486 
1 1 1 10  10  13 o 151.2276 39.26891 5.740553       5.201986  5.253364       3.044579  13.67894       72.55452 
1 1 1 10  10  14 o 330.4778 25.80459 24.42090       3.710959  0.000000       0.000000  ?              ?        
1 1 1 10  10  15 o 529.9851 15.89416 61.01641       5.201833  62.96175       5.237290  -8.364685      31.92599 
1 1 1 10  10  16 f 235.3185 24.36278 12.69340       3.442754  12.16046       3.570594  5.784439       50.32788 
1 1 1 10  10  17 o 321.5358 19.55849 24.61247       3.910238  21.41829       3.855524  22.86908       39.68906 
1 1 1 10  10  18 o 339.7476 17.46335 25.37143       3.777407  25.85035       3.567753  -3.737671      35.36025 
1 1 1 10  10  19 o 128.3957 44.82415 3.529795       3.104362  0.000000       0.000000  ?              ?        
1 1 1 10  10  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  10  21 o 222.0643 21.26584 11.02667       3.125627  11.19384       2.706663  -3.735306      44.49314 
1 1 1 10  10  22 o 578.7332 13.28429 75.29974       4.724878  73.04830       4.814509  9.162354       26.77031 
1 1 1 10  10  23 o 292.9413 14.22076 19.74429       2.549254  18.53629       2.604519  9.765869       28.84105 
1 1 1 10  10  24 o 227.0239 13.14846 10.81656       1.865573  12.21859       1.822663  -14.57327      26.81931 
1 1 1 10  10  25 o 44.76543 19.62630 -0.3238865E-01 1.091352  -0.1804260     1.001040  4.038002       33.07771 
1 1 1 10  10  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  10  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  10  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  11  0  o 223.4558 28.01195 10.54762       3.779009  12.01476       3.816808  -15.32507      57.78267 
1 1 1 10  11  1  o 336.5742 20.46665 22.76907       4.125402  27.76200       4.393023  -33.74951      41.41484 
1 1 1 10  11  2  o 275.3613 22.83002 14.87239       3.781761  19.07974       3.953190  -35.25282      46.77128 
1 1 1 10  11  3  o 108.8627 39.05916 0.5751337      3.308818  4.095645       3.398152  -34.57697      63.94454 
1 1 1 10  11  4  o 144.9193 37.50927 4.265281       3.284001  5.638363       3.524349  -16.83310      66.11361 
1 1 1 10  11  5  o 230.0042 26.66056 10.51839       3.789769  13.25474       3.679586  -28.52185      55.58607 
1 1 1 10  11  6  o 141.2589 40.06951 4.529494       3.561414  4.820877       3.794878  -4.307144      69.08258 
1 1 1 10  11  7  o 415.2975 26.32204 44.91532       6.744905  32.35171       6.747357  70.66205       54.48734 
1 1 1 10  11  8  o 529.6121 24.68684 68.87836       8.160549  56.60382       8.017420  53.25290       50.17523 
1 1 1 10  11  9  o 715.4098 24.62547 114.1685       7.716008  0.000000       0.000000  ?              ?        
1 1 1 10  11  10 o 149.0749 52.51248 6.108491       5.910531  3.311749       6.166214  18.19850       86.48771 
1 1 1 10  11  11 o 190.3320 52.75762 12.93192       6.712725  5.160296       6.206532  63.76062       89.63409 
1 1 1 10  11  12 o 96.37143 39.74757 0.4109324      3.798025  1.084335       3.895302  -6.128906      66.10242 
1 1 1 10  11  13 o 114.5326 46.50579 0.000000       0.000000  1.418228       3.650827  ?              ?        
1 1 1 10  11  14 o 158.4781 37.76846 7.646438       3.634090  4.081060       3.686549  39.93791       67.06692 
1 1 1 10  11  15 o 340.0380 20.16108 22.30825       4.101413  29.51169       4.379320  -48.30368      40.93173 
1 1 1 10  11  16 o 91.24788 37.45442 1.330272       3.400398  0.1314379      3.386589  9.596008       62.19269 
1 1 1 10  11  17 o 334.6939 19.09859 25.45967       4.003749  24.39810       3.895946  7.068787       38.65483 
1 1 1 10  11  18 o 206.9734 27.62025 9.507710       3.539818  10.03834       3.381082  -6.680099      57.08687 
1 1 1 10  11  19 o 260.2102 23.82607 14.53195       3.828874  15.90912       3.778066  -12.66805      49.12679 
1 1 1 10  11  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  11  21 o 96.74332 36.13609 1.405805       2.943277  2.097389       2.886272  -6.039291      59.48893 
1 1 1 10  11  22 o 532.7353 13.96094 64.90318       4.599401  61.14357       4.619966  16.27893       28.14422 
1 1 1 10  11  23 o 103.7082 32.75404 2.178837       2.353973  2.976690       2.360315  -9.903412      54.90031 
1 1 1 10  11  24 o 152.7384 22.66286 5.009970       2.203631  5.878437       1.978883  -14.92828      46.95000 
1 1 1 10  11  25 o 100.1625 25.54271 1.960736       1.653019  2.925454       1.536821  -15.80165      44.98794 
1 1 1 10  11  26 o 98.11128 23.11875 2.382869       1.185462  2.341518       1.733221  0.9661407      42.96488 
1 1 1 10  11  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  11  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  11  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  11  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  12  0  o 497.4564 20.50630 58.00246       6.369150  51.83112       6.260876  28.35001       41.37025 
1 1 1 10  12  1  o 128.7280 45.47730 1.691067       4.480351  5.133982       4.577810  -29.37936      74.85540 
1 1 1 10  12  2  o 282.5169 28.11264 18.64184       4.895246  17.21660       4.828366  11.70682       57.92519 
1 1 1 10  12  3  o 278.9852 27.89039 19.43937       4.829309  15.59104       4.697601  32.15454       57.67274 
1 1 1 10  12  4  o 101.5742 42.16218 0.7056183E-02  4.332182  1.379719       4.399161  -10.12951      70.21997 
1 1 1 10  12  5  o 295.9666 26.30784 22.59506       4.867125  16.80243       4.696808  45.49023       54.38465 
1 1 1 10  12  6  o 339.3043 24.09855 27.34073       5.057624  23.98747       5.020964  22.90262       49.08603 
1 1 1 10  12  7  o 159.1674 45.16872 9.216442       4.625163  2.552247       4.707543  61.50502       75.02787 
1 1 1 10  12  8  o 534.0752 19.88910 63.23154       6.513236  63.08522       6.644130  0.8365479      40.05611 
1 1 1 10  12  9  o 182.0735 50.87473 9.094837       5.680233  6.441943       6.301886  20.02557       87.61436 
1 1 1 10  12  10 o 253.3836 40.65646 14.91872       5.896448  14.87112       6.495502  2.038223       82.13230 
1 1 1 10  12  11 o 408.6870 26.76842 37.68425       5.643437  36.44381       8.940211  15.81680       61.91561 
1 1 1 10  12  12 o 221.5096 59.00905 8.689033       7.789180  16.08337       8.811892  -55.03284      102.7461 
1 1 1 10  12  13 o 365.6121 36.65231 0.000000       0.000000  30.41192       5.798731  ?              ?        
1 1 1 10  12  14 o 147.6401 44.73888 6.136777       4.225716  3.695717       4.715947  19.81360       75.42569 
1 1 1 10  12  15 o 138.2108 45.06200 5.082772       4.279923  3.390875       4.610866  12.80687       75.14304 
1 1 1 10  12  16 o 90.50278 39.71103 2.657362       4.175208  -4.020751      4.390876  37.26054       66.46363 
1 1 1 10  12  17 o 604.8115 17.70717 78.67881       6.499521  83.76826       6.781826  -18.73981      35.65583 
1 1 1 10  12  18 o 130.9783 44.38853 7.403354       4.269350  0.1470535      4.321542  62.30776       70.92893 
1 1 1 10  12  19 o 548.7691 17.31348 67.27055       5.768113  66.18806       6.012187  5.022461       34.90551 
1 1 1 10  12  20 o 170.5814 49.62778 7.201713       3.935891  0.000000       0.000000  ?              ?        
1 1 1 10  12  21 o 149.7230 35.57504 4.273625       3.349525  6.463428       3.168020  -25.88644      63.90551 
1 1 1 10  12  22 o 309.8401 26.54732 0.000000       0.000000  22.19558       3.573205  ?              ?        
1 1 1 10  12  23 o 65.25201 29.62715 -4.200731      2.601830  2.638777       2.611134  -48.11658      50.40585 
1 1 1 10  12  24 o 89.70234 32.30635 2.860792       2.581811  1.133776       2.088056  23.14372       53.55550 
1 1 1 10  12  25 o 176.1920 21.26510 7.430008       2.713633  7.263700       2.000515  -6.101791      47.03298 
1 1 1 10  12  26 o 66.03231 27.66144 -0.1205289     1.646074  1.704305       2.341261  -26.24081      47.02576 
1 1 1 10  12  27 o 205.7488 12.22927 9.608294       1.555040  9.603636       1.552529  0.2914429E-01  25.03831 
1 1 1 10  12  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  12  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  12  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  13  0  o 103.9924 48.85902 0.000000       0.000000  -5.303219      5.680261  ?              ?        
1 1 1 10  13  1  o 749.7091 20.11598 126.5529       9.318226  122.4501       9.375404  12.65289       40.48642 
1 1 1 10  13  2  o 371.6988 26.40990 33.57949       6.095737  28.30676       6.004759  32.83203       53.97251 
1 1 1 10  13  3  o 78.67497 37.37709 -6.574077      4.883077  -1.629081      5.020242  -22.29092      66.02697 
1 1 1 10  13  4  o 211.2878 40.11638 8.571676       4.915896  12.44862       5.230006  -38.00481      76.92685 
1 1 1 10  13  5  o 577.0510 19.79050 72.30665       6.999782  75.02048       7.149925  -10.58643      39.80899 
1 1 1 10  13  6  o 234.1830 34.49379 12.51807       4.800829  12.54775       4.923366  0.3640747E-01  70.24546 
1 1 1 10  13  7  o 406.0962 21.84888 37.06245       5.377343  36.07789       5.596596  5.983582       44.20750 
1 1 1 10  13  8  o 136.2223 45.99806 3.688008       4.803474  4.271166       4.442050  -2.252350      76.57617 
1 1 1 10  13  9  o 407.2577 23.17986 35.57256       5.691513  38.29877       5.982906  -14.89899      46.90231 
1 1 1 10  13  10 f 175.0814 44.23002 3.789531       4.672856  11.12031       4.947926  -71.00278      75.74809 
1 1 1 10  13  11 o 192.8651 47.34443 10.07721       5.543228  7.556194       5.703425  22.53476       84.54887 
1 1 1 10  13  12 o 287.5208 34.21658 19.87102       5.915300  17.72155       6.053341  18.22894       71.23066 
1 1 1 10  13  13 f 230.0099 52.60369 9.679906       6.233173  19.74723       9.380547  -77.15927      98.29961 
1 1 1 10  13  14 o 153.5638 61.09116 -4.456193      8.292755  13.71363       9.214332  -99.54727      98.79801 
1 1 1 10  13  15 o 120.3396 48.93079 0.7369517E-01  8.313066  2.222423       4.634579  20.34109       84.28719 
1 1 1 10  13  16 o 288.0134 27.59754 19.34708       4.764590  18.19448       4.983474  10.40723       57.31287 
1 1 1 10  13  17 o 243.8153 31.75006 12.14396       4.519988  15.48337       4.876353  -30.56458      65.84738 
1 1 1 10  13  18 o 226.5132 36.04131 8.621088       4.624540  16.25270       5.218486  -72.68498      71.70099 
1 1 1 10  13  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  13  20 o 240.4937 31.74802 13.88671       4.505154  12.98697       4.745617  10.24319       66.36385 
1 1 1 10  13  21 o 255.2586 39.93468 0.000000       0.000000  15.87653       4.324832  ?              ?        
1 1 1 10  13  22 o 96.13499 37.86236 -1.050658      3.302905  4.286327       3.332033  -44.30540      61.08979 
1 1 1 10  13  23 f 98.81090 35.97169 0.6938064      2.961806  3.471608       2.761672  -25.18713      58.24667 
1 1 1 10  13  24 o 114.7524 39.47662 0.000000       0.000000  3.477639       2.403918  ?              ?        
1 1 1 10  13  25 o 133.8274 32.10016 7.188378       3.138946  3.309977       2.309150  45.43831       58.52380 
1 1 1 10  13  26 o 231.3628 20.88402 12.09678       2.624700  13.90842       3.484970  -6.167297      46.07978 
1 1 1 10  13  27 o 114.3466 25.32091 3.747803       1.650656  2.900789       1.866411  15.26276       46.98896 
1 1 1 10  13  28 o 189.4781 14.38556 8.841084       1.694972  7.811511       1.661923  12.49844       30.00023 
1 1 1 10  13  29 o 109.2907 18.11147 3.510451       1.026718  1.752196       1.449630  37.53458       36.58199 
1 1 1 10  14  0  o 456.8403 26.07646 46.23729       7.112076  46.99761       7.633675  -2.666351      52.99849 
1 1 1 10  14  1  o 185.1457 51.82595 10.72395       6.028999  5.414742       6.356391  42.18697       88.26490 
1 1 1 10  14  2  o 392.2046 25.81228 37.02933       6.240709  31.80362       6.249358  31.04538       52.71614 
1 1 1 10  14  3  o 420.5461 24.23396 36.22714       6.110029  43.11781       6.498345  -36.97232      49.16068 
1 1 1 10  14  4  o 311.0211 29.46021 24.55166       5.608725  19.05816       5.623479  41.86685       61.43800 
1 1 1 10  14  5  o 164.5203 47.46699 7.894064       4.935970  4.625104       5.307176  27.40836       80.72911 
1 1 1 10  14  6  o 241.9229 35.27975 15.61158       5.076209  11.11216       5.203444  43.10762       72.14332 
1 1 1 10  14  7  o 337.7053 26.24403 24.21846       5.361354  26.89509       5.552927  -18.00647      53.57308 
1 1 1 10  14  8  o 522.2505 21.03202 64.38788       6.785258  56.48895       6.814149  34.85907       42.49782 
1 1 1 10  14  9  o 152.5037 48.01162 3.568278       4.950686  7.270292       5.194971  -33.09782      80.29399 
1 1 1 10  14  10 o 156.8511 47.54624 3.559546       4.831190  8.286431       5.246916  -43.65388      79.85609 
1 1 1 10  14  11 o 421.8393 23.80188 42.70197       6.100338  36.37888       6.311246  35.24527       48.58308 
1 1 1 10  14  12 o 420.5517 23.55755 42.63369       6.034668  36.02424       6.211263  36.87314       48.08727 
1 1 1 10  14  13 o 122.2008 48.52361 3.536963       5.315599  0.5154804      5.682092  16.06822       79.78033 
1 1 1 10  14  14 o 382.0460 29.79343 33.30901       6.826147  32.69824       7.198660  5.107452       61.35947 
1 1 1 10  14  15 o 368.2013 30.37266 30.90911       5.523525  30.49127       10.24347  24.93228       78.72717 
1 1 1 10  14  16 o 595.0892 32.33171 84.25137       11.54224  76.65307       12.27188  32.90680       66.77089 
1 1 1 10  14  17 o 378.6849 34.29651 57.32635       11.09214  24.43040       6.542192  168.2115       71.52976 
1 1 1 10  14  18 o 117.9647 46.65855 1.108947       4.799166  3.387481       5.361948  -20.30296      77.07722 
1 1 1 10  14  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  14  20 o 306.3557 39.50522 22.54607       5.185170  0.000000       0.000000  ?              ?        
1 1 1 10  14  21 o 125.3913 44.33147 -0.1269077     4.354867  7.317221       4.254145  -59.68845      70.39140 
1 1 1 10  14  22 o 116.5056 42.23829 4.359643       3.896928  1.978202       3.969873  19.15967       68.76723 
1 1 1 10  14  23 o 179.3628 32.75896 10.88192       3.570993  5.372665       3.453129  63.17609       63.02467 
1 1 1 10  14  24 o 114.7578 36.41285 2.252529       2.906510  4.829607       2.913808  -27.37048      60.06897 
1 1 1 10  14  25 o 109.6195 36.13250 2.480186       2.976939  3.894379       2.736050  -14.00967      59.33966 
1 1 1 10  14  26 o 75.01096 31.09033 2.854440       2.616178  -0.4163025     2.180447  32.15886       51.21162 
1 1 1 10  14  27 o 58.80911 27.31344 -0.9040237     2.106569  -0.4217165     2.846271  -11.55082      46.28466 
1 1 1 10  14  28 o 171.6154 19.32024 9.094936       2.161644  5.674647       1.904781  43.45197       41.82841 
1 1 1 10  14  29 o 61.00191 25.52490 0.9239851      1.630431  0.2612065      1.607237  6.832211       41.37215 
1 1 1 10  15  0  o 298.7480 36.01311 21.20658       6.423283  19.81384       6.662184  12.15833       75.33971 
1 1 1 10  15  1  o 76.13097 38.54471 -21.56732      6.408823  0.000000       0.000000  ?              ?        
1 1 1 10  15  2  o 576.0284 23.20888 73.97781       8.137443  73.54768       8.422036  2.271851       46.88098 
1 1 1 10  15  3  o 556.7452 23.46426 67.51259       7.906047  70.61912       8.277671  -12.08484      47.41474 
1 1 1 10  15  4  o 403.5671 26.45560 33.06109       6.259452  40.78487       6.970591  -42.37527      53.87342 
1 1 1 10  15  5  o 345.2543 29.63072 26.35713       6.050020  27.57925       6.548888  -6.607178      61.09093 
1 1 1 10  15  6  o 145.1582 48.99114 2.459036       4.937221  7.534038       5.586601  -44.66522      81.10583 
1 1 1 10  15  7  o 136.5556 48.44757 2.628825       5.007238  5.292580       5.291915  -22.61737      79.99507 
1 1 1 10  15  8  o 210.9590 42.59445 9.442012       5.134918  11.83890       5.667993  -22.41507      80.98491 
1 1 1 10  15  9  o 184.3862 47.04110 3.876676       5.204628  13.14144       5.612762  -83.81076      79.76443 
1 1 1 10  15  10 o 377.4185 26.80699 27.15754       6.043179  37.44956       6.446810  -62.35339      55.07582 
1 1 1 10  15  11 o 131.2947 48.93248 1.361531       5.244112  5.342535       5.437013  -29.97943      80.30933 
1 1 1 10  15  12 o 96.01006 43.34631 -1.153009      5.419688  -2.157714      5.553806  3.308105       73.57418 
1 1 1 10  15  13 o 260.8930 38.07121 20.41287       5.926488  11.18504       6.034686  81.24289       78.01270 
1 1 1 10  15  14 o 472.6033 24.55178 54.95847       7.084215  44.99377       7.265331  49.62088       50.34486 
1 1 1 10  15  15 o 150.3224 57.13937 2.993798       7.190013  6.159303       7.538578  -20.38213      93.55579 
1 1 1 10  15  16 o 252.7106 52.69683 17.16357       7.883412  14.27454       8.107129  23.05200       99.66608 
1 1 1 10  15  17 o 89.65862 42.70260 -0.6238136     5.904421  -12.63279      7.449007  23.09830       74.07662 
1 1 1 10  15  18 o 848.9070 32.73649 175.0785       17.24550  155.0042       17.16787  55.00183       67.25551 
1 1 1 10  15  19 o 132.3300 60.59845 3.540386       11.40867  -7.423005      11.01428  34.12895       101.0435 
1 1 1 10  15  20 o 331.1920 40.44167 0.000000       0.000000  26.73741       5.753319  ?              ?        
1 1 1 10  15  21 o 98.20979 42.73178 3.581542       5.504157  -1.665137      4.406540  38.05420       72.00011 
1 1 1 10  15  22 o 122.9029 43.82203 6.541511       4.297164  1.278245       4.134051  42.81468       70.70102 
1 1 1 10  15  23 o 180.1800 37.15411 8.456780       4.052372  8.598885       3.978048  -2.176086      71.34230 
1 1 1 10  15  24 o 81.80810 34.52319 2.634447       3.079489  -0.6431277     2.927842  25.20164       56.28838 
1 1 1 10  15  25 o 72.19543 32.42825 -1.299071      3.370369  0.6474555      2.769073  -5.103790      53.32635 
1 1 1 10  15  26 o 97.42413 37.59604 3.098969       3.602214  2.307574       2.935039  7.963089       60.28984 
1 1 1 10  15  27 o 65.51780 29.66329 -3.214746      2.668883  2.740969       2.518448  -35.46755      48.78901 
1 1 1 10  15  28 o 164.7365 25.96015 8.250622       2.429820  5.948484       2.725905  37.80779       54.46163 
1 1 1 10  15  29 o 63.19232 28.67360 -0.9408152     2.098683  2.234625       3.017514  -26.14056      48.51314 
1 1 1 10  16  0  o 177.2653 53.17047 10.78957       6.333452  4.809834       6.285904  46.31039       88.99058 
1 1 1 10  16  1  o 119.6881 49.73491 1.791934       6.111975  0.8841602      6.055462  5.565460       82.22510 
1 1 1 10  16  2  o 223.2533 49.56303 11.77564       6.510541  12.39123       6.874093  -4.960770      91.87747 
1 1 1 10  16  3  f 89.84011 42.33761 -7.229718      5.775722  -0.6898875     6.517575  -33.76881      74.80888 
1 1 1 10  16  4  o 141.3275 52.22928 7.640632       5.840326  -0.4722801     6.301505  50.61105       84.19830 
1 1 1 10  16  5  o 190.7011 51.20074 0.6788666      5.832738  19.21482       6.606706  -148.8587      79.29012 
1 1 1 10  16  6  o 418.4560 27.49965 40.65263       6.986008  37.96070       7.217055  15.70795       56.23465 
1 1 1 10  16  7  o 118.3539 48.29664 -2.636960      5.436907  6.353783       5.781717  -58.70898      79.22733 
1 1 1 10  16  8  f 235.0237 46.18463 4.771193       6.107695  24.24334       6.961896  -157.7671      80.48685 
1 1 1 10  16  9  o 325.6605 34.91639 23.84707       6.814737  24.89253       7.080062  -6.449402      72.98349 
1 1 1 10  16  10 o 165.4478 56.31160 6.284264       6.737109  6.425717       7.104130  -2.685730      93.28568 
1 1 1 10  16  11 o 155.4748 55.99426 6.885080       6.766186  3.519390       7.036684  20.03770       91.77857 
1 1 1 10  16  12 o 404.8159 30.44758 33.81049       7.275147  41.30353       7.949230  -40.73514      62.65867 
1 1 1 10  16  13 o 219.1272 51.77078 10.88700       6.690166  13.02483       7.185482  -17.11873      94.21689 
1 1 1 10  16  14 o 155.0928 56.98224 6.151326       6.912986  3.953357       7.509589  10.06830       93.34825 
1 1 1 10  16  15 o 338.5118 38.14915 34.18682       7.638306  18.07547       8.127316  117.0748       83.95467 
1 1 1 10  16  16 o 318.2343 40.02049 18.38683       7.419538  30.10526       8.073957  -83.61389      84.15433 
1 1 1 10  16  17 o 639.7141 24.94504 95.09310       9.916569  89.20702       9.843664  21.07672       50.69593 
1 1 1 10  16  18 o 123.2046 55.11262 -9.138324      8.540038  8.188901       8.747732  -67.37246      92.11277 
1 1 1 10  16  19 o 98.13540 46.93700 -8.520564      7.996238  -2.920996      8.171378  -17.17721      80.67991 
1 1 1 10  16  20 o 137.9760 61.04885 6.025700       10.14964  -2.439225      10.48312  25.81970       98.37008 
1 1 1 10  16  21 o 271.6138 55.19972 21.63042       8.376389  20.15958       9.743946  23.68439       107.2824 
1 1 1 10  16  22 o 133.7744 49.18056 2.705822       5.074963  7.733965       5.697740  -34.40550      79.39182 
1 1 1 10  16  23 o 391.2649 23.89970 31.78925       5.584618  42.01546       5.981867  -57.83344      50.70362 
1 1 1 10  16  24 o 82.81089 37.10226 -1.104073      3.837850  1.578131       4.036509  -15.35492      60.69866 
1 1 1 10  16  25 o 88.48683 36.75306 3.642267       3.858300  0.4501399      2.958242  26.35366       60.13520 
1 1 1 10  16  26 o 82.53755 35.54299 2.084323       3.991418  0.8367105      2.871449  13.16282       57.62337 
1 1 1 10  16  27 o 68.79829 31.18094 0.9679136      3.117652  -0.5564870     2.675247  12.06577       50.95261 
1 1 1 10  16  28 f 59.55285 27.96209 -0.6371079     2.566348  -0.7155018     2.685349  -0.7260971     45.86775 
1 1 1 10  16  29 o 62.65918 29.21575 -0.3999125     2.319767  0.1121604      3.712862  -11.62816      48.31899 
1 1 1 10  17  0  o 497.6108 26.91516 58.33047       8.329113  54.43949       8.226254  17.81360       55.15871 
1 1 1 10  17  1  o 101.4681 45.77190 -1.671407      6.053349  -1.220132      6.151196  -2.949760      77.12006 
1 1 1 10  17  2  o 114.6178 48.98902 3.367695       5.998064  -2.539308      6.369699  27.11768       80.92819 
1 1 1 10  17  3  o 166.3576 53.77448 8.734316       6.114069  4.207778       6.559514  31.30692       88.98004 
1 1 1 10  17  4  o 90.70969 42.58326 0.8194310      5.835345  -9.623152      6.358785  34.54359       73.80172 
1 1 1 10  17  5  o 87.52032 43.87103 -19.33746      7.237691  0.000000       0.000000  ?              ?        
1 1 1 10  17  6  o 173.3870 57.33414 10.15088       6.795492  3.110170       7.617013  43.47227       93.80951 
1 1 1 10  17  7  o 175.9966 58.69273 9.997851       7.205964  3.984308       7.858867  36.51123       96.43098 
1 1 1 10  17  8  o 165.7278 57.80117 11.24643       7.005299  0.1618279      7.633565  66.80536       92.39674 
1 1 1 10  17  9  o 275.5054 47.05434 19.22981       7.498734  16.81046       8.035331  21.18146       94.24211 
1 1 1 10  17  10 o 162.4464 59.27924 9.859749       7.763684  1.489303       7.764424  49.75348       96.24809 
1 1 1 10  17  11 f 215.9688 59.02065 10.91467       7.849626  12.63208       8.444230  -12.79593      102.8017 
1 1 1 10  17  12 o 254.7490 53.56387 19.31462       7.874852  12.03664       8.558788  56.44725       99.73066 
1 1 1 10  17  13 o 196.5321 61.09216 7.414059       7.822540  12.44066       8.716340  -35.29977      102.7660 
1 1 1 10  17  14 f 101.0149 47.63700 -5.914554      7.487368  -4.138419      8.073201  -11.17866      82.34451 
1 1 1 10  17  15 o 210.0206 70.09134 15.59947       9.483794  4.350814       12.58626  49.60291       113.2969 
1 1 1 10  17  16 o 117.2673 56.44027 0.000000       0.000000  -9.531340      8.559682  ?              ?        
1 1 1 10  17  17 o 127.7526 54.85050 1.298316       7.765624  1.301466       7.847708  -0.5530853     90.00433 
1 1 1 10  17  18 o 176.7715 59.36176 10.98690       7.582980  5.720065       7.784442  32.26411       96.96531 
1 1 1 10  17  19 o 323.2854 38.24511 24.24078       7.388694  27.01184       7.661411  -18.21762      82.84839 
1 1 1 10  17  20 o 126.1569 55.90089 4.390183       8.866194  -0.9127088     8.500153  20.01778       90.20992 
1 1 1 10  17  21 o 200.3569 63.58313 13.24366       9.034318  13.70293       8.720251  -3.747437      103.6763 
1 1 1 10  17  22 o 145.3156 56.03054 6.895337       6.044240  6.980671       9.195096  -0.4638367     88.51963 
1 1 1 10  17  23 o 119.9086 51.99312 3.727125       6.686165  4.661924       7.728009  -4.885147      80.58110 
1 1 1 10  17  24 o 108.8927 45.33268 -1.248208      6.165309  5.492800       4.403500  -26.30024      70.20662 
1 1 1 10  17  25 o 111.8171 46.81694 0.000000       0.000000  4.247767       3.854306  ?              ?        
1 1 1 10  17  26 o 81.18195 37.29784 4.224694       6.020174  -0.6336588     3.514774  26.07321       62.02326 
1 1 1 10  17  27 o 90.76351 37.34887 0.7710230      3.981194  3.430780       2.995792  -13.49871      57.88209 
1 1 1 10  17  28 o 71.36515 31.65396 1.539408       2.935212  0.2918977      2.663012  8.656448       50.29476 
1 1 1 10  17  29 o 81.23483 34.15349 2.817621       2.715831  1.128964       3.176975  9.541924       52.57382 
1 1 1 10  18  0  o 343.5503 35.45197 26.05891       7.297712  30.37887       7.605494  -28.04166      75.89298 
1 1 1 10  18  1  o 281.1160 41.52921 17.23159       6.890767  21.48203       7.165734  -33.15549      86.69636 
1 1 1 10  18  2  f 251.7355 43.62466 13.87077       6.432365  17.31770       6.707402  -28.43527      87.41853 
1 1 1 10  18  3  o 321.6058 38.46230 33.39340       7.530899  15.52036       7.511560  132.2531       83.24019 
1 1 1 10  18  4  o 198.9620 57.00985 4.685822       7.004261  17.01134       7.865354  -89.91742      94.77834 
1 1 1 10  18  5  o 122.9463 53.27112 -2.525096      7.160548  3.863721       7.882185  -34.56394      88.88941 
1 1 1 10  18  6  o 301.0707 45.61799 26.05451       7.874231  16.38523       8.692376  76.87125       94.08195 
1 1 1 10  18  7  o 738.7913 25.39383 115.5307       10.97151  131.2164       12.39990  -44.73682      51.55636 
1 1 1 10  18  8  o 677.3246 38.36032 0.000000       0.000000  105.7190       11.35015  ?              ?        
1 1 1 10  18  9  o 463.8676 51.32016 0.000000       0.000000  51.65760       10.26756  ?              ?        
1 1 1 10  18  10 x ?        ?        -22.42160      8.557042  -46.61606      8.641724  ?              ?        
1 1 1 10  18  11 x ?        ?        0.000000       0.000000  -51.53904      9.868394  ?              ?        
1 1 1 10  18  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  18  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  18  14 f 333.3315 48.52461 26.71610       9.551875  27.71541       9.938024  -4.381866      102.0495 
1 1 1 10  18  15 o 597.8915 41.75172 85.32113       10.88079  0.000000       0.000000  ?              ?        
1 1 1 10  18  16 o 318.5170 49.64423 30.24381       9.433209  20.90113       9.546184  67.78906       102.9603 
1 1 1 10  18  17 f 266.9666 54.13876 30.08243       8.588567  7.394930       8.730229  157.3480       94.16109 
1 1 1 10  18  18 o 294.7008 47.45794 21.81684       8.070944  23.38430       8.730146  -5.347290      99.41051 
1 1 1 10  18  19 o 144.2492 58.01470 -0.3020897     7.771784  11.38207       8.139482  -55.36057      92.32867 
1 1 1 10  18  20 o 157.8341 56.91452 5.444543       6.734761  10.45261       7.600927  -28.02182      91.35147 
1 1 1 10  18  21 o 179.7395 57.14683 14.23595       6.770814  6.322609       7.636722  50.59460       91.27077 
1 1 1 10  18  22 o 112.9650 53.27916 6.299694       10.00883  -3.345235      9.449831  21.60239       83.44127 
1 1 1 10  18  23 o 139.8858 64.74404 10.12301       9.390350  0.000000       0.000000  ?              ?        
1 1 1 10  18  24 f 109.0577 51.21120 2.862025       8.075890  2.914128       9.774302  -1.966797      77.83688 
1 1 1 10  18  25 o 89.46931 41.81185 -2.839063      10.61849  1.468956       4.402730  5.908081       66.61756 
1 1 1 10  18  26 o 82.96125 40.40658 0.000000       0.000000  -0.9018944     4.732359  ?              ?        
1 1 1 10  18  27 o 72.12698 33.90522 1.496946       4.897133  -0.7206783     3.308644  14.25459       54.91634 
1 1 1 10  18  28 o 76.72525 34.92498 -0.7951210     4.089301  2.624230       3.328383  -11.56650      53.96133 
1 1 1 10  18  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  19  0  o 153.3478 68.76224 5.273540       12.91656  2.834767       14.26563  3.038452       108.0510 
1 1 1 10  19  1  o 366.8195 67.41924 50.33738       14.56444  28.54197       14.99666  123.1119       131.8936 
1 1 1 10  19  2  o 179.7967 60.23975 1.979417       7.739882  16.55112       8.094125  -88.85683      95.77872 
1 1 1 10  19  3  o 283.4460 50.93829 16.12813       8.618258  25.26770       8.636066  -68.30852      100.8006 
1 1 1 10  19  4  f 153.8063 59.60067 0.3484136      8.047784  10.38002       8.177344  -52.38144      95.83678 
1 1 1 10  19  5  o 501.2546 30.98864 54.25012       9.396903  61.98835       9.792212  -34.21924      64.12173 
1 1 1 10  19  6  o 254.3215 54.11348 15.17807       8.241652  17.99166       8.307734  -21.08066      102.2097 
1 1 1 10  19  7  o 332.7479 43.68383 25.94722       8.774314  27.47664       8.824382  -10.67316      92.85987 
1 1 1 10  19  8  o 371.2887 41.33332 26.76621       9.369746  38.86430       9.347509  -79.49194      89.61189 
1 1 1 10  19  9  f 172.6137 62.48496 11.36679       8.860647  3.541181       8.366084  45.13017       101.5746 
1 1 1 10  19  10 o 287.5431 52.97752 24.61224       8.910876  16.68925       9.304832  59.85005       103.8694 
1 1 1 10  19  11 o 187.2198 63.99886 8.595233       9.095375  9.596470       8.775912  -5.019485      105.0574 
1 1 1 10  19  12 o 184.9007 65.87169 8.442100       9.454520  9.342736       9.582508  -5.030899      107.2309 
1 1 1 10  19  13 o 121.5890 55.14927 5.640377       9.012798  -8.491996      8.992773  49.16347       92.24631 
1 1 1 10  19  14 o 156.0026 65.94122 0.9153219      14.49672  5.441980       9.190357  4.997498       107.5050 
1 1 1 10  19  15 o 191.7253 74.66385 10.67221       9.036192  0.000000       0.000000  ?              ?        
1 1 1 10  19  16 o 149.5912 60.44776 6.535614       8.412393  3.368183       8.963090  12.14781       96.77261 
1 1 1 10  19  17 o 142.4460 58.85117 11.48715       8.190518  -3.501713      8.736248  61.98145       93.08872 
1 1 1 10  19  18 o 245.8915 71.59244 20.79605       8.188041  0.000000       0.000000  ?              ?        
1 1 1 10  19  19 o 111.7521 52.26312 0.3382883      11.06769  -2.093702      7.795467  19.59140       86.19178 
1 1 1 10  19  20 o 95.19026 45.32951 -1.997828      7.008799  -3.701829      7.786947  0.2779770      74.53877 
1 1 1 10  19  21 o 109.1192 49.76633 -3.947168      6.794078  10.49866       8.364613  -49.36192      81.14719 
1 1 1 10  19  22 o 111.6989 49.19983 -0.2458468     6.229788  7.558861       7.109483  -30.37087      77.54672 
1 1 1 10  19  23 o 135.0696 53.61458 6.786753       6.689444  8.003471       6.710175  -5.202530      81.23050 
1 1 1 10  19  24 o 102.9732 45.62202 3.697353       5.877961  2.920655       5.682500  3.007057       69.73792 
1 1 1 10  19  25 o 107.4497 51.65662 9.024701       9.768904  3.900060       10.40903  7.450150       74.17773 
1 1 1 10  19  26 o 93.65366 47.20525 0.5967227      8.997734  0.000000       0.000000  ?              ?        
1 1 1 10  19  27 o 80.43244 41.05980 -4.768495      8.459485  0.000000       0.000000  ?              ?        
1 1 1 10  19  28 o 63.13647 31.51894 -6.189701      6.297309  -1.983040      4.324487  0.5459900      50.44159 
1 1 1 10  20  0  o 133.1474 57.99489 0.8171825      8.966206  5.292694       8.995526  -15.82503      92.42487 
1 1 1 10  20  1  o 109.2095 52.02315 -10.43009      9.799643  1.585543       9.643270  -28.24155      86.91598 
1 1 1 10  20  2  o 151.7183 68.87054 7.371566       13.96676  0.6158194      14.18470  14.65131       107.7527 
1 1 1 10  20  3  o 143.2498 66.35921 -3.609031      13.94239  4.397505       14.05132  -17.49622      106.1313 
1 1 1 10  20  4  o 111.9827 51.56178 4.115320       8.471272  -7.189541      8.076018  40.11085       86.44363 
1 1 1 10  20  5  o 144.8100 60.71926 -1.424272      10.90591  6.760733       8.090376  -19.35011      97.08984 
1 1 1 10  20  6  o 142.2944 61.12660 5.046432       11.67665  1.710767       8.481501  25.13451       100.4491 
1 1 1 10  20  7  o 191.7011 63.45707 10.05100       9.075500  10.63669       8.518850  -3.145737      104.2751 
1 1 1 10  20  8  o 215.3250 65.10967 14.74348       9.397570  11.78517       9.469951  17.73642       109.2732 
1 1 1 10  20  9  o 162.9153 63.26879 6.758304       9.423850  6.100299       8.910248  4.706436       101.8611 
1 1 1 10  20  10 f 114.2458 53.30512 -3.221009      9.466041  -3.647902      9.118387  3.506577       89.29130 
1 1 1 10  20  11 o 340.6184 49.10600 38.79128       10.61811  21.92276       9.609983  105.8940       103.3118 
1 1 1 10  20  12 o 130.1941 57.82140 0.8167512      9.444320  0.5335741      9.232380  2.094635       94.37116 
1 1 1 10  20  13 o 333.4410 50.75160 31.60851       9.972569  26.13002       10.37276  42.31650       107.8744 
1 1 1 10  20  14 o 182.6523 71.73150 7.803520       15.79047  11.03619       9.917632  -5.476425      113.6255 
1 1 1 10  20  15 o 185.9302 74.61604 11.52257       9.276853  0.000000       0.000000  ?              ?        
1 1 1 10  20  16 o 125.4720 55.83939 2.575361       8.489257  0.3788357      9.043128  5.058075       89.72076 
1 1 1 10  20  17 o 134.5386 62.08006 0.000000       0.000000  1.695162       8.538112  ?              ?        
1 1 1 10  20  18 o 160.4807 63.84081 9.105343       11.84002  8.874535       8.182010  -0.4002380E-01 99.27232 
1 1 1 10  20  19 o 112.3485 50.94363 1.887403       7.341668  0.9527498      8.059271  0.4816132      80.76594 
1 1 1 10  20  20 o 116.5320 52.17901 6.004479       7.418736  0.2079782      8.169324  16.37849       80.64118 
1 1 1 10  20  21 o 99.08549 46.46582 -1.449316      7.006188  1.900820       7.425209  -10.43247      73.73663 
1 1 1 10  20  22 o 115.3681 50.18874 5.230509       6.320414  3.351705       7.177903  5.966583       76.57515 
1 1 1 10  20  23 o 111.9899 48.64122 4.601683       6.068038  4.978060       6.516168  -1.258011      73.32912 
1 1 1 10  20  24 o 91.68088 42.53054 0.3355290      5.870459  3.449902       5.693871  -8.711929      65.13760 
1 1 1 10  20  25 o 67.15276 33.33563 -4.682285      7.602466  -3.697467      4.331272  11.98663       55.41291 
1 1 1 10  20  26 o 74.55453 36.23006 -2.806736      6.381095  0.6735364      4.627977  -2.473389      56.30022 
1 1 1 10  20  27 o 74.87770 36.71925 6.083616       10.22092  -1.438272      4.487026  15.57755       58.04470 
1 1 1 10  20  28 o 82.06362 42.00727 0.000000       0.000000  3.651285       9.421998  ?              ?        
1 1 1 10  21  0  o 133.9736 60.39112 6.438331       10.10077  -0.1008359     11.18043  14.86720       94.23951 
1 1 1 10  21  1  o 138.7838 62.18145 4.605170       11.07067  3.215126       11.02712  3.793396       97.17840 
1 1 1 10  21  2  f 163.4804 67.44751 7.275461       11.15653  9.835724       11.00178  -8.490494      104.4437 
1 1 1 10  21  3  o 162.3936 66.46347 8.873913       10.87480  7.452721       10.43184  5.416016       103.5484 
1 1 1 10  21  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  21  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  21  6  o 110.9020 53.31590 -12.64514      11.90403  -1.116527      9.847768  -13.61624      88.59335 
1 1 1 10  21  7  o 306.6608 54.02519 33.27718       10.38581  19.57463       9.479712  85.25546       108.7942 
1 1 1 10  21  8  o 118.0880 54.60591 2.977306       10.00382  -5.196761      8.919547  29.36494       90.58722 
1 1 1 10  21  9  o 153.3197 62.57375 2.637809       9.897882  8.462357       8.977550  -21.05405      99.07376 
1 1 1 10  21  10 o 173.1598 64.48856 5.022500       9.398451  12.60066       9.143107  -35.62260      102.2598 
1 1 1 10  21  11 o 172.4167 65.66101 16.40465       9.625382  1.169351       9.833737  67.50330       102.8334 
1 1 1 10  21  12 o 114.6557 53.92283 -8.029588      10.00672  1.963102       9.657471  -23.83991      89.00268 
1 1 1 10  21  13 o 99.95973 48.52067 -7.433650      9.440636  -6.422187      9.421539  -2.067238      81.78512 
1 1 1 10  21  14 o 139.9063 65.39808 0.000000       0.000000  1.097746       9.959233  ?              ?        
1 1 1 10  21  15 o 147.6374 64.16712 8.416535       9.138587  -0.8082321     14.55011  14.83434       99.46868 
1 1 1 10  21  16 o 128.6715 56.86853 8.211087       8.882906  -1.886210      8.966387  32.54215       89.91196 
1 1 1 10  21  17 o 109.9192 51.89301 0.5416499      9.510894  -2.476972      9.026717  8.803955       83.22353 
1 1 1 10  21  18 o 127.1638 56.15765 8.544084       8.383231  0.5643834      9.024403  23.20786       86.19385 
1 1 1 10  21  19 o 116.1117 52.89191 8.656157       8.052370  -2.996774      8.778913  30.26552       81.68116 
1 1 1 10  21  20 o 132.0687 56.71804 9.529051       7.507246  2.841589       9.562846  20.85258       84.81601 
1 1 1 10  21  21 o 101.6440 47.54107 -0.1836919E-01 7.004835  3.417083       8.020720  -10.72417      73.97810 
1 1 1 10  21  22 o 96.77530 45.57767 -1.265470      6.487681  5.678795       7.830115  -18.88758      70.95568 
1 1 1 10  21  23 o 88.85258 42.24837 -0.5289986     6.154900  2.643431       6.568478  -8.357071      65.14561 
1 1 1 10  21  24 o 80.69527 39.21157 -2.657582      6.447391  1.552927       5.985015  -7.398857      60.74780 
1 1 1 10  21  25 o 126.8009 50.44579 7.896721       8.438351  9.478004       4.847169  -21.71054      71.33685 
1 1 1 10  21  26 o 68.14403 33.92445 1.630822       6.866192  -4.666152      4.940167  14.78031       54.29963 
1 1 1 10  21  27 o 74.13240 36.64808 -10.66418      10.89509  2.500629       4.778790  -6.124191      54.88050 
1 1 1 10  22  0  o 113.4856 54.54897 0.6334583      11.14747  -5.756915      11.29866  11.28921       87.22860 
1 1 1 10  22  1  o 121.2822 57.19402 3.377326       11.02821  -2.341787      11.36076  10.78085       89.74079 
1 1 1 10  22  2  o 136.8093 61.35458 10.26402       10.93666  -0.5267125     10.63872  28.62675       95.31824 
1 1 1 10  22  3  o 114.2128 54.53560 3.435349       11.33266  -7.410384      10.36153  25.45036       88.67459 
1 1 1 10  22  4  o 100.9596 49.56032 -9.379115      11.39839  -7.178540      10.06541  2.232582       82.51766 
1 1 1 10  22  5  o 116.3440 56.32029 4.791843       11.85981  -17.35443      13.22168  33.26247       92.14537 
1 1 1 10  22  6  o 115.6666 55.36167 -2.769101      13.25286  -3.527301      9.998509  12.55959       90.24625 
1 1 1 10  22  7  o 197.7422 80.30595 18.66196       15.64071  18.78567       15.16661  -1.318588      118.2929 
1 1 1 10  22  8  o 138.3588 65.96473 -0.2543680E-02 15.75322  2.189395       15.64157  -3.149048      102.2387 
1 1 1 10  22  9  o 252.6562 66.17258 22.01784       10.59007  20.94405       10.39717  4.359116       115.1777 
1 1 1 10  22  10 o 150.1107 63.79148 5.224575       10.29517  8.139260       10.43809  -9.587112      98.95491 
1 1 1 10  22  11 o 138.8595 62.52281 2.101972       12.32488  5.235369       10.53380  -4.404556      97.47948 
1 1 1 10  22  12 o 128.4141 57.96110 4.899202       9.647557  -0.1068401     9.961628  13.24428       91.42287 
1 1 1 10  22  13 o 133.2018 59.78041 1.328389       9.942920  6.498993       10.60706  -15.41614      93.46062 
1 1 1 10  22  14 o 158.4359 70.37478 0.000000       0.000000  10.61605       9.783497  ?              ?        
1 1 1 10  22  15 o 146.9994 64.34695 10.28400       9.697534  4.829185       13.63222  13.08177       96.35388 
1 1 1 10  22  16 o 106.4337 51.32097 -2.160509      10.13013  -1.513959      10.10817  -1.121201      81.22887 
1 1 1 10  22  17 o 130.2750 58.29202 8.775772       9.557633  3.419002       9.797360  13.58285       87.83405 
1 1 1 10  22  18 o 124.2909 55.62481 1.908018       8.302321  9.414955       9.435007  -21.02492      85.01115 
1 1 1 10  22  19 o 145.2081 60.24897 10.40715       8.423517  9.420343       9.488571  5.396439       88.76847 
1 1 1 10  22  20 o 89.80066 43.96987 -1.755903      7.927563  -3.745622      8.580107  1.548561       69.59772 
1 1 1 10  22  21 o 84.17268 41.27790 -2.065711      6.669753  -3.076834      8.273230  -2.961914      65.41124 
1 1 1 10  22  22 o 106.2580 49.16350 2.848816       7.073844  9.042583       8.389258  -12.70705      72.30843 
1 1 1 10  22  23 o 77.59297 38.13089 -1.659557      6.449278  -1.407744      6.294390  -0.5129242E-01 59.49841 
1 1 1 10  22  24 o 68.38560 34.36814 -4.093631      6.820585  -6.207798      6.196729  4.981354       55.21198 
1 1 1 10  22  25 o 82.74254 39.97261 8.103772       8.690630  0.4769984      5.087845  12.14213       60.02491 
1 1 1 10  22  26 o 70.02182 34.93471 3.128048       7.365403  -3.825753      5.391005  12.35505       54.20504 
1 1 1 10  23  0  o 104.1894 50.55935 -4.152727      11.24736  -2.406798      9.432588  2.379616       80.80219 
1 1 1 10  23  1  o 140.9780 61.62349 19.29748       11.36245  -0.8189442     9.360688  56.59497       96.23903 
1 1 1 10  23  2  o 111.7099 53.15950 -3.468971      11.59112  0.6855284      9.062771  -1.101517      84.27839 
1 1 1 10  23  3  o 145.2124 60.80110 3.921698       9.678869  11.08330       8.775127  -23.98007      92.25157 
1 1 1 10  23  4  o 124.8079 58.79710 -0.2880818     9.715260  7.986906       16.14787  -22.59573      93.24703 
1 1 1 10  23  5  o 115.2875 54.36264 -0.4059850     10.31129  0.1216174      9.913432  -0.3562927E-01 85.98425 
1 1 1 10  23  6  o 126.2617 58.96798 -5.370024      12.92990  6.659568       10.32424  -18.93175      91.59284 
1 1 1 10  23  7  o 147.3766 66.95610 18.08081       13.71795  -2.384465      12.98689  43.04262       102.6463 
1 1 1 10  23  8  o 137.5891 63.57803 14.79602       12.91212  -5.566184      12.55518  42.34599       99.03236 
1 1 1 10  23  9  o 168.1111 80.92212 0.000000       0.000000  19.03014       17.60991  ?              ?        
1 1 1 10  23  10 o 147.5128 69.40793 11.01689       16.12335  4.273941       16.51525  9.638611       103.3456 
1 1 1 10  23  11 o 134.8483 64.36067 -8.910100      16.35902  12.83470       13.97584  -28.54311      98.00467 
1 1 1 10  23  12 o 110.5605 53.76824 -9.746881      14.51689  -0.1188635     10.10553  -2.897079      85.35847 
1 1 1 10  23  13 f 135.9736 60.43979 2.859428       9.812464  10.40610       10.69041  -20.05920      92.11131 
1 1 1 10  23  14 o 128.5796 62.11426 0.000000       0.000000  3.371098       10.60001  ?              ?        
1 1 1 10  23  15 o 94.15664 46.75211 -3.245435      10.31044  -12.44062      10.68568  11.52657       76.25452 
1 1 1 10  23  16 o 108.1455 51.88533 -5.788077      10.02468  5.665068       10.06778  -21.17381      81.37487 
1 1 1 10  23  17 o 98.82184 48.40165 -4.668585      8.760148  0.5886628      11.98226  -14.98566      77.15231 
1 1 1 10  23  18 f 121.4480 55.49278 6.575029       9.029434  6.129017       9.661382  1.160545       81.94140 
1 1 1 10  23  19 o 126.2753 56.45934 5.417722       8.174347  13.83760       10.30839  -15.60076      82.27582 
1 1 1 10  23  20 o 104.1045 48.89851 0.1939514      7.613673  9.046864       8.539045  -18.47074      73.26069 
1 1 1 10  23  21 o 97.03996 46.15031 2.415188       7.112784  4.977445       8.169230  -5.112015      68.37073 
1 1 1 10  23  22 o 80.91671 39.83722 -3.242584      6.797528  1.781756       7.350995  -9.105064      61.53300 
1 1 1 10  23  23 f 111.2146 49.55437 9.210352       6.903497  7.102499       6.926679  5.266365       69.61826 
1 1 1 10  23  24 o 69.97410 35.23853 4.123893       7.493011  -9.151158      6.601886  17.04987       55.56627 
1 1 1 10  23  25 o 85.96815 41.39270 2.721824       8.841886  5.068511       5.410042  -5.289581      59.13981 
1 1 1 10  23  26 o 77.39605 39.89985 3.112501       10.47562  0.000000       0.000000  ?              ?        
1 1 1 10  24  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  24  1  o 126.2634 57.95990 14.63006       11.76944  -0.9838104     9.323440  35.70352       89.87631 
1 1 1 10  24  2  o 106.3387 51.24667 4.027869       11.56183  -4.140124      9.018349  19.99491       81.56377 
1 1 1 10  24  3  o 161.7148 71.53606 17.71958       11.78448  11.08401       18.94729  21.09268       101.2030 
1 1 1 10  24  4  o 126.1581 59.11026 4.710823       13.28462  3.411277       10.45602  5.003632       90.03423 
1 1 1 10  24  5  o 119.5535 56.99965 -4.057466      13.45070  5.981461       10.52302  -12.32661      86.99644 
1 1 1 10  24  6  o 146.5398 65.27370 3.379026       13.35978  15.11331       10.96752  -26.20114      95.47868 
1 1 1 10  24  7  o 111.4982 53.99368 4.025680       12.98695  -4.456188      10.43080  17.94247       85.14259 
1 1 1 10  24  8  o 118.8809 56.00312 4.763259       10.68265  -0.3525990     10.67562  10.06126       86.25848 
1 1 1 10  24  9  o 121.5480 58.41676 3.663369       12.17589  -0.2262961     13.67562  4.019051       88.98462 
1 1 1 10  24  10 o 145.8484 66.97509 8.404190       14.21055  13.09852       13.45651  -8.390121      97.28493 
1 1 1 10  24  11 o 122.9631 59.82323 10.00429       14.62096  -5.362264      14.49648  18.69656       90.68129 
1 1 1 10  24  12 o 115.2410 56.65722 -9.031119      13.82122  8.126071       14.42870  -20.31131      87.33932 
1 1 1 10  24  13 o 99.60245 50.06876 -16.96592      14.19278  -3.186188      13.45536  -11.04802      79.58685 
1 1 1 10  24  14 o 106.3111 54.14186 0.000000       0.000000  -12.99261      14.01444  ?              ?        
1 1 1 10  24  15 o 120.2347 57.19302 5.767451       10.52322  5.384014       13.27780  0.1912079      84.41051 
1 1 1 10  24  16 o 105.4339 50.46712 -2.312726      9.055583  6.987588       9.749576  -17.44109      77.18855 
1 1 1 10  24  17 o 103.7491 49.69553 1.308276       8.934539  3.810593       9.346637  -4.732651      74.85335 
1 1 1 10  24  18 o 108.5448 51.42458 15.99367       8.857886  -7.521584      9.686062  42.39284       77.46714 
1 1 1 10  24  19 o 80.75668 40.50487 -1.779575      8.665339  -7.978779      8.917167  6.565453       63.54683 
1 1 1 10  24  20 o 84.59138 41.73917 -6.058299      7.329743  7.014530       8.615748  -20.71662      64.93434 
1 1 1 10  24  21 o 87.87402 43.02564 3.366651       7.421631  -1.347274      8.443786  6.036407       64.38550 
1 1 1 10  24  22 o 92.53249 44.33169 5.583394       7.148517  3.726403       7.411360  3.310944       63.84859 
1 1 1 10  24  23 o 70.67491 35.53888 -4.824678      6.998776  -0.6364087     6.974988  -4.799919      54.66474 
1 1 1 10  24  24 o 74.69966 37.45375 -5.092815      8.064115  4.113558       7.011001  -8.857384      55.74268 
1 1 1 10  24  25 o 76.63206 39.75835 3.292562       14.18581  0.000000       0.000000  ?              ?        
1 1 1 10  25  2  o 114.1103 54.71281 1.036782       12.05128  3.254435       10.39528  -1.774673      82.94769 
1 1 1 10  25  3  o 117.7317 58.15918 0.3530775      13.28293  4.651492       19.34527  -6.865410      87.14861 
1 1 1 10  25  4  o 103.2151 50.86200 -10.98249      13.46317  1.880797       10.33522  -9.883789      79.16959 
1 1 1 10  25  5  o 130.0151 60.68823 4.891686       13.60501  10.32154       10.94249  -9.630951      88.40091 
1 1 1 10  25  6  o 128.1569 59.92293 -3.832414      13.25510  13.68905       10.79695  -29.18529      88.88107 
1 1 1 10  25  7  o 107.7684 53.59968 2.669895       14.08743  -10.10593      13.95392  12.97269       82.98078 
1 1 1 10  25  8  o 128.1621 58.30777 1.990323       9.699188  13.52123       10.68972  -24.78893      86.96973 
1 1 1 10  25  9  o 105.2336 51.64182 20.62456       14.06253  -11.84559      10.04005  47.03657       84.43357 
1 1 1 10  25  10 o 98.61626 49.04253 2.129137       14.10966  -7.600319      10.24615  16.71051       77.43884 
1 1 1 10  25  11 o 122.4647 59.54840 -5.982749      13.64164  24.26605       15.23322  -32.96124      88.31736 
1 1 1 10  25  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  25  13 o 112.7357 57.28606 2.498546       15.05176  0.000000       0.000000  ?              ?        
1 1 1 10  25  14 o 90.94210 46.28473 -15.52414      15.60784  -8.807630      13.28242  -0.8664322     72.16091 
1 1 1 10  25  15 o 91.83616 46.34849 -3.116855      12.17870  -8.653646      12.82850  3.582481       71.25882 
1 1 1 10  25  16 o 111.1302 54.31495 -4.136597      12.18650  21.13949       12.61795  -26.72096      78.77208 
1 1 1 10  25  17 o 81.35406 40.98412 -7.363459      9.203311  -3.954900      9.876925  -4.745193      64.16956 
1 1 1 10  25  18 o 86.16553 42.85122 -5.504762      8.746522  3.185466       9.173635  -11.09012      65.62592 
1 1 1 10  25  19 o 103.3784 49.00569 5.270367       7.972504  7.440557       8.949521  -2.873642      70.28884 
1 1 1 10  25  20 o 72.37238 36.65108 -10.29061      7.712241  -0.6537947     8.863271  -11.74077      58.01590 
1 1 1 10  25  21 o 84.30306 42.63582 4.504213       8.953129  -3.083572      15.16593  3.431183       61.52825 
1 1 1 10  25  22 o 74.30672 37.34982 -1.255470      7.377425  -1.231739      8.014495  -0.7138367     56.18597 
1 1 1 10  25  23 o 69.64491 35.29423 -1.591913      7.438042  -3.404348      8.026929  0.9229355      53.19131 
1 1 1 10  25  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  26  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  26  5  o 123.6266 57.44156 1.964676       10.50441  13.52997       10.71506  -21.01704      84.15799 
1 1 1 10  26  6  o 117.5308 55.35559 7.579705       10.15261  3.428903       10.71811  7.206726       81.66936 
1 1 1 10  26  7  o 97.86394 48.12608 -8.458641      9.950571  6.283682       10.48054  -21.30697      75.19769 
1 1 1 10  26  8  o 90.91409 45.26638 -13.44883      9.990733  5.108138       10.23634  -23.51269      72.18259 
1 1 1 10  26  9  o 110.5451 53.87959 -2.165102      14.70261  7.131688       10.33687  -8.834740      79.31981 
1 1 1 10  26  10 o 105.4277 52.79883 -1.356834      14.61689  0.7694419      14.71244  -1.728317      78.72011 
1 1 1 10  26  11 o 115.2255 56.97943 12.14477       15.39565  2.058130       14.63327  8.484085       82.19176 
1 1 1 10  26  12 o 118.2301 59.73126 0.000000       0.000000  13.48601       14.89386  ?              ?        
1 1 1 10  26  13 o 86.07951 43.84196 -3.308439      12.53067  -22.13348      13.56392  10.82687       69.15361 
1 1 1 10  26  14 o 97.90447 48.74209 0.4267581      10.09495  0.4673890      14.48176  -2.848854      72.85489 
1 1 1 10  26  15 o 103.0305 51.87365 4.866695       14.31527  4.464360       16.11071  0.2200623      74.67454 
1 1 1 10  26  16 o 92.40342 47.58607 -8.115922      14.35522  0.000000       0.000000  ?              ?        
1 1 1 10  26  17 f 76.95525 39.54335 -14.96722      9.246077  0.000000       0.000000  ?              ?        
1 1 1 10  26  18 f 93.53134 46.69010 4.241732       11.05582  7.568879       11.05656  -2.745094      66.30915 
1 1 1 10  26  19 o 89.41111 44.80595 -0.1313106     9.960855  12.19573       11.47992  -9.274033      64.08314 
1 1 1 10  26  20 o 80.01754 40.57198 -9.693185      9.827795  11.48590       10.80967  -15.23031      60.45378 
1 1 1 10  26  21 o 88.51235 43.60142 5.286994       7.846837  9.184791       9.335482  -2.707626      60.78406 
1 1 1 10  26  22 o 65.31074 33.36072 -8.242387      7.681451  -2.551142      8.368104  -5.070198      51.24512 
1 1 1 10  27  7  o 95.83378 49.17262 0.000000       0.000000  -12.95732      13.72072  ?              ?        
1 1 1 10  27  8  o 91.15589 45.91282 -4.495823      15.29051  -4.874008      10.09934  6.392761       70.71603 
1 1 1 10  27  9  o 100.6590 50.24752 7.630248       15.84699  -1.414868      11.03056  8.893097       74.60320 
1 1 1 10  27  10 o 97.84895 50.19901 0.000000       0.000000  -5.889028      14.24080  ?              ?        
1 1 1 10  27  11 o 95.21627 48.94483 0.000000       0.000000  -7.980712      14.32234  ?              ?        
1 1 1 10  27  12 o 119.1687 57.53217 17.72371       11.26359  8.024396       15.24476  14.38258       78.49309 
1 1 1 10  27  13 o 98.64760 49.26690 11.47824       11.13071  -6.741839      14.15203  14.05894       71.35270 
1 1 1 10  27  14 o 86.44448 43.73466 -4.843554      9.843019  2.375363       14.57863  -8.104836      65.95655 
1 1 1 10  27  15 o 94.20229 46.92421 5.042743       9.680037  3.130113       12.78779  1.763008       67.55822 
1 1 1 10  27  16 o 88.45580 44.49316 3.068715       9.146269  -0.6109890     14.75328  1.169426       64.80376 
1 1 1 10  27  17 o 85.51077 42.75621 3.622703       9.430773  0.4115487      9.452547  3.032433       62.47200 
1 1 1 10  27  18 o 81.45793 42.19641 -5.558584      14.52990  0.000000       0.000000  ?              ?        
1 1 1 10  27  19 o 86.06682 44.48146 15.62292       14.40294  0.000000       0.000000  ?              ?        
1 1 1 10  27  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  28  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  28  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  28  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  28  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 10  28  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  -22 0  o 81.31071 38.61358 4.113511       5.688999  -2.304161      4.935963  19.51878       60.90746 
1 1 1 11  -22 1  o 105.0801 45.57397 3.317546       6.254383  5.837036       4.961004  -10.14123      67.44278 
1 1 1 11  -22 2  o 86.23089 40.51588 0.5602484      6.279418  1.711381       4.990098  -0.4330750     62.30895 
1 1 1 11  -22 3  o 103.4277 46.96904 2.247397       12.63012  4.984816       4.982305  -5.257568      69.74200 
1 1 1 11  -21 0  o 95.59725 42.06295 1.952494       5.233799  3.193042       4.509442  -3.837563      64.68123 
1 1 1 11  -21 1  o 101.4286 44.44415 4.291231       5.685839  2.984340       5.056080  5.269630       67.62385 
1 1 1 11  -21 2  f 73.24622 35.66301 -1.589256      5.899127  -2.901581      4.704316  9.057510       58.23347 
1 1 1 11  -21 3  o 81.29603 38.62188 -2.321319      6.097207  0.6398945      4.729782  -2.701134      61.29041 
1 1 1 11  -21 4  o 75.38153 36.50840 -0.1024233     6.097579  -3.331052      4.696945  15.10022       60.07281 
1 1 1 11  -21 5  o 97.09420 43.57746 5.881449       6.303719  0.5943068      4.872676  20.64790       68.18520 
1 1 1 11  -21 6  o 98.54654 45.94419 1.223156       6.995934  3.315292       6.765453  -4.992294      70.05916 
1 1 1 11  -20 0  o 75.14233 35.62817 -0.5265856     4.446729  -1.754017      4.462131  4.123978       57.92223 
1 1 1 11  -20 1  o 77.13926 37.17000 3.462452       5.823343  -5.907670      4.874927  31.89318       62.65936 
1 1 1 11  -20 2  o 108.7325 45.75407 1.887843       5.524644  5.457426       5.006815  -15.68967      70.34124 
1 1 1 11  -20 3  o 88.84920 40.90611 -3.122129      5.776882  2.937257       4.769083  -16.64551      64.88742 
1 1 1 11  -20 4  o 101.0301 44.43330 5.648949       6.400464  0.7852237      4.738120  22.89899       70.71165 
1 1 1 11  -20 5  o 88.80167 41.24929 0.3304008      6.159359  0.4775521      4.962012  4.097969       65.46649 
1 1 1 11  -20 6  o 75.17059 36.58792 -3.341355      6.335047  -2.912580      4.872982  7.119202       60.46373 
1 1 1 11  -20 7  o 86.10522 40.54139 3.492841       7.093382  -2.129402      4.751786  25.41844       66.99887 
1 1 1 11  -20 8  o 98.05647 43.10115 2.021312       5.434419  2.593015       4.755198  -0.6215515     67.17271 
1 1 1 11  -19 0  o 85.75719 39.00331 -0.9888337     4.449999  1.528964       4.637831  -11.97391      63.08232 
1 1 1 11  -19 1  o 113.1300 44.38976 1.403719       4.365257  6.703164       4.749031  -33.22126      70.23181 
1 1 1 11  -19 2  o 116.6279 46.78507 3.803081       5.234585  4.617708       5.080101  -4.197968      73.08506 
1 1 1 11  -19 3  o 82.21703 38.49936 -5.444862      5.201200  2.691278       4.674702  -25.91883      63.02659 
1 1 1 11  -19 4  o 84.89726 39.45157 -3.562544      5.518756  1.734297       4.614673  -13.63854      63.69190 
1 1 1 11  -19 5  o 97.83132 43.60410 1.791301       6.338989  1.535903       4.725901  6.785820       69.34319 
1 1 1 11  -19 6  o 68.62952 33.79566 -5.577878      5.773831  -4.578108      4.601763  6.530670       57.73734 
1 1 1 11  -19 7  o 126.2620 49.75414 2.308861       6.792676  7.343837       5.049655  -24.08292      76.18442 
1 1 1 11  -19 8  o 88.93347 41.13616 -3.487362      6.607945  1.914528       4.612412  -8.019722      65.60248 
1 1 1 11  -19 9  o 107.6864 48.11715 0.000000       0.000000  2.907804       4.644145  ?              ?        
1 1 1 11  -19 10 o 108.5760 46.53833 2.106001       5.111118  5.437428       6.268337  -15.82230      72.80759 
1 1 1 11  -18 0  o 97.27895 45.04316 -3.307660      6.177620  3.172490       6.733942  -24.27612      73.47495 
1 1 1 11  -18 1  o 93.21581 43.77491 -2.009777      6.443985  -0.7588763     6.425906  -3.771317      71.38953 
1 1 1 11  -18 2  o 104.8992 47.18264 5.022645       6.572775  -2.426965      6.296520  29.00904       75.95026 
1 1 1 11  -18 3  o 154.5392 55.39670 10.30416       6.934079  6.458623       6.565203  20.32509       87.42564 
1 1 1 11  -18 4  o 131.7055 55.41224 -3.164191      8.586416  11.41863       7.031544  -51.89632      84.58624 
1 1 1 11  -18 5  o 102.8136 47.44315 -0.9108140     8.703652  1.067274       6.085516  4.238220       76.07652 
1 1 1 11  -18 6  o 100.3311 47.61124 2.270784       12.83956  -1.887881      6.288964  26.62856       79.82832 
1 1 1 11  -18 7  o 96.84528 43.28357 4.961050       6.146070  -1.188145      4.754046  31.81238       70.96389 
1 1 1 11  -18 8  o 85.03133 40.64752 -0.2257691     11.54812  -2.740261      4.600291  34.30006       72.81641 
1 1 1 11  -18 9  o 93.79485 43.71708 0.000000       0.000000  -0.3860582     4.398530  ?              ?        
1 1 1 11  -18 10 o 110.9660 44.17369 6.410621       5.017000  1.550372       4.209741  30.58160       70.51232 
1 1 1 11  -18 11 o 81.64903 37.89282 -3.201472      5.024253  1.162064       4.260883  -11.66921      61.70086 
1 1 1 11  -18 12 o 119.7327 56.82524 3.924439       8.050323  0.000000       0.000000  ?              ?        
1 1 1 11  -17 0  o 111.5357 47.84833 0.8118047      5.660125  4.039228       6.245666  -17.35113      76.75787 
1 1 1 11  -17 1  o 104.9438 46.56244 -1.748981      5.900957  4.250953       6.189317  -26.51365      75.35785 
1 1 1 11  -17 2  o 99.37683 44.89508 1.436771       5.986970  -0.8528413     5.808169  10.10461       72.87581 
1 1 1 11  -17 3  o 191.0416 54.59290 10.43929       6.634002  12.89404       6.962767  -14.99101      92.58103 
1 1 1 11  -17 4  o 103.2483 46.98248 6.039626       6.452838  -6.356034      6.756774  43.72182       76.65424 
1 1 1 11  -17 5  o 120.3986 51.43674 -0.5558714     6.408028  7.717540       7.280234  -38.54999      82.64537 
1 1 1 11  -17 6  o 112.7638 49.65854 0.7484066      6.846201  3.039417       6.652148  -8.135536      79.13974 
1 1 1 11  -17 7  f 109.5039 45.80004 3.353292       5.475667  1.856096       4.976596  10.01025       73.28580 
1 1 1 11  -17 8  o 116.3424 53.04968 1.354179       12.15982  2.163665       6.880799  10.64984       84.84832 
1 1 1 11  -17 9  o 117.5231 52.46262 14.38684       11.31768  -0.4983124     6.303618  50.23856       88.12967 
1 1 1 11  -17 10 o 121.5485 56.05289 0.000000       0.000000  2.886284       6.945966  ?              ?        
1 1 1 11  -17 11 o 93.84071 44.25534 6.565187       7.856760  -5.611073      5.941145  44.52378       75.11678 
1 1 1 11  -17 12 o 99.45200 46.42694 -6.623959      7.905122  4.319603       6.438745  -24.54825      73.95581 
1 1 1 11  -17 13 o 106.9799 47.78369 0.000000       0.000000  2.244456       4.575489  ?              ?        
1 1 1 11  -16 0  f 104.3836 42.98968 5.076324       4.435766  -1.751646      4.546389  42.21683       69.36433 
1 1 1 11  -16 1  f 108.9226 43.77449 3.179776       4.486444  1.254847       4.558824  12.08102       70.99407 
1 1 1 11  -16 2  o 100.5298 41.91413 4.510119       4.401398  -1.556887      4.284223  39.34875       68.26114 
1 1 1 11  -16 3  f 96.33678 41.59444 1.538693       4.438987  -0.2366070     4.643064  8.203766       68.14066 
1 1 1 11  -16 4  o 278.2067 29.84514 18.72948       5.026292  18.52446       5.115231  2.830017       64.28114 
1 1 1 11  -16 5  o 101.2813 42.32405 5.885983       4.400499  -2.875382      4.484542  52.97016       68.02534 
1 1 1 11  -16 6  o 208.2576 42.27354 11.78665       5.372202  11.54830       5.181742  0.4833221      81.91994 
1 1 1 11  -16 7  o 192.0912 45.85474 8.110496       5.483943  12.25416       5.296994  -37.82198      82.51614 
1 1 1 11  -16 8  o 118.6420 50.80833 3.545935       6.456513  1.530452       6.898154  6.887032       81.05769 
1 1 1 11  -16 9  o 96.60940 44.50482 -0.1744229E-01 6.219591  -1.442626      6.119982  5.736832       72.80160 
1 1 1 11  -16 10 o 95.07992 44.65343 -2.447902      7.568027  -1.092787      6.072039  4.347252       73.31257 
1 1 1 11  -16 11 o 109.4912 47.37777 0.6375140      6.186812  3.688791       5.672237  -11.24426      75.13827 
1 1 1 11  -16 12 o 97.53937 44.30270 2.014734       6.227769  -1.156399      5.507519  16.10039       72.07500 
1 1 1 11  -16 13 o 115.2130 48.73914 2.675426       6.425661  4.042821       5.657321  -4.121719      76.42625 
1 1 1 11  -16 14 o 92.67213 42.59108 -0.5192750     6.552114  0.1394989      4.975629  6.105568       69.21786 
1 1 1 11  -15 0  o 104.4998 42.04671 -0.6155075     3.947246  4.761235       4.453505  -42.49196      69.03259 
1 1 1 11  -15 1  o 173.4621 42.30886 5.665693       4.290187  10.14941       4.770322  -43.61617      75.55540 
1 1 1 11  -15 2  o 192.8031 40.00943 10.44895       4.629726  8.176622       4.626698  23.19318       75.83948 
1 1 1 11  -15 3  o 86.35067 38.90329 0.9174258      4.379691  -2.642650      4.404107  18.24992       65.28541 
1 1 1 11  -15 4  f 127.0717 45.00286 3.399137       4.406363  4.388803       4.467349  -8.190155      73.74934 
1 1 1 11  -15 5  o 82.20721 37.21535 -3.725404      4.250648  1.426590       3.921160  -23.40906      62.39078 
1 1 1 11  -15 6  o 96.51389 41.29671 -1.773357      4.315033  3.434850       4.484201  -32.72887      68.00543 
1 1 1 11  -15 7  o 199.1995 40.13569 12.88166       4.928988  7.850535       4.658229  48.31740       76.36392 
1 1 1 11  -15 8  o 93.48476 41.33602 -0.1713734     4.940464  0.4724405      4.527130  0.1734848      67.95679 
1 1 1 11  -15 9  o 94.50623 41.51381 -0.6081746     5.388361  0.9402227      4.204923  1.866669       68.38731 
1 1 1 11  -15 10 o 104.4123 43.90086 -2.471472      5.307653  4.601546       4.452505  -32.99680      70.22372 
1 1 1 11  -15 11 f 105.2068 46.90748 0.3238184E-01  5.895935  1.715274       6.571598  -10.48643      76.07428 
1 1 1 11  -15 12 o 94.48152 41.61162 5.190902       6.228237  -1.167073      3.975057  44.76654       71.69217 
1 1 1 11  -15 13 o 82.40829 37.63366 -3.378396      4.716928  1.271071       3.950357  -14.46889      61.97285 
1 1 1 11  -15 14 o 108.6854 44.35683 0.4608466E-01  5.119145  4.820664       4.410623  -24.12067      70.16255 
1 1 1 11  -15 15 o 160.6284 54.45200 9.309996       6.898165  8.499789       6.101965  2.177277       87.16937 
1 1 1 11  -15 16 o 99.04372 47.92903 -3.126295      6.379848  0.000000       0.000000  ?              ?        
1 1 1 11  -14 0  o 157.3118 44.06238 6.143950       4.270722  6.207588       4.700377  -1.415466      76.24786 
1 1 1 11  -14 1  o 91.00951 39.87002 -2.246103      4.077641  2.294682       4.558395  -32.33846      67.22033 
1 1 1 11  -14 2  o 277.4380 30.22755 20.77183       4.966578  14.54920       5.284502  56.22089       65.35979 
1 1 1 11  -14 3  o 131.2659 44.47962 4.009251       4.054818  4.098772       4.627361  -3.997375      73.85210 
1 1 1 11  -14 4  o 277.5634 29.22986 19.20116       4.895240  16.43096       5.021752  24.86432       61.82293 
1 1 1 11  -14 5  o 164.3579 42.94155 5.960784       4.383132  7.661365       4.469195  -16.81616      75.57504 
1 1 1 11  -14 6  o 141.3374 44.78050 6.618560       4.439243  3.424362       4.367133  28.63243       74.47021 
1 1 1 11  -14 7  o 320.4443 25.72704 29.47575       5.158056  18.23557       4.988281  82.71475       55.31430 
1 1 1 11  -14 8  o 118.8609 44.97184 0.9546343      4.641490  5.007834       4.455014  -28.16853      72.75146 
1 1 1 11  -14 9  o 130.5443 44.93076 3.192877       4.707436  5.207246       4.152762  -14.05523      73.49966 
1 1 1 11  -14 10 o 83.59051 38.72295 -1.022015      6.230208  -1.949589      4.007098  24.05489       67.38734 
1 1 1 11  -14 11 o 111.3931 50.75238 -0.3159802     5.467161  0.000000       0.000000  ?              ?        
1 1 1 11  -14 12 o 111.0803 45.01709 0.5059535      5.320281  3.885854       4.449607  -15.00459      72.27728 
1 1 1 11  -14 13 o 117.9476 45.52720 2.274734       5.896659  4.017578       4.047907  -3.058487      73.61591 
1 1 1 11  -14 14 o 138.8892 45.31634 4.976334       4.924536  5.982210       4.146959  -8.181702      74.50548 
1 1 1 11  -14 15 o 207.3489 40.29221 11.03059       5.300305  12.15770       4.738262  -17.26357      79.36445 
1 1 1 11  -14 16 o 131.1382 45.76334 8.744064       5.030109  2.493094       4.225970  46.82365       74.30251 
1 1 1 11  -14 17 o 210.8113 40.18364 14.75812       5.376424  10.40209       4.798808  34.12863       79.89838 
1 1 1 11  -13 0  o 186.8949 42.25972 7.702608       4.522597  9.453737       5.096822  -17.06839      77.99290 
1 1 1 11  -13 1  o 185.6049 42.06229 6.929775       4.545239  10.01527       4.940331  -30.70596      77.09587 
1 1 1 11  -13 2  f 323.5013 25.43880 25.65368       4.880285  21.32092       5.269884  33.28748       53.26695 
1 1 1 11  -13 3  o 138.4150 44.08133 4.184874       4.074019  4.912558       4.477931  -8.849014      74.05892 
1 1 1 11  -13 4  o 159.9469 42.56882 6.201769       4.083554  6.286704       4.549480  -1.812347      74.76560 
1 1 1 11  -13 5  o 229.7668 32.80193 12.82417       4.465042  11.78890       4.624501  11.34651       67.84390 
1 1 1 11  -13 6  o 346.1217 25.16307 36.44364       5.501749  18.77423       5.239410  119.7632       54.75819 
1 1 1 11  -13 7  o 437.1223 21.74633 45.44267       5.715340  40.28947       6.055680  28.83948       44.61198 
1 1 1 11  -13 8  o 282.3886 26.71644 18.25230       4.556194  18.43774       4.695581  -0.6825562     55.79078 
1 1 1 11  -13 9  o 99.08652 40.53960 1.354327       4.076803  1.220421       3.851270  3.142899       66.65671 
1 1 1 11  -13 10 o 120.4403 48.92540 0.000000       0.000000  2.536798       4.042607  ?              ?        
1 1 1 11  -13 11 o 164.0271 52.52933 8.618409       5.646901  6.107826       6.541565  17.54491       86.66858 
1 1 1 11  -13 12 o 166.7563 45.75293 7.584679       5.459561  7.465100       4.445122  -0.7081604     79.81680 
1 1 1 11  -13 13 f 108.7105 44.05819 6.694641       5.262447  -0.6155949     4.172484  54.11810       72.83848 
1 1 1 11  -13 14 o 242.8816 46.29285 0.000000       0.000000  16.20442       4.751861  ?              ?        
1 1 1 11  -13 15 o 72.47886 34.29097 -2.486503      4.429590  -2.108326      3.808160  4.969002       58.31108 
1 1 1 11  -13 16 o 76.47033 36.39263 -7.450927      5.877869  -0.4991980     4.072064  -6.834488      61.46031 
1 1 1 11  -13 17 o 91.97098 40.12104 -1.502979      4.476306  2.870562       4.164894  -21.07874      64.92986 
1 1 1 11  -13 18 o 176.6280 45.16165 13.24859       5.237221  5.909892       4.734478  60.73715       78.48806 
1 1 1 11  -12 0  o 228.6899 31.90081 14.05944       4.337988  9.898467       4.469965  42.82372       65.96229 
1 1 1 11  -12 1  o 194.2748 36.86885 4.379545       4.025368  14.72499       4.591672  -105.9474      67.08623 
1 1 1 11  -12 2  o 79.07969 36.08115 0.7836555      3.785586  -4.379095      4.082214  24.22025       61.60725 
1 1 1 11  -12 3  o 376.7257 21.86074 27.43233       4.830298  36.94658       5.388829  -56.72205      44.38512 
1 1 1 11  -12 4  o 227.5880 32.18652 10.67547       4.161303  13.53374       4.727329  -26.80080      66.11595 
1 1 1 11  -12 5  o 297.1019 27.51876 15.88578       4.663688  25.59571       5.457426  -73.16766      57.14265 
1 1 1 11  -12 6  o 297.6115 27.42402 27.57915       5.098871  13.11510       4.917982  115.2693       60.46144 
1 1 1 11  -12 7  o 217.2747 34.42260 14.49120       4.416124  7.384458       4.557248  73.01790       68.79186 
1 1 1 11  -12 8  f 86.42584 37.91841 -3.082608      3.821947  2.584594       3.984119  -37.76328      63.80128 
1 1 1 11  -12 9  o 96.80869 39.64780 2.531175       3.833371  -0.3467575     3.751457  21.95654       65.36300 
1 1 1 11  -12 10 o 469.8927 24.84612 47.10800       9.168094  51.60070       6.142163  -39.02762      57.37731 
1 1 1 11  -12 11 o 241.2872 32.73277 14.73181       5.115660  13.11873       4.491208  11.05434       68.92497 
1 1 1 11  -12 12 o 101.0011 42.38737 0.8015993      5.295920  1.311761       3.958763  8.535423       70.25215 
1 1 1 11  -12 13 o 191.5963 42.54977 10.44258       5.634025  9.044271       4.430821  7.083542       80.24081 
1 1 1 11  -12 14 o 174.1376 46.57364 10.37959       6.195202  7.100226       4.472976  23.61377       83.14401 
1 1 1 11  -12 15 o 213.2562 37.44880 9.179430       5.035958  13.60486       4.547951  -48.76906      74.77142 
1 1 1 11  -12 16 o 96.23338 40.66690 -3.187618      4.366266  5.051066       4.003783  -46.97534      65.18295 
1 1 1 11  -12 17 o 87.65789 38.90488 -1.790725      4.384880  1.748239       4.072316  -15.87675      63.80112 
1 1 1 11  -12 18 o 69.87584 33.54050 -4.847831      4.431578  -1.462434      4.017451  -8.231789      57.15533 
1 1 1 11  -12 19 o 181.7256 44.70965 10.55850       5.198867  8.809314       4.831216  12.66969       80.61195 
1 1 1 11  -11 0  o 270.8286 26.22030 16.95026       4.283171  16.20976       4.420036  7.046539       54.30956 
1 1 1 11  -11 1  o 183.5795 35.93259 6.750507       3.868164  9.216208       4.027428  -27.38319      68.58494 
1 1 1 11  -11 2  o 76.51049 34.88083 -1.199792      3.671277  -1.751755      3.647292  3.501907       59.68306 
1 1 1 11  -11 3  o 96.01525 39.48954 1.133402       3.651475  0.4961880      3.927468  1.358383       65.51505 
1 1 1 11  -11 4  o 390.9020 21.36071 34.74202       5.031737  33.27300       5.298510  9.358429       43.38627 
1 1 1 11  -11 5  o 306.4246 25.16457 19.36156       4.526307  23.17177       4.989955  -27.55801      51.54046 
1 1 1 11  -11 6  o 382.0350 21.84617 31.75066       4.975545  33.41592       5.356766  -9.154175      44.31605 
1 1 1 11  -11 7  o 74.50984 35.22194 -3.467227      4.017719  -3.045359      4.630030  -10.25945      61.82786 
1 1 1 11  -11 8  o 470.1733 19.63677 49.13743       5.616555  49.18727       5.818007  0.2266846      39.67412 
1 1 1 11  -11 9  o 131.6812 42.55991 4.377927       3.869334  3.598669       4.061815  6.143433       71.16128 
1 1 1 11  -11 10 f 387.9861 21.22332 37.82985       5.241459  30.07663       4.948169  45.29874       43.20105 
1 1 1 11  -11 11 o 180.3774 36.15822 6.626663       3.946638  8.961140       3.864275  -26.33484      68.73782 
1 1 1 11  -11 12 o 114.0972 43.39980 -0.5881471     4.640956  4.828795       3.938490  -34.28051      69.72973 
1 1 1 11  -11 13 o 91.25129 39.85979 1.902435       5.232284  -0.9335396     3.694912  31.78802       68.41635 
1 1 1 11  -11 14 o 203.5543 39.42642 5.656512       5.417084  13.61852       4.352622  -80.01698      73.29011 
1 1 1 11  -11 15 o 105.4421 43.90549 5.969508       5.839406  -0.6114799     4.112459  51.84040       74.49052 
1 1 1 11  -11 16 o 143.2795 44.36663 8.235224       4.559501  3.308155       4.161664  43.94539       73.66306 
1 1 1 11  -11 17 o 217.9621 36.33939 6.227683       5.014887  16.97123       4.506599  -107.3692      70.01015 
1 1 1 11  -11 18 o 103.1173 42.16237 -2.007726      4.457634  5.453779       4.120648  -45.14005      67.12986 
1 1 1 11  -11 19 f 134.6933 45.57996 4.513484       4.638580  5.947935       4.426427  -11.07632      74.17291 
1 1 1 11  -11 20 o 89.11358 39.85490 -1.081503      4.663231  1.397855       4.383623  -9.834915      64.89867 
1 1 1 11  -10 0  o 729.9620 18.12367 120.2883       8.146511  115.6890       8.268017  14.69666       36.53267 
1 1 1 11  -10 1  o 526.1375 17.91157 59.14006       5.644312  63.88988       6.051642  -19.93683      36.08747 
1 1 1 11  -10 2  o 131.3268 41.17483 5.747652       3.714876  2.147675       3.748316  35.57738       68.30486 
1 1 1 11  -10 3  o 687.4706 17.56161 108.4981       7.588900  100.9927       7.381520  24.66840       35.32394 
1 1 1 11  -10 4  o 104.0950 39.86812 2.752500       3.552815  0.7901298      3.648284  15.53266       65.58152 
1 1 1 11  -10 5  o 243.3131 26.44558 14.00510       3.846127  12.72071       4.013959  13.20097       55.02849 
1 1 1 11  -10 6  o 142.0186 48.41303 4.468215       3.613487  0.000000       0.000000  ?              ?        
1 1 1 11  -10 7  o 349.5569 22.78255 26.09205       4.660239  28.73858       5.212376  -16.11679      46.37195 
1 1 1 11  -10 8  f 103.1503 40.82306 -0.1899085     3.764249  3.294063       3.992717  -29.89233      67.35303 
1 1 1 11  -10 9  o 250.8626 30.37443 17.56760       4.618383  11.07604       4.642862  61.29169       63.99206 
1 1 1 11  -10 10 o 197.5591 34.86938 8.964613       4.015759  9.301614       4.226458  -3.164780      68.80745 
1 1 1 11  -10 11 o 362.8144 21.49389 30.24675       4.752033  28.64364       4.882130  10.68253       43.75031 
1 1 1 11  -10 12 o 122.5758 40.74889 2.325885       3.597382  4.585294       3.645331  -22.13034      67.50070 
1 1 1 11  -10 13 o 378.9023 23.01073 32.68628       5.605801  32.31161       5.184754  0.3654480      47.19648 
1 1 1 11  -10 14 o 145.8993 50.07524 0.000000       0.000000  5.308052       3.867325  ?              ?        
1 1 1 11  -10 15 o 311.4964 34.71468 0.000000       0.000000  23.52654       4.662648  ?              ?        
1 1 1 11  -10 16 o 95.48766 41.40729 3.333791       5.626004  -0.9540223     3.904190  38.70275       70.93732 
1 1 1 11  -10 17 o 240.3793 31.24185 13.65879       4.677619  14.36366       4.429396  -9.802399      66.88629 
1 1 1 11  -10 18 o 96.76556 41.16059 0.7994341      4.387059  1.512167       4.261027  -3.215096      66.95009 
1 1 1 11  -10 19 o 86.32314 38.68279 -1.046741      4.539090  0.4637870      4.056916  -3.320267      63.78460 
1 1 1 11  -10 20 o 109.3752 43.24504 3.105164       4.536810  2.604750       4.171788  4.977661       69.51287 
1 1 1 11  -10 21 o 141.1059 45.84216 7.537847       4.942393  4.701061       4.309004  21.62299       75.61805 
1 1 1 11  -9  0  o 200.5314 31.25694 7.435497       3.595524  11.40188       3.952695  -43.49214      62.66340 
1 1 1 11  -9  1  o 420.7703 18.65536 40.24100       4.741981  38.11468       4.981198  12.07370       37.72604 
1 1 1 11  -9  2  o 101.6278 39.26495 1.262190       3.388605  1.998289       3.652037  -9.296791      64.96831 
1 1 1 11  -9  3  o 365.3380 19.82072 28.07794       4.337785  31.39111       4.626300  -20.32071      40.05508 
1 1 1 11  -9  4  o 334.1240 20.84088 27.74658       4.367158  22.09493       4.232132  38.86777       42.41091 
1 1 1 11  -9  5  o 682.2325 17.23873 101.5617       7.233586  104.2712       7.347016  -8.930969      34.64547 
1 1 1 11  -9  6  o 246.7769 24.86613 12.62832       3.582132  15.01009       3.954832  -21.38858      51.28509 
1 1 1 11  -9  7  o 231.8892 26.17085 10.54901       3.468563  14.26912       3.982136  -35.70992      54.11860 
1 1 1 11  -9  8  o 124.4255 39.56102 2.700372       3.316809  4.425701       3.563740  -19.71812      66.38524 
1 1 1 11  -9  9  o 353.6191 21.67465 27.47898       4.592148  28.24497       4.884692  -4.336945      43.98279 
1 1 1 11  -9  10 o 207.9048 33.20376 10.94943       4.090378  8.917544       4.187801  22.21800       66.74422 
1 1 1 11  -9  11 o 99.71949 40.50223 2.064832       3.879707  0.5970516E-01  3.956088  13.94587       66.95834 
1 1 1 11  -9  12 o 186.1151 39.42307 9.939416       3.900361  5.314387       5.190340  45.60809       73.12685 
1 1 1 11  -9  13 o 187.6922 34.39047 5.998889       3.983128  10.36855       3.741323  -49.36404      66.31454 
1 1 1 11  -9  14 o 280.4492 25.30931 19.63496       4.725121  16.68425       4.061250  21.21658       52.61063 
1 1 1 11  -9  15 o 154.1741 42.95652 14.29817       4.998084  1.241744       3.775699  125.2855       68.06850 
1 1 1 11  -9  16 o 127.9710 43.97824 3.149124       4.660319  4.669139       3.882991  -8.948883      72.29636 
1 1 1 11  -9  17 o 195.9989 36.58105 7.206398       4.371887  11.71595       4.201329  -48.82675      70.85734 
1 1 1 11  -9  18 o 93.38721 39.86703 1.890095       4.198124  -0.1747723     3.973215  14.70515       65.48428 
1 1 1 11  -9  19 o 183.0285 40.38206 8.134280       4.484649  9.694349       4.439048  -16.14650      75.50486 
1 1 1 11  -9  20 o 177.9432 41.51123 10.18731       4.537018  7.028144       4.459533  30.74728       75.66164 
1 1 1 11  -9  21 o 115.5267 44.66949 2.655881       4.754164  4.049509       4.368534  -7.749207      71.51903 
1 1 1 11  -9  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  -8  0  o 522.2674 24.50704 60.72000       5.598507  0.000000       0.000000  ?              ?        
1 1 1 11  -8  1  o 749.6008 17.36812 127.5572       8.057144  120.4331       8.095096  21.82385       34.93375 
1 1 1 11  -8  2  o 698.0751 17.16470 108.2890       7.342791  106.7121       7.526279  5.406189       34.52646 
1 1 1 11  -8  3  o 339.8114 20.46121 27.30943       4.223679  23.83419       4.366018  23.97000       41.63982 
1 1 1 11  -8  4  o 256.0603 24.41244 14.46842       3.751687  14.90880       3.915109  -3.561005      50.15925 
1 1 1 11  -8  5  f 162.5302 35.61139 6.349262       3.518013  5.984596       3.464457  4.385635       65.92766 
1 1 1 11  -8  6  o 671.9540 16.71787 96.96130       6.827834  102.5098       7.118145  -18.53583      33.61411 
1 1 1 11  -8  7  o 242.1929 24.97449 15.34902       3.595261  10.74208       3.810867  45.97823       53.08979 
1 1 1 11  -8  8  o 120.3158 37.98911 4.348993       3.055129  1.996663       3.301204  23.30382       63.25742 
1 1 1 11  -8  9  o 347.7526 19.93634 26.67441       4.245142  27.09268       4.321084  -2.610199      40.34044 
1 1 1 11  -8  10 o 281.5777 23.93487 22.32815       4.129230  13.12389       4.153043  77.55664       51.42382 
1 1 1 11  -8  11 o 108.9625 40.98733 3.516280       3.744595  0.6061878      3.782115  24.30727       67.27683 
1 1 1 11  -8  12 o 545.7045 25.99545 66.62744       6.204484  0.000000       0.000000  ?              ?        
1 1 1 11  -8  13 o 279.3573 23.88306 21.11678       4.202826  14.32227       4.002620  56.45674       49.79313 
1 1 1 11  -8  14 o 101.5170 39.54645 3.354746       3.726576  0.1770604      3.460124  29.10120       65.08042 
1 1 1 11  -8  15 o 202.7487 33.03741 13.01300       4.559779  7.609795       3.623859  54.15593       66.24062 
1 1 1 11  -8  16 o 205.7441 33.57510 8.664255       4.539418  11.12951       3.826293  -30.35550      68.48608 
1 1 1 11  -8  17 o 216.9546 34.99960 12.91194       5.520950  10.77744       3.959114  9.482742       73.58301 
1 1 1 11  -8  18 o 131.0137 42.43755 3.474432       4.021362  5.166538       3.859623  -14.91923      70.39655 
1 1 1 11  -8  19 o 190.0278 41.24640 6.707281       5.394627  11.18194       4.251413  -48.09949      75.89583 
1 1 1 11  -8  20 o 325.7915 23.90880 21.87886       4.765933  28.01486       4.831141  -44.59479      50.66299 
1 1 1 11  -8  21 o 84.23920 37.99170 -0.3084272     4.288863  -0.4338983     4.118368  2.176926       62.78054 
1 1 1 11  -8  22 o 151.5202 44.82824 9.758432       4.619854  3.837678       4.405993  50.83949       74.34329 
1 1 1 11  -7  0  o 629.8466 16.80077 92.25855       6.635793  83.07050       6.483487  33.21643       33.75574 
1 1 1 11  -7  1  o 502.7445 16.90505 53.72113       5.166626  58.06650       5.368276  -19.54315      33.97712 
1 1 1 11  -7  2  o 467.4036 17.11476 47.60659       4.868968  48.94909       5.043389  -6.351929      34.42185 
1 1 1 11  -7  3  o 692.3102 16.66999 106.5854       7.103637  104.7536       7.215673  6.189880       33.50986 
1 1 1 11  -7  4  o 749.6141 16.83891 125.6265       7.781037  122.1282       7.880122  10.79761       33.84192 
1 1 1 11  -7  5  o 778.3088 17.14045 132.1165       8.143023  135.1488       8.414507  -8.611816      34.44299 
1 1 1 11  -7  6  o 364.7530 18.52791 28.73115       4.075584  30.22618       4.289548  -9.091705      37.37074 
1 1 1 11  -7  7  o 241.9027 23.68677 11.75984       3.482210  14.46502       3.536140  -26.17625      48.90939 
1 1 1 11  -7  8  o 736.0465 16.30092 119.0295       7.387061  119.9184       7.499724  -2.631531      32.75078 
1 1 1 11  -7  9  o 480.5372 16.40340 53.05618       4.806373  48.82763       4.962310  20.42575       33.07137 
1 1 1 11  -7  10 o 387.3039 17.93390 37.37719       4.335412  29.22656       4.259533  48.34674       36.38508 
1 1 1 11  -7  11 o 97.43726 40.16319 -1.779791      4.807553  2.072977       3.397012  -8.847862      66.68223 
1 1 1 11  -7  12 o 839.6858 25.46477 157.0478       9.368191  0.000000       0.000000  ?              ?        
1 1 1 11  -7  13 o 503.9611 18.18901 53.50579       5.500969  59.35733       5.870816  -25.99344      36.62338 
1 1 1 11  -7  14 o 378.3883 19.55595 34.44693       4.657858  29.45792       4.495731  30.03745       39.60060 
1 1 1 11  -7  15 o 177.9675 34.56746 8.208533       3.904187  6.910436       3.488016  14.25911       66.60553 
1 1 1 11  -7  16 f 246.5448 27.46282 11.79177       4.551186  15.50224       3.805802  -40.61688      60.19663 
1 1 1 11  -7  17 o 420.3068 26.96795 0.000000       0.000000  40.58031       4.945590  ?              ?        
1 1 1 11  -7  18 o 164.2496 40.07883 7.162085       4.718237  6.727529       3.599061  2.356125       73.09341 
1 1 1 11  -7  19 o 127.4738 41.46125 1.759363       3.822378  6.283427       3.694315  -41.50526      67.49648 
1 1 1 11  -7  20 o 230.9167 30.14660 10.78801       4.066484  15.36961       4.381665  -44.01100      64.04546 
1 1 1 11  -7  21 o 124.4726 43.52901 3.120016       4.146398  5.129293       4.136100  -16.23885      70.82935 
1 1 1 11  -7  22 o 81.37927 36.92015 2.166140       4.169322  -2.895140      3.917909  28.17474       61.70329 
1 1 1 11  -7  23 o 236.3104 33.49231 16.01495       4.954479  12.83303       4.608631  26.79703       72.12349 
1 1 1 11  -6  0  o 260.9054 22.16333 18.62603       3.605409  11.94467       3.503020  59.85989       46.45252 
1 1 1 11  -6  1  o 574.9413 16.08623 72.00336       5.643485  73.97986       5.823728  -7.640869      32.31440 
1 1 1 11  -6  2  o 189.8384 29.27814 7.623432       3.333253  8.837208       3.340939  -14.49628      59.07785 
1 1 1 11  -6  3  o 607.8943 16.19982 83.19701       6.135860  79.96474       6.071322  12.09540       32.53559 
1 1 1 11  -6  4  o 94.85886 37.22116 0.4962215      3.117895  2.073518       3.279503  -15.89185      61.60161 
1 1 1 11  -6  5  o 1176.934 20.39022 308.2450       14.89054  304.3335       14.88231  7.597412       40.94977 
1 1 1 11  -6  6  o 748.5563 16.50455 122.7368       7.579198  124.3276       7.751312  -4.676270      33.15492 
1 1 1 11  -6  7  o 849.2878 17.12712 163.3751       9.076427  154.7608       8.970696  23.09930       34.39815 
1 1 1 11  -6  8  o 297.6340 19.65739 23.21477       3.630532  16.16272       3.587835  54.97610       40.51968 
1 1 1 11  -6  9  o 482.9369 15.99572 52.20342       4.795993  50.71421       4.774713  7.041321       32.13559 
1 1 1 11  -6  10 o 268.0936 21.07552 15.36755       3.372439  16.73033       3.591450  -11.28635      42.92217 
1 1 1 11  -6  11 o 503.9130 22.79914 0.000000       0.000000  56.49218       5.026306  ?              ?        
1 1 1 11  -6  12 o 200.6309 27.72253 8.538477       3.291300  9.818438       3.429176  -14.37653      56.80915 
1 1 1 11  -6  13 o 463.5754 17.84885 44.94716       4.941913  50.54241       5.325848  -27.06989      35.92836 
1 1 1 11  -6  14 o 367.6476 19.78292 29.02920       4.391604  31.10770       4.606200  -12.59036      39.98854 
1 1 1 11  -6  15 o 431.9855 17.73969 37.28477       4.629326  45.95706       4.866744  -45.63419      35.83268 
1 1 1 11  -6  16 o 91.21024 38.29700 -1.930937      3.705727  2.855038       3.622187  -33.18939      63.19370 
1 1 1 11  -6  17 o 133.7987 40.98385 4.791948       4.225348  4.025391       3.363533  11.55524       69.91794 
1 1 1 11  -6  18 o 81.94814 36.13013 2.059084       4.104670  -1.799162      3.217865  35.49010       62.04628 
1 1 1 11  -6  19 o 110.9580 40.37868 6.275609       3.794596  -0.9461531E-01 3.430505  58.35690       64.88721 
1 1 1 11  -6  20 o 264.9547 26.00852 14.42282       4.187637  18.50828       4.252422  -36.70341      55.41375 
1 1 1 11  -6  21 o 196.7736 33.22912 12.02699       3.916698  7.272948       3.906818  52.77959       66.47586 
1 1 1 11  -6  22 o 78.92709 35.68884 3.014138       3.843714  -3.809710      3.635899  40.33646       60.19336 
1 1 1 11  -6  23 o 118.8009 42.96830 6.361917       4.325100  1.793409       3.850014  37.01397       69.55104 
1 1 1 11  -6  24 o 103.7220 41.42152 4.131085       4.238348  1.114831       3.836943  22.41226       66.78236 
1 1 1 11  -5  0  o 454.9181 16.68287 46.68816       4.636275  44.75465       4.766114  9.961212       33.60216 
1 1 1 11  -5  1  o 604.8893 15.91068 79.66702       5.949078  81.98090       5.980866  -8.718384      31.96583 
1 1 1 11  -5  2  o 182.3060 29.12768 8.454143       3.181226  6.792603       3.185152  20.47424       58.40893 
1 1 1 11  -5  3  o 169.8373 31.96831 6.803108       3.271952  6.587591       3.217574  2.617661       61.81999 
1 1 1 11  -5  4  o 705.0804 16.00823 113.5513       7.131835  106.2037       6.878282  23.49982       32.18124 
1 1 1 11  -5  5  o 311.9769 19.50808 22.65107       3.784533  20.62024       3.728926  14.94330       39.52627 
1 1 1 11  -5  6  o 282.9926 21.13731 18.06008       3.597296  17.57352       3.776794  4.438660       43.08105 
1 1 1 11  -5  7  o 227.5791 33.39246 10.65642       4.527894  13.05826       4.621410  -24.00443      67.96822 
1 1 1 11  -5  8  o 591.1475 21.96838 79.15638       8.240501  75.81119       7.856840  12.42981       44.25572 
1 1 1 11  -5  9  o 375.5426 23.82021 29.79156       5.491824  32.95685       5.549600  -19.41312      48.31398 
1 1 1 11  -5  10 o 258.9462 29.21288 18.22461       4.901174  12.64376       4.366327  48.92307       60.40617 
1 1 1 11  -5  11 o 337.6661 25.31666 20.61773       5.262772  30.32127       5.265731  -67.38467      52.88251 
1 1 1 11  -5  12 o 171.1762 42.03376 8.853586       4.236792  4.640878       4.652577  41.24702       73.97712 
1 1 1 11  -5  13 o 356.9459 25.21460 29.33986       5.463562  27.61517       5.634617  11.72485       51.47470 
1 1 1 11  -5  14 o 469.0182 24.53274 45.98407       6.759484  52.77414       7.527978  -31.71469      49.69667 
1 1 1 11  -5  15 o 152.6872 49.85704 -3.118287      5.143595  15.96828       5.769040  -151.0449      71.87333 
1 1 1 11  -5  16 o 356.2714 26.85737 30.88858       6.101116  26.68365       5.702720  26.16846       55.05366 
1 1 1 11  -5  17 o 223.3549 44.57785 2.152673       6.853619  18.26346       5.343859  -128.9826      76.98315 
1 1 1 11  -5  18 o 175.8405 54.08677 7.189962       9.595337  8.272956       5.207993  1.849533       94.39187 
1 1 1 11  -5  19 o 195.7128 57.32644 0.000000       0.000000  10.66961       5.236111  ?              ?        
1 1 1 11  -5  20 o 135.3735 44.07713 2.380162       5.844718  5.503534       3.498373  -14.65543      73.65044 
1 1 1 11  -5  21 o 133.6546 39.78756 1.745987       3.583971  7.389940       3.504012  -56.52118      64.82751 
1 1 1 11  -5  22 o 85.22461 36.69872 -2.753939      3.562232  3.636879       3.467771  -40.90237      59.96743 
1 1 1 11  -5  23 o 76.48270 34.49763 -1.263559      3.653486  0.1168146      3.302990  -3.889725      57.38280 
1 1 1 11  -5  24 o 98.23709 39.47638 5.841402       4.047705  -0.6966164     3.393057  51.87160       64.40351 
1 1 1 11  -4  0  o 211.6427 26.22046 9.508077       3.239939  10.90917       3.514420  -14.51860      54.19045 
1 1 1 11  -4  1  o 326.0418 26.62543 0.000000       0.000000  23.96219       3.774647  ?              ?        
1 1 1 11  -4  2  o 372.9510 17.46399 31.19785       4.073377  30.55746       3.986161  3.759705       35.25011 
1 1 1 11  -4  3  o 116.6698 43.29986 5.361765       4.241716  0.1742029E-01  4.104566  44.75013       70.37973 
1 1 1 11  -4  4  o 479.5860 21.81105 51.44697       6.440723  51.18074       6.503210  1.445251       44.13879 
1 1 1 11  -4  5  o 259.5255 43.14382 15.94114       4.738973  0.000000       0.000000  ?              ?        
1 1 1 11  -4  6  o 438.6491 22.22477 46.75485       6.037418  39.00634       6.018075  40.81787       45.17461 
1 1 1 11  -4  7  o 493.9666 21.37424 52.37438       6.371297  56.20242       6.709725  -17.18216      43.13945 
1 1 1 11  -4  8  o 246.0674 29.68203 9.582442       4.338304  18.22762       4.547630  -81.69780      62.34139 
1 1 1 11  -4  9  o 101.5779 38.79345 2.496731       2.966489  0.2307438E-01  4.110176  6.901848       64.26825 
1 1 1 11  -4  10 o 126.7576 36.28320 3.507982       3.000655  3.873703       2.995079  -4.292557      62.35032 
1 1 1 11  -4  11 o 343.9282 20.34737 25.80363       3.766297  27.02811       5.227824  -5.532715      43.22779 
1 1 1 11  -4  12 o 373.6946 20.06079 30.14893       3.960695  32.71718       5.830207  -12.25858      43.15266 
1 1 1 11  -4  13 o 966.9503 25.09560 196.6481       14.40900  222.0175       15.76213  -57.53662      50.64857 
1 1 1 11  -4  14 o 346.6790 24.94858 29.49380       5.339254  24.28297       5.319533  35.02005       51.12146 
1 1 1 11  -4  15 o 183.6607 39.61152 8.975648       4.395108  6.891866       4.365169  21.99632       73.49174 
1 1 1 11  -4  16 o 159.4280 44.78778 4.305828       4.571130  7.855079       4.652576  -34.03627      76.59233 
1 1 1 11  -4  17 o 307.3117 26.36740 17.39618       4.807948  25.92404       5.167315  -63.85074      54.98254 
1 1 1 11  -4  18 o 81.79802 36.31707 0.1468910      3.339505  -1.856902      4.153118  1.328835       61.30068 
1 1 1 11  -4  19 o 423.1117 22.96492 47.52252       6.151273  34.17864       5.868490  72.24606       47.34142 
1 1 1 11  -4  20 o 123.1852 41.55628 2.670397       3.340622  5.504593       4.405413  -30.60679      69.83112 
1 1 1 11  -4  21 o 190.4874 34.09166 12.62252       3.901195  5.269548       3.860059  80.21193       64.96420 
1 1 1 11  -4  22 o 207.5540 37.27625 10.33123       3.834571  12.65472       6.253274  -1.687241      78.31870 
1 1 1 11  -4  23 o 126.2952 52.24137 4.107043       6.621206  3.667344       6.718981  1.747009       82.80241 
1 1 1 11  -4  24 o 121.4581 53.16607 11.73586       8.496666  -2.639734      6.982136  57.36205       86.32892 
1 1 1 11  -4  25 o 86.31461 42.23069 -3.868773      8.249260  -6.878970      7.007021  13.28746       71.00772 
1 1 1 11  -3  0  f 78.16878 33.64006 -1.995799      2.834659  2.225045       3.079045  -36.51176      56.59832 
1 1 1 11  -3  1  o 267.4372 28.63446 18.47601       4.641233  14.05810       4.712599  39.74229       60.31494 
1 1 1 11  -3  2  o 210.7864 36.40046 5.974389       4.438833  15.60427       4.752252  -95.84079      69.45279 
1 1 1 11  -3  3  o 89.77645 39.49704 1.308782       4.227460  -2.360012      4.290667  20.87942       66.34257 
1 1 1 11  -3  4  o 202.5063 38.07815 8.087659       4.392030  11.74490       4.858844  -36.63843      73.64349 
1 1 1 11  -3  5  o 194.6625 27.21755 10.86646       3.247527  6.625343       3.148561  49.91261       55.85005 
1 1 1 11  -3  6  o 261.5540 28.88652 15.31946       4.669195  15.85800       4.550634  -5.450272      60.17418 
1 1 1 11  -3  7  o 138.1769 42.78068 4.807177       4.078043  4.090487       4.006746  7.350189       72.19729 
1 1 1 11  -3  8  o 429.8065 22.07658 36.72971       5.573872  46.56339       6.210158  -51.19467      44.66016 
1 1 1 11  -3  9  o 313.7471 25.57261 21.93434       4.816436  22.12281       5.060422  -0.7449646     52.32280 
1 1 1 11  -3  10 o 190.5108 36.35915 6.844656       4.216656  9.854776       4.067638  -32.83479      69.54855 
1 1 1 11  -3  11 o 237.5339 30.22123 12.86565       4.415747  12.65296       4.291567  1.736694       62.29431 
1 1 1 11  -3  12 o 341.4236 23.63460 29.10472       5.178135  23.22466       4.793552  39.07401       48.02469 
1 1 1 11  -3  13 o 452.8763 30.18390 46.00331       5.961700  0.000000       0.000000  ?              ?        
1 1 1 11  -3  14 o 407.3477 18.45757 39.53914       5.624913  35.31176       4.054984  20.81577       38.66123 
1 1 1 11  -3  15 o 168.8625 32.06384 4.832496       3.178625  8.499654       3.296296  -44.93805      60.84986 
1 1 1 11  -3  16 o 448.9805 23.20119 44.86633       4.553690  0.000000       0.000000  ?              ?        
1 1 1 11  -3  17 o 249.0428 23.09892 14.84537       3.559309  13.03927       3.497121  16.85503       47.56172 
1 1 1 11  -3  18 o 394.5944 22.84213 0.000000       0.000000  34.92550       3.936666  ?              ?        
1 1 1 11  -3  19 o 99.46156 37.14203 -0.2429558     3.541188  3.174622       2.759827  -22.00925      60.24837 
1 1 1 11  -3  20 o 234.0527 24.91287 14.69613       4.288093  11.49531       3.111521  24.20485       53.32782 
1 1 1 11  -3  21 o 214.4495 27.08736 7.659387       3.988988  12.84494       3.189770  -63.39954      59.83847 
1 1 1 11  -3  22 o 269.3593 25.27259 17.87811       4.845263  16.41131       3.720842  2.684204       55.09507 
1 1 1 11  -3  23 o 166.1358 37.35157 9.072345       4.455757  6.146100       3.307118  25.27701       70.49496 
1 1 1 11  -3  24 o 261.1556 27.25355 22.52469       5.190933  13.12266       3.818741  68.25690       58.58370 
1 1 1 11  -3  25 o 203.9916 36.08629 14.29917       4.829697  8.589565       4.066706  50.10312       72.73812 
1 1 1 11  -3  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  -2  0  o 284.6128 27.71542 19.95827       4.764393  16.72622       4.901074  27.61136       57.94654 
1 1 1 11  -2  1  o 158.6128 43.05345 8.921172       4.258042  3.024795       4.434668  56.74113       72.48672 
1 1 1 11  -2  2  o 353.2466 24.53874 31.74281       5.294948  24.34516       5.393731  49.54428       50.93594 
1 1 1 11  -2  3  o 317.1048 18.76134 21.89475       3.622139  22.98178       3.728127  -7.626099      38.04069 
1 1 1 11  -2  4  o 393.5760 22.56993 34.39273       5.558391  35.05680       5.418663  -4.380981      45.91754 
1 1 1 11  -2  5  f 478.9229 20.89921 48.15325       6.187767  54.29667       6.200070  -29.61377      42.38150 
1 1 1 11  -2  6  o 149.4501 41.47061 4.118119       3.989516  6.615014       3.970108  -25.54924      71.33880 
1 1 1 11  -2  7  o 220.5186 32.32109 11.93260       4.412237  10.65760       4.177526  12.34990       66.22219 
1 1 1 11  -2  8  f 548.4449 29.45123 67.94733       7.058979  0.000000       0.000000  ?              ?        
1 1 1 11  -2  9  o 414.1999 15.23732 36.65603       3.852893  39.22255       3.966284  -14.03564      30.64310 
1 1 1 11  -2  10 o 526.4685 14.28104 63.44627       4.719691  58.85485       4.601721  19.82233       28.66377 
1 1 1 11  -2  11 o 367.9701 15.41276 31.58658       3.558886  28.25037       3.463687  20.67975       31.00575 
1 1 1 11  -2  12 f 405.7591 15.17404 37.66894       3.853459  34.98484       3.772991  15.07025       30.48936 
1 1 1 11  -2  13 o 817.5884 15.99457 155.8051       8.220506  139.1952       8.007524  46.24554       32.12241 
1 1 1 11  -2  14 o 276.9506 17.93117 13.48184       3.054148  20.57487       3.073915  -59.56773      37.24253 
1 1 1 11  -2  15 o 243.4228 29.70507 0.000000       0.000000  13.45380       3.106090  ?              ?        
1 1 1 11  -2  16 o 112.3327 36.87438 3.490764       2.929647  1.979491       3.008396  15.77373       61.38525 
1 1 1 11  -2  17 o 280.2573 24.14969 20.86104       3.713119  12.11177       4.812490  80.04805       57.54186 
1 1 1 11  -2  18 o 275.2618 19.76846 15.10451       3.348202  18.72825       3.357816  -30.66483      40.51645 
1 1 1 11  -2  19 o 736.0016 23.00186 121.5565       7.416681  0.000000       0.000000  ?              ?        
1 1 1 11  -2  20 f 275.0234 20.55620 18.51109       3.824885  16.03330       3.216712  18.14291       42.35041 
1 1 1 11  -2  21 o 241.1300 23.80244 15.16008       4.046062  12.31879       3.148331  21.28978       50.42282 
1 1 1 11  -2  22 o 244.8441 21.74277 11.83852       3.407047  15.39355       3.144747  -36.87054      46.68230 
1 1 1 11  -2  23 o 270.4060 20.83728 21.32256       3.657288  13.15743       3.305829  68.51309       43.96550 
1 1 1 11  -2  24 o 187.8285 29.60780 8.272261       3.623075  9.025072       3.107241  -14.60010      61.65583 
1 1 1 11  -2  25 o 228.9983 26.33238 12.10872       3.916623  13.18312       3.469114  -17.68251      57.64882 
1 1 1 11  -2  26 o 246.7403 24.87361 15.85730       4.098931  13.88349       3.485584  10.67160       54.06267 
1 1 1 11  -1  0  o 155.6767 43.84277 8.784356       4.382058  2.824163       4.444701  56.59897       73.25349 
1 1 1 11  -1  1  o 149.8396 43.42837 6.212713       4.282577  4.610092       4.256985  15.66464       74.22982 
1 1 1 11  -1  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  -1  3  o 500.9014 20.84873 61.30548       6.749403  51.54028       6.211890  43.37384       42.18340 
1 1 1 11  -1  4  o 507.6338 20.48692 55.62345       6.447154  59.34245       6.428868  -16.96036      41.45553 
1 1 1 11  -1  5  o 366.8463 22.41517 28.17757       5.010575  32.27303       5.145100  -25.50470      45.65370 
1 1 1 11  -1  6  o 460.8402 20.74961 44.38041       5.880340  50.52897       5.953233  -30.62708      42.06875 
1 1 1 11  -1  7  o 264.7320 18.71552 16.09503       3.060597  15.19501       3.046706  7.866394       38.08510 
1 1 1 11  -1  8  o 239.9586 19.95962 12.18694       2.932055  13.60521       2.956374  -13.75874      40.89082 
1 1 1 11  -1  9  o 597.7329 14.33403 78.20261       5.253376  79.56606       5.378555  -5.025391      28.82441 
1 1 1 11  -1  10 o 358.4912 15.23544 29.33628       3.364359  27.44934       3.396520  12.14880       30.69427 
1 1 1 11  -1  11 o 374.0048 14.74501 32.39985       3.500025  29.46349       3.334359  17.77652       29.64001 
1 1 1 11  -1  12 o 326.0598 15.64659 24.14623       3.186243  22.81730       3.125569  9.282837       31.49722 
1 1 1 11  -1  13 o 251.5540 26.22556 14.18759       2.851279  0.000000       0.000000  ?              ?        
1 1 1 11  -1  14 o 755.6811 14.99778 123.9655       7.008675  127.6086       7.052383  -10.98340      30.10292 
1 1 1 11  -1  15 o 322.4280 16.00068 25.35880       3.327661  20.97075       3.068615  30.79526       32.24894 
1 1 1 11  -1  16 o 559.3690 14.23118 70.62392       5.083581  67.55965       4.796964  12.17096       28.58440 
1 1 1 11  -1  17 o 277.9592 18.73903 16.06725       3.193175  18.26742       3.231514  -18.26227      38.04161 
1 1 1 11  -1  18 o 112.7144 37.18621 4.994132       3.196354  1.024276       2.865202  45.74754       61.08892 
1 1 1 11  -1  19 o 345.2575 15.83621 26.58541       3.478614  26.30506       3.294149  1.438660       31.98749 
1 1 1 11  -1  20 o 506.0945 15.12875 56.68388       5.127940  56.96849       4.435447  -3.094238      30.83004 
1 1 1 11  -1  21 f 162.5357 31.67257 9.761642       3.837344  4.700547       2.643349  57.84251       61.20903 
1 1 1 11  -1  22 o 261.2846 19.54270 14.97658       3.264542  16.00846       3.036867  -10.80409      40.53628 
1 1 1 11  -1  23 o 252.3671 21.41543 14.53066       3.288867  14.77749       3.353940  -1.814102      44.55600 
1 1 1 11  -1  24 o 264.8154 21.26131 15.07380       3.493168  17.41096       3.434146  -21.66641      44.65617 
1 1 1 11  -1  25 o 170.2276 32.22788 9.639330       3.495778  5.540018       3.097355  46.25874       62.49028 
1 1 1 11  -1  26 o 73.73189 32.99140 -3.552472      3.254485  2.612282       2.964082  -34.36839      54.37104 
1 1 1 11  -1  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  0   0  o 400.1000 22.76758 34.64548       5.516107  37.17211       5.745645  -13.93561      46.25697 
1 1 1 11  0   1  o 268.0157 28.12614 17.08691       4.635391  15.68164       4.578236  12.20950       58.55000 
1 1 1 11  0   2  o 114.8729 36.68029 4.127673       2.956707  1.902919       2.941826  24.78601       61.03604 
1 1 1 11  0   3  o 729.3104 21.76438 119.4846       9.895899  118.0539       9.775854  4.195984       43.98290 
1 1 1 11  0   4  o 244.8539 29.63526 13.11060       4.386852  14.37549       4.433015  -12.04770      61.72152 
1 1 1 11  0   5  o 550.3129 20.93497 0.000000       0.000000  67.54610       5.044181  ?              ?        
1 1 1 11  0   6  o 458.0983 14.47301 46.35589       4.086128  46.47827       4.129420  -0.5299988     29.11021 
1 1 1 11  0   7  o 263.2096 18.21840 16.53027       2.966481  14.38527       2.946111  18.88872       37.12219 
1 1 1 11  0   8  o 132.7272 32.02123 3.117668       2.558603  5.285995       2.655782  -29.19775      57.04383 
1 1 1 11  0   9  o 291.9508 17.07145 18.71784       3.081195  19.17472       3.075219  -3.634979      34.55452 
1 1 1 11  0   10 o 325.1770 15.86555 23.57902       3.181881  23.26497       3.199480  2.260773       32.00060 
1 1 1 11  0   11 o 473.8842 13.98151 49.49132       4.146517  49.55519       4.065698  -0.4127197     28.07882 
1 1 1 11  0   12 o 157.5108 28.15851 5.623030       2.770608  5.733988       2.544407  -1.677597      55.13020 
1 1 1 11  0   13 o 311.5529 22.34881 21.57520       3.033840  0.000000       0.000000  ?              ?        
1 1 1 11  0   14 o 997.3928 16.99738 224.1910       10.70863  214.7155       10.33404  21.34454       34.08500 
1 1 1 11  0   15 f 523.0705 13.48391 59.53785       4.408857  60.97667       4.335068  -6.372253      27.06221 
1 1 1 11  0   16 o 336.8860 14.84115 25.15038       3.130324  24.99608       3.058626  0.9372559      29.87602 
1 1 1 11  0   17 o 306.9828 16.95074 19.74532       3.162103  22.06943       3.271403  -17.24228      34.22589 
1 1 1 11  0   18 o 615.3365 14.49033 81.24481       5.487920  85.76563       5.575209  -16.70795      29.11517 
1 1 1 11  0   19 o 296.8691 17.03362 20.68427       3.322608  18.69467       2.956612  14.54242       34.52896 
1 1 1 11  0   20 f 194.0509 22.34957 7.719340       2.738233  9.250541       2.553843  -19.65588      46.89633 
1 1 1 11  0   21 o 99.94417 34.86724 3.041926       3.189801  1.702145       2.323724  22.14411       58.87125 
1 1 1 11  0   22 o 408.4112 16.63711 33.04088       4.717490  40.28569       3.831595  -45.69641      35.57113 
1 1 1 11  0   23 f 223.9392 21.52142 9.845475       3.095859  12.94232       2.828015  -35.48613      46.47903 
1 1 1 11  0   24 o 230.8160 21.64805 11.71688       3.160591  12.93221       2.974643  -14.41972      45.82252 
1 1 1 11  0   25 o 188.8572 27.09645 7.467240       3.232613  9.707569       2.953458  -30.98640      57.24084 
1 1 1 11  0   26 f 154.4574 31.50669 6.940856       3.122969  5.520302       2.745996  14.99644       60.68313 
1 1 1 11  0   27 o 91.83887 35.84356 2.049582       3.260233  1.810731       2.714713  5.512688       58.17147 
1 1 1 11  1   0  o 379.0650 23.86558 35.41136       5.717969  29.37608       5.457744  36.17004       48.67994 
1 1 1 11  1   1  o 126.5968 44.04488 6.144426       4.372279  1.160353       4.113427  44.80062       71.96100 
1 1 1 11  1   2  o 298.7946 25.87403 18.15821       4.730796  22.26778       4.766392  -32.34225      53.66927 
1 1 1 11  1   3  o 92.24550 38.93542 1.147794       3.880297  -0.2721047     3.758723  11.32617       64.84396 
1 1 1 11  1   4  o 285.4847 25.67571 20.40544       4.715693  16.75740       4.308690  28.40573       52.93756 
1 1 1 11  1   5  o 85.35542 33.55172 3.852220       2.671164  -1.514282      2.535321  54.22865       53.91277 
1 1 1 11  1   6  o 243.1719 19.73457 11.99732       2.918253  14.51184       2.985475  -23.95869      40.47224 
1 1 1 11  1   7  o 490.9111 14.15157 51.61052       4.262573  55.00527       4.348657  -15.69540      28.44979 
1 1 1 11  1   8  o 302.5086 16.27041 18.28941       2.951349  22.62526       3.141436  -32.54251      32.92504 
1 1 1 11  1   9  o 194.3107 22.80356 7.627986       2.625525  9.569408       2.773307  -22.92603      47.23590 
1 1 1 11  1   10 o 125.0605 31.89797 3.201090       2.445966  4.192327       2.519774  -13.71763      56.40306 
1 1 1 11  1   11 o 123.9605 31.21049 5.213195       2.406316  1.996058       2.389839  43.85855       53.76324 
1 1 1 11  1   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  1   13 o 472.4977 15.66810 52.57114       4.028785  43.09179       5.464635  48.50449       34.19894 
1 1 1 11  1   14 o 266.1752 16.79029 14.32777       2.800772  16.94356       2.717485  -22.90315      34.18715 
1 1 1 11  1   15 o 293.0401 15.46614 19.18164       2.916777  18.79079       2.698826  2.727661       31.24224 
1 1 1 11  1   16 o 426.3046 13.22618 39.66927       3.556016  40.41533       3.433930  -4.157349      26.57870 
1 1 1 11  1   17 o 666.5204 13.62393 101.4260       5.819024  94.75803       5.463570  22.44196       27.36348 
1 1 1 11  1   18 o 252.7415 17.89844 14.07848       2.845525  14.27924       2.733788  -2.104950      36.34906 
1 1 1 11  1   19 o 414.0567 13.83079 38.79357       3.665388  37.01992       3.440161  9.461395       27.81816 
1 1 1 11  1   20 o 273.7290 16.26662 20.89974       3.000758  13.58738       2.552530  59.83571       33.00220 
1 1 1 11  1   21 f 201.2412 21.57009 8.489679       2.992522  9.642242       2.404393  -16.90193      46.73738 
1 1 1 11  1   22 o 438.8922 15.25459 39.35299       4.850546  45.01707       3.680974  -34.44107      32.83225 
1 1 1 11  1   23 o 158.1576 26.74214 5.889715       2.593635  6.028661       2.471207  -2.727676      53.70350 
1 1 1 11  1   24 o 222.0311 21.34730 9.009035       2.825945  14.06556       2.988866  -53.11865      45.55753 
1 1 1 11  1   25 o 121.4874 35.43074 4.760784       2.941921  3.086439       2.737135  19.51685       60.34985 
1 1 1 11  1   26 o 67.76730 30.61608 -3.239624      2.914047  1.678165       2.597260  -27.10297      50.94782 
1 1 1 11  1   27 o 82.37817 33.68061 0.7822154      3.071167  1.441233       2.482744  0.5158997E-01  54.81773 
1 1 1 11  2   0  f 250.9440 30.14545 14.94679       4.569105  13.86524       4.629027  10.52071       62.81371 
1 1 1 11  2   1  o 372.0839 24.18333 26.35389       5.330286  36.77370       5.802865  -63.42322      49.55610 
1 1 1 11  2   2  o 645.9050 21.51902 91.64149       8.637092  94.60712       8.583065  -10.73535      43.50766 
1 1 1 11  2   3  o 401.1542 22.24910 29.36883       5.241846  44.23981       5.835550  -83.69058      45.44961 
1 1 1 11  2   4  o 193.5945 35.28556 10.48240       4.180525  7.270207       3.988988  34.86214       68.58735 
1 1 1 11  2   5  o 121.8650 34.88770 5.792097       2.802785  1.264712       2.741246  54.73913       57.39021 
1 1 1 11  2   6  o 307.2694 16.92333 20.88768       3.265852  21.04416       3.163062  -1.430542      34.23690 
1 1 1 11  2   7  o 142.3805 30.44848 3.167163       2.608609  6.333960       2.607071  -42.73624      55.50366 
1 1 1 11  2   8  o 617.5110 13.92468 82.72176       5.297419  85.74982       5.371179  -11.10638      27.99851 
1 1 1 11  2   9  o 159.0252 27.64182 6.612590       2.675570  5.145199       2.582594  19.87692       54.40896 
1 1 1 11  2   10 o 429.9656 13.89998 42.75724       3.737939  39.04671       3.668018  19.66248       27.96061 
1 1 1 11  2   11 o 329.4790 15.04680 25.23331       3.063571  22.81502       3.070815  16.90652       30.36721 
1 1 1 11  2   12 o 709.5001 19.89095 0.000000       0.000000  111.5607       6.184155  ?              ?        
1 1 1 11  2   13 o 56.44999 26.46172 -2.381566      2.319366  -0.9218472     2.347557  -10.04737      46.30752 
1 1 1 11  2   14 o 594.1805 13.33170 79.09508       4.989944  76.32358       4.841101  10.53503       26.75430 
1 1 1 11  2   15 o 576.9230 12.94497 74.82566       4.690712  71.69187       4.576808  12.31775       25.97612 
1 1 1 11  2   16 o 166.9809 21.95768 6.032472       2.274874  6.506678       2.167706  -6.986481      45.16269 
1 1 1 11  2   17 o 348.9918 18.59205 0.000000       0.000000  27.01921       2.835788  ?              ?        
1 1 1 11  2   18 o 525.3715 12.93379 60.55830       4.277559  60.98145       4.155309  -1.984131      25.98944 
1 1 1 11  2   19 o 555.5569 19.37839 68.44279       4.715002  0.000000       0.000000  ?              ?        
1 1 1 11  2   20 o 87.52454 32.07227 1.899792       2.365039  1.041051       2.196800  11.87466       53.04985 
1 1 1 11  2   21 o 273.1139 15.10689 19.03979       2.722958  14.66710       2.405313  35.82359       30.56177 
1 1 1 11  2   22 f 159.4164 25.32141 4.230337       2.838702  6.881160       2.145203  -38.68922      52.18964 
1 1 1 11  2   23 o 257.9250 16.13686 14.60807       2.754007  15.24525       2.416715  -7.600342      33.36014 
1 1 1 11  2   24 o 330.3897 20.84977 25.01174       3.006136  0.000000       0.000000  ?              ?        
1 1 1 11  2   25 o 221.6819 20.65988 8.742840       2.764754  14.24024       2.853994  -58.86130      44.70802 
1 1 1 11  2   26 o 113.8544 33.08162 1.380798       2.593790  5.064910       2.370730  -43.90290      54.20143 
1 1 1 11  2   27 o 96.63039 34.01670 5.404344       2.721879  0.8380415E-01  2.376746  57.91199       54.17208 
1 1 1 11  2   28 o 179.6101 36.01764 8.872952       2.738729  0.000000       0.000000  ?              ?        
1 1 1 11  3   0  o 448.8944 22.55847 47.79094       6.376667  42.40218       6.152289  27.15753       45.72010 
1 1 1 11  3   1  o 89.67249 39.18480 -0.2278730     4.159208  -0.4402939     4.098273  2.050629       65.78815 
1 1 1 11  3   2  o 138.8236 35.61322 6.212710       3.173171  3.130489       2.997492  37.63183       62.09048 
1 1 1 11  3   3  o 396.2927 22.65535 31.00410       5.418525  39.76008       5.683187  -50.41644      46.20262 
1 1 1 11  3   4  o 105.6294 41.98490 0.5912787      4.163735  2.502649       4.065548  -13.17619      69.13998 
1 1 1 11  3   5  o 392.7718 15.45617 37.36176       3.864368  31.28031       3.660804  35.12335       31.14825 
1 1 1 11  3   6  o 349.5372 15.93137 28.23287       3.497575  25.99088       3.395185  14.53699       32.12815 
1 1 1 11  3   7  o 130.9023 33.50348 3.889307       2.744360  4.204065       2.719098  -3.962784      59.31595 
1 1 1 11  3   8  o 114.3481 34.60149 1.145961       2.654255  4.931958       2.672971  -45.43185      56.82383 
1 1 1 11  3   9  o 442.6894 14.13925 44.65758       3.933952  42.09937       3.823970  13.04111       28.43715 
1 1 1 11  3   10 o 333.8015 15.20381 25.71412       3.179508  23.72173       3.101727  13.55991       30.66126 
1 1 1 11  3   11 o 208.9299 20.74342 10.18358       2.693321  9.446786       2.614353  8.001114       42.73149 
1 1 1 11  3   12 o 324.3452 15.45897 20.74373       3.189313  25.54115       3.020308  -34.50259      31.58422 
1 1 1 11  3   13 o 510.2255 12.90782 59.26219       4.168239  55.55418       4.001067  16.44092       25.89194 
1 1 1 11  3   14 o 784.9250 14.48756 135.4198       7.031378  135.8494       7.076984  -1.209351      29.06551 
1 1 1 11  3   15 o 323.8435 14.27241 21.65059       2.834077  24.66337       2.886846  -21.28671      28.73508 
1 1 1 11  3   16 o 132.9279 27.84475 4.286900       2.323853  3.904482       2.133100  6.011185       52.21913 
1 1 1 11  3   17 o 193.4539 19.42267 8.558449       2.380915  8.196836       2.225519  3.865326       39.95227 
1 1 1 11  3   18 o 238.6355 16.59445 12.60902       2.532857  12.65919       2.358788  -0.9042358     33.73644 
1 1 1 11  3   19 o 466.6137 12.46866 54.22995       3.882851  43.22605       3.380717  53.03046       25.02560 
1 1 1 11  3   20 o 244.9003 16.14940 13.59246       2.542028  13.09313       2.348759  4.203583       32.78905 
1 1 1 11  3   21 o 175.8932 19.42240 7.469841       2.165283  6.549889       2.011110  11.60648       40.15053 
1 1 1 11  3   22 o 246.2139 15.38610 11.60393       2.537321  14.95053       2.179626  -33.39066      32.70388 
1 1 1 11  3   23 f 66.91382 28.78310 2.325145       2.684669  -1.030764      1.853660  43.15967       50.37090 
1 1 1 11  3   24 o 283.6140 13.98357 16.99679       2.392926  19.12979       2.516903  -16.79080      28.36736 
1 1 1 11  3   25 f 98.59042 31.19200 1.073384       2.168066  3.636727       2.106908  -32.21800      51.10411 
1 1 1 11  3   26 o 138.7207 26.14519 3.767034       2.209135  5.641664       2.127808  -28.66597      50.65737 
1 1 1 11  3   27 o 116.3934 28.56141 3.570691       2.124007  3.373020       1.976854  2.500298       51.47347 
1 1 1 11  3   28 o 70.62770 27.96605 -0.2676403     1.911760  1.888544       1.737965  -20.87418      45.07203 
1 1 1 11  4   0  o 177.5283 30.72305 4.973979       3.206474  9.743744       3.318246  -57.53122      59.50383 
1 1 1 11  4   1  o 362.8152 25.15818 31.18014       5.642813  28.05166       5.611470  20.03711       51.45546 
1 1 1 11  4   2  o 203.8981 38.40767 5.996067       4.430649  14.73548       4.976144  -86.53210      71.84758 
1 1 1 11  4   3  o 284.7798 26.79234 14.18000       4.558418  23.07180       4.806191  -72.92853      56.77081 
1 1 1 11  4   4  o 102.5660 40.55489 3.843446       3.945225  -0.5281308     3.705097  36.97936       66.62643 
1 1 1 11  4   5  o 355.8551 19.72440 24.33674       5.028472  30.52686       3.869701  -44.39914      43.25829 
1 1 1 11  4   6  o 552.6843 14.30940 69.39624       5.002309  65.75938       4.806985  14.73431       28.75685 
1 1 1 11  4   7  o 401.0095 15.00820 36.50598       3.776013  34.72347       3.679402  10.01523       30.21249 
1 1 1 11  4   8  o 161.3995 38.08334 0.000000       0.000000  6.231443       2.652304  ?              ?        
1 1 1 11  4   9  o 516.1263 14.01774 57.45316       4.476091  60.34185       4.491585  -12.80252      28.18297 
1 1 1 11  4   10 o 158.3443 28.12346 5.063696       2.671855  6.552074       2.650692  -20.31491      55.07218 
1 1 1 11  4   11 o 429.4753 13.91073 38.18651       3.679007  43.41275       3.723599  -27.83490      28.01047 
1 1 1 11  4   12 o 482.3636 13.32744 53.29761       4.086882  49.54816       3.888548  17.50381       26.76276 
1 1 1 11  4   13 o 336.0868 14.32542 28.31324       3.081954  21.96520       2.887060  42.98688       28.87675 
1 1 1 11  4   14 o 581.4642 13.03231 72.55879       4.670888  76.26450       4.731051  -14.51843      26.15501 
1 1 1 11  4   15 o 631.9390 13.08482 86.16615       5.097511  89.58507       5.161718  -12.31262      26.25077 
1 1 1 11  4   16 o 395.4525 12.62026 33.14106       3.062756  35.79222       3.121851  -15.28168      25.33259 
1 1 1 11  4   17 o 218.1496 17.30602 9.663691       2.333365  11.47379       2.312219  -19.41240      35.41958 
1 1 1 11  4   18 o 481.0738 12.06275 49.07355       3.596783  52.89666       3.597070  -18.18481      24.21725 
1 1 1 11  4   19 o 529.6323 12.39809 62.85632       4.219831  60.79628       3.941032  8.575623       24.92622 
1 1 1 11  4   20 o 124.7529 28.18041 6.857729       2.269907  1.094973       2.011688  82.86372       46.97554 
1 1 1 11  4   21 o 94.31674 30.05378 2.369562       2.060025  1.681896       1.909910  10.88700       50.50285 
1 1 1 11  4   22 o 180.2201 20.22033 8.239759       1.984602  5.909434       2.570522  34.15022       45.25338 
1 1 1 11  4   23 o 200.0842 22.95722 0.000000       0.000000  9.217421       1.978355  ?              ?        
1 1 1 11  4   24 o 124.9314 25.16315 3.051824       1.963442  4.333840       1.810944  -20.98195      47.67697 
1 1 1 11  4   25 o 316.2014 13.99448 21.89631       2.596543  23.12998       2.905815  -7.309021      28.52072 
1 1 1 11  4   26 o 54.53601 24.80313 -0.5469140     1.854997  -0.5721390     1.818108  0.8606186      41.95020 
1 1 1 11  4   27 o 126.6996 20.87671 4.072847       1.613780  3.608069       1.555231  7.672562       42.17825 
1 1 1 11  4   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  5   0  o 480.6130 16.20219 54.68690       4.948280  47.71057       4.707745  32.90494       32.57755 
1 1 1 11  5   1  o 518.5411 16.26341 63.34328       5.292911  55.82784       5.159347  33.01129       32.73892 
1 1 1 11  5   2  o 94.25716 40.45766 -0.9076822     4.229796  1.125353       4.259923  -13.19026      67.56402 
1 1 1 11  5   3  o 566.3353 21.56112 75.87830       7.711813  67.64996       7.418307  32.70471       43.61290 
1 1 1 11  5   4  f 223.0688 32.11842 11.23920       4.375127  11.78446       4.260041  -6.184372      66.04865 
1 1 1 11  5   5  o 264.0355 27.40998 18.79196       4.605204  13.32653       4.262890  47.45764       57.19687 
1 1 1 11  5   6  o 119.4777 35.73988 4.118290       2.886853  2.563848       2.821664  18.73402       60.53437 
1 1 1 11  5   7  o 259.3600 19.52911 12.13604       3.026812  18.31345       3.219911  -54.88649      40.40239 
1 1 1 11  5   8  o 517.5386 14.10975 58.41116       4.487243  60.04382       4.564889  -7.088165      28.36122 
1 1 1 11  5   9  o 341.8256 15.51745 25.22271       3.290576  26.58886       3.273019  -9.245239      31.31544 
1 1 1 11  5   10 o 308.2111 16.18000 22.68009       3.128923  19.59599       3.038305  22.85431       32.72992 
1 1 1 11  5   11 o 396.2343 14.15072 32.28885       3.397317  37.37849       3.553021  -29.15793      28.48179 
1 1 1 11  5   12 o 360.1863 14.66921 28.67107       3.285672  28.69075       3.255927  -0.1786804     29.52470 
1 1 1 11  5   13 o 256.6474 17.47726 15.39751       2.774519  13.84261       2.757249  14.00307       35.46128 
1 1 1 11  5   14 o 650.0261 13.42809 91.14740       5.373147  94.89794       5.456902  -13.11353      26.94454 
1 1 1 11  5   15 o 447.3180 12.67786 44.34212       3.521082  43.75467       3.507581  2.991638       25.42971 
1 1 1 11  5   16 o 568.5483 12.58934 68.98808       4.394105  73.33782       4.487438  -17.40448      25.26370 
1 1 1 11  5   17 o 327.9767 13.18440 22.61969       2.668554  24.84787       2.685344  -15.56369      26.52602 
1 1 1 11  5   18 o 229.5741 16.16537 11.32390       2.305594  12.05966       2.269601  -7.527008      32.82210 
1 1 1 11  5   19 o 329.8233 13.32827 26.06846       2.821199  22.20919       2.631310  26.51004       26.79970 
1 1 1 11  5   20 o 257.8330 16.01931 9.153671       2.521945  20.59084       2.577896  -104.4105      35.48589 
1 1 1 11  5   21 o 642.3268 12.21824 89.11670       4.871361  92.93674       4.865326  -13.62555      24.54802 
1 1 1 11  5   22 o 207.7900 15.12127 9.063164       1.955983  10.18187       1.916110  -12.70547      30.89338 
1 1 1 11  5   23 o 152.4463 17.91621 4.970015       1.745691  5.532148       1.589214  -9.746826      37.54446 
1 1 1 11  5   24 o 402.3471 11.40423 37.09949       3.528473  35.44399       2.446709  5.079376       24.45235 
1 1 1 11  5   25 o 201.5373 14.10025 8.672101       1.795542  9.564714       1.710846  -10.89832      28.98204 
1 1 1 11  5   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  5   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  5   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  6   0  o 176.3956 31.46116 6.679082       3.308842  7.630487       3.323720  -11.61769      61.52737 
1 1 1 11  6   1  o 254.8260 22.70364 16.55281       3.640056  12.69341       3.468753  34.98294       46.76839 
1 1 1 11  6   2  o 377.7440 26.57662 32.11548       4.375403  0.000000       0.000000  ?              ?        
1 1 1 11  6   3  o 97.30981 40.89141 0.8798572      4.253518  0.2724334      4.113390  5.658478       67.99889 
1 1 1 11  6   4  o 353.0178 20.92330 27.96317       4.084891  27.66444       5.255991  5.605438       44.09361 
1 1 1 11  6   5  o 418.3819 22.42471 38.48183       5.862391  39.88645       5.736932  -8.178467      45.56748 
1 1 1 11  6   6  o 279.6290 27.15448 19.54060       4.888852  16.29041       4.444746  25.47260       56.27608 
1 1 1 11  6   7  o 574.2527 14.55085 75.64388       5.297052  70.45066       5.068770  20.28967       29.25104 
1 1 1 11  6   8  o 140.4023 32.37891 3.938591       2.740945  5.405708       2.784456  -19.32805      58.84797 
1 1 1 11  6   9  o 242.0367 19.78448 14.99336       2.999600  11.37789       2.892432  34.58432       40.76720 
1 1 1 11  6   10 o 427.7159 14.37275 42.16729       3.846549  38.84659       3.770539  17.66534       28.92330 
1 1 1 11  6   11 o 370.6553 14.87900 29.34485       3.407550  31.48771       3.420697  -13.26141      29.98007 
1 1 1 11  6   12 o 74.39256 31.35620 -0.1038555     2.479492  0.4955830      2.462032  -4.965538      52.37994 
1 1 1 11  6   13 o 202.7479 21.10982 8.341107       2.591944  10.10243       2.640985  -20.31552      43.59938 
1 1 1 11  6   14 o 333.0976 14.99879 26.04529       3.024697  22.79280       3.162312  22.67307       30.38022 
1 1 1 11  6   15 o 245.7409 17.34358 13.62734       2.612153  13.13323       2.641778  4.721619       35.15773 
1 1 1 11  6   16 o 281.0658 15.34436 19.53040       2.756677  15.64053       2.582185  31.52130       30.97803 
1 1 1 11  6   17 o 332.1275 13.31122 23.78970       2.749163  24.86696       2.724792  -7.477020      26.77164 
1 1 1 11  6   18 o 359.2692 12.64022 28.95089       2.860641  28.01761       2.766971  5.816010       25.39787 
1 1 1 11  6   19 o 450.8755 12.03246 45.25342       3.434510  44.35611       3.294499  4.382477       24.15417 
1 1 1 11  6   20 o 361.6623 12.80799 31.56842       2.980438  26.52307       2.769001  31.58585       25.73984 
1 1 1 11  6   21 o 315.0004 12.41679 22.63534       2.544123  21.34238       2.315059  8.951385       25.03595 
1 1 1 11  6   22 o 401.5955 10.73005 32.77985       2.631143  38.61546       2.711997  -33.11121      21.58345 
1 1 1 11  6   23 o 66.74789 26.09041 1.015960       1.585897  0.3408861      1.545106  9.119858       43.04762 
1 1 1 11  6   24 o 64.53609 24.95135 1.601475       1.451917  -0.1520290     1.388746  24.39072       40.75790 
1 1 1 11  6   25 o 45.22214 21.00919 -0.9229887     1.198884  -0.4725216     1.830611  -17.61172      37.80305 
1 1 1 11  6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  6   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  6   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  7   0  o 428.0414 16.87066 38.23421       4.432869  42.71774       4.509666  -23.93741      33.94671 
1 1 1 11  7   1  o 146.5627 45.43845 4.917587       3.222973  0.000000       0.000000  ?              ?        
1 1 1 11  7   2  o 416.8762 16.71721 37.46889       4.306129  39.41386       4.322422  -10.69141      33.65944 
1 1 1 11  7   3  o 658.0207 23.85869 96.71200       6.874925  0.000000       0.000000  ?              ?        
1 1 1 11  7   4  o 472.4846 22.06407 56.49475       6.752739  44.31051       6.182778  57.84039       44.71624 
1 1 1 11  7   5  o 358.0780 24.61224 31.48666       5.561836  26.44284       5.314030  31.98517       50.33110 
1 1 1 11  7   6  f 566.4122 21.59710 73.44005       7.745506  70.01786       7.414145  13.01575       43.69567 
1 1 1 11  7   7  o 103.1236 42.24770 2.812941       4.292494  -0.5529258     4.321839  22.85701       69.64757 
1 1 1 11  7   8  o 435.3298 15.28868 40.56087       4.106430  43.41174       4.138171  -14.97638      30.79317 
1 1 1 11  7   9  o 484.5208 14.65730 48.98925       4.340127  55.06849       4.463063  -28.53357      29.49660 
1 1 1 11  7   10 o 536.8929 14.34665 63.41380       4.802323  64.04748       4.745800  -2.810303      28.84253 
1 1 1 11  7   11 o 540.5220 14.26248 62.61830       4.714132  66.59599       4.844507  -16.63812      28.65812 
1 1 1 11  7   12 o 481.6961 14.06060 47.90284       4.087721  54.89887       4.315312  -32.89914      28.24576 
1 1 1 11  7   13 o 487.5757 13.74767 53.24699       4.203296  51.60489       4.106161  7.591187       27.59593 
1 1 1 11  7   14 o 279.9171 23.72905 17.49667       2.886046  0.000000       0.000000  ?              ?        
1 1 1 11  7   15 o 318.0802 14.93399 22.51544       2.957928  22.15238       2.919302  2.568176       30.05524 
1 1 1 11  7   16 o 330.8018 14.58079 21.76465       2.905061  26.81781       3.071211  -34.78918      29.37135 
1 1 1 11  7   17 o 1093.241 17.98512 270.5509       12.47197  258.3519       11.93906  24.77405       36.12054 
1 1 1 11  7   18 o 60.84834 27.14476 -0.8886918     2.131592  -0.2525555     2.034522  -3.370583      46.16733 
1 1 1 11  7   19 o 524.8687 12.26748 60.29562       4.013846  61.03025       3.974703  -3.250977      24.63650 
1 1 1 11  7   20 o 382.6499 12.80009 30.76592       3.041271  33.82689       3.026831  -18.36340      25.75197 
1 1 1 11  7   21 o 89.42481 29.74889 2.746291       1.991326  0.8441367      1.873838  26.86651       49.11413 
1 1 1 11  7   22 o 444.0295 11.06963 43.31972       3.056746  43.71318       3.041366  -2.062225      22.26099 
1 1 1 11  7   23 o 151.6771 19.81351 4.424979       1.820243  6.099284       1.819155  -25.93633      41.16142 
1 1 1 11  7   24 o 326.9574 11.11403 23.97642       2.243348  23.49999       2.258434  3.407104       22.40789 
1 1 1 11  7   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  7   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  7   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  8   0  o 329.9624 19.47271 25.60279       3.984196  22.62600       3.952004  20.77585       39.39545 
1 1 1 11  8   1  o 168.3098 32.55494 6.240267       3.270630  6.820894       3.281403  -7.160645      62.34916 
1 1 1 11  8   2  o 226.5927 24.38965 12.80526       3.424706  10.30834       3.326043  25.68391       50.43980 
1 1 1 11  8   3  o 488.4367 15.97161 53.37362       4.833480  52.02179       4.831900  6.344299       32.10670 
1 1 1 11  8   4  o 224.3892 24.99566 12.89734       3.460504  9.911669       3.381334  31.17847       51.99541 
1 1 1 11  8   5  o 329.4533 26.50126 26.59263       5.385856  22.40870       5.354918  29.75455       54.65730 
1 1 1 11  8   6  o 220.1249 35.83759 9.992322       4.583269  12.86664       4.881554  -28.10590      71.96820 
1 1 1 11  8   7  o 196.3325 37.69333 6.925152       4.580948  11.06460       4.281751  -43.80246      71.96884 
1 1 1 11  8   8  o 152.2901 43.13971 6.657388       4.490179  4.705642       4.061751  20.70801       74.36118 
1 1 1 11  8   9  o 149.1862 32.43395 4.124219       2.979954  6.271279       2.855535  -27.43892      59.69894 
1 1 1 11  8   10 o 76.03806 32.44714 -0.3868232     2.767157  0.4859546      2.639920  -5.090576      54.26828 
1 1 1 11  8   11 o 315.1656 16.78525 21.38680       3.350691  22.61332       3.194395  -9.331573      34.00589 
1 1 1 11  8   12 o 279.0642 17.89761 19.34474       3.193231  15.49785       2.981474  31.35312       36.28732 
1 1 1 11  8   13 o 197.6721 23.29669 8.236794       2.917943  9.258238       2.698579  -12.95306      48.46494 
1 1 1 11  8   14 o 323.4120 22.32087 23.27172       3.146997  0.000000       0.000000  ?              ?        
1 1 1 11  8   15 o 194.4465 22.32859 7.306910       2.635812  9.667441       2.653157  -28.56895      46.34155 
1 1 1 11  8   16 o 135.6557 30.47476 6.548743       2.545358  2.147581       2.460177  59.76604       53.35505 
1 1 1 11  8   17 f 528.7452 13.02659 58.81660       4.167481  64.63585       4.386124  -24.90198      26.16603 
1 1 1 11  8   18 o 242.4934 17.52575 13.27394       2.720399  12.90987       2.527256  2.959213       35.66478 
1 1 1 11  8   19 o 128.5194 31.52080 5.062559       2.616503  2.872225       2.386350  30.66998       55.93067 
1 1 1 11  8   20 o 280.9405 16.73480 17.57003       2.999026  17.47092       2.816029  0.3792419      33.91513 
1 1 1 11  8   21 o 412.6739 12.43520 36.67340       3.175374  38.56459       3.183957  -10.48950      24.99647 
1 1 1 11  8   22 o 77.46078 30.02825 -0.9446798     2.083005  2.752460       2.037159  -39.82381      48.19141 
1 1 1 11  8   23 o 227.1108 16.04144 10.43820       2.292863  12.61613       2.200773  -22.90863      33.11649 
1 1 1 11  8   24 o 117.5724 31.22083 6.469887       4.224452  2.883187       1.775701  43.71726       62.27032 
1 1 1 11  8   25 o 415.2369 16.35786 39.03696       2.973536  0.000000       0.000000  ?              ?        
1 1 1 11  8   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  8   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  9   0  f 529.2388 17.33449 59.78321       5.624366  63.89743       5.743915  -17.67743      34.82560 
1 1 1 11  9   1  o 175.4723 35.61792 6.556461       3.744662  7.694795       3.744095  -13.09509      67.26973 
1 1 1 11  9   2  o 172.3304 34.64585 6.888072       3.533032  6.853353       3.618693  0.3711243      65.71149 
1 1 1 11  9   3  o 257.2417 23.88491 12.35574       3.691845  17.44272       3.848722  -46.01866      49.55149 
1 1 1 11  9   4  o 634.1176 16.23300 86.94262       6.337288  90.63521       6.423794  -13.22321      32.60139 
1 1 1 11  9   5  o 249.3930 23.79333 15.45989       3.705306  12.56159       3.571112  26.91026       49.08950 
1 1 1 11  9   6  o 447.9039 23.18802 41.92270       6.144582  48.22952       6.737781  -30.98492      46.99202 
1 1 1 11  9   7  o 380.3387 25.41391 29.80726       5.795368  35.49266       6.142900  -33.69699      51.85416 
1 1 1 11  9   8  o 179.4602 38.96144 7.878388       3.737427  7.263702       4.932205  6.167114       73.39584 
1 1 1 11  9   9  o 432.3701 23.72127 36.15167       6.241943  47.86224       6.438342  -62.27640      48.50217 
1 1 1 11  9   10 o 299.2024 19.80702 19.48726       3.731592  20.35643       3.583916  -7.135132      40.28869 
1 1 1 11  9   11 o 242.0061 22.61427 13.24240       3.393814  13.01312       3.318599  1.976624       46.45053 
1 1 1 11  9   12 o 603.6969 14.94262 77.32058       5.532828  83.51317       5.660970  -23.32312      30.03296 
1 1 1 11  9   13 o 236.3660 31.30672 0.000000       0.000000  12.70614       3.166080  ?              ?        
1 1 1 11  9   14 o 453.0632 17.75809 48.79499       4.311437  38.47959       6.107331  56.28775       39.98160 
1 1 1 11  9   15 o 267.0165 19.14503 18.02430       3.274464  13.94312       3.038832  34.85968       38.92780 
1 1 1 11  9   16 o 489.3900 14.25397 57.81462       4.518654  48.59200       4.150018  42.58105       28.61752 
1 1 1 11  9   17 o 358.8799 15.26595 26.97188       3.377015  29.99965       3.404657  -19.34082      30.76549 
1 1 1 11  9   18 o 355.5603 14.69093 29.50727       3.285248  26.49671       3.183688  19.25739       29.58077 
1 1 1 11  9   19 o 379.2675 14.43691 32.91821       3.349732  30.58777       3.432449  14.25143       29.09612 
1 1 1 11  9   20 x ?        ?        -12.44244      3.009938  0.000000       0.000000  ?              ?        
1 1 1 11  9   21 o 124.7406 33.92283 2.429206       2.762436  4.846149       2.629793  -29.62524      58.13841 
1 1 1 11  9   22 o 170.3526 24.55883 7.516466       2.629119  5.995539       2.424047  19.54581       50.30350 
1 1 1 11  9   23 o 451.1258 12.81820 45.17725       3.601821  45.23101       3.565345  -0.3923340     25.83163 
1 1 1 11  9   24 o 130.4955 24.90459 5.257819       1.961394  2.916253       1.924099  36.80777       47.35328 
1 1 1 11  9   25 o 204.2593 13.69156 8.574883       1.770143  10.13759       1.682749  -18.51283      28.28827 
1 1 1 11  9   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  9   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  10  0  o 209.9343 30.56592 10.37039       3.920335  9.703349       3.809440  7.023514       62.22250 
1 1 1 11  10  1  o 218.5639 29.38053 11.70544       3.910399  9.939692       3.855397  18.69411       60.30524 
1 1 1 11  10  2  o 641.0752 16.81710 92.63913       6.797184  88.71189       6.572321  13.78979       33.75595 
1 1 1 11  10  3  o 96.89450 38.42177 1.755298       3.501750  0.6475329      3.376429  10.81533       63.68352 
1 1 1 11  10  4  o 452.0050 17.20200 42.64088       4.722282  47.79006       4.912197  -25.87433      34.59546 
1 1 1 11  10  5  o 325.9022 19.78191 24.75869       4.061944  22.45863       3.903488  15.99567       40.01390 
1 1 1 11  10  6  o 244.7989 24.58916 12.65995       3.638522  14.27698       3.730069  -15.28011      50.68119 
1 1 1 11  10  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  10  8  o 709.5197 23.14380 111.0597       10.10622  112.9622       10.24040  -5.898499      46.69362 
1 1 1 11  10  9  o 783.2677 35.18548 0.000000       0.000000  138.9682       12.05771  ?              ?        
1 1 1 11  10  10 o 253.8537 36.60961 21.50697       5.991712  9.703600       5.273822  102.6775       73.87285 
1 1 1 11  10  11 o 513.6476 23.40872 60.47522       7.621166  57.08368       7.269352  14.50836       47.30672 
1 1 1 11  10  12 o 80.30636 34.86695 -0.8541778     3.160859  0.3523323      3.292026  -10.61256      58.79127 
1 1 1 11  10  13 o 159.5673 45.15811 0.000000       0.000000  5.974614       3.302256  ?              ?        
1 1 1 11  10  14 o 254.8693 30.79378 14.71375       3.372857  0.000000       0.000000  ?              ?        
1 1 1 11  10  15 o 456.7126 15.19936 46.26110       4.290044  45.78095       4.310242  2.435699       30.53715 
1 1 1 11  10  16 o 432.4595 14.73108 42.01499       3.975882  40.56784       3.916867  7.587372       29.60315 
1 1 1 11  10  17 o 156.0346 33.16690 6.189394       3.197671  5.265047       3.031511  11.70018       61.96883 
1 1 1 11  10  18 o 674.7270 15.04051 99.18670       6.217478  101.9868       6.375830  -9.249329      30.24371 
1 1 1 11  10  19 o 188.9658 28.13949 9.636846       3.254600  6.811211       3.144315  33.79683       57.06740 
1 1 1 11  10  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  10  21 o 107.2033 36.00567 4.872110       2.930655  0.5415308      2.731975  48.89260       58.35486 
1 1 1 11  10  22 o 342.8503 15.71653 26.21187       3.357382  26.19048       3.310424  -0.1651001E-01 31.79188 
1 1 1 11  10  23 o 146.8312 34.79790 2.528477       3.062732  8.384153       3.182143  -69.09161      59.78584 
1 1 1 11  10  24 o 134.9911 28.05444 4.863035       2.318094  4.046086       2.229378  11.65886       53.07076 
1 1 1 11  10  25 o 161.6084 19.45715 5.492632       1.891198  6.679111       1.932190  -17.13916      40.91713 
1 1 1 11  10  26 o 182.1316 15.78771 6.225942       1.761606  8.973968       1.770620  -35.93268      33.54302 
1 1 1 11  10  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  10  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  10  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  11  0  o 374.6553 20.01687 29.93096       4.647690  32.33539       4.622739  -14.85956      40.47685 
1 1 1 11  11  1  o 308.3456 22.09500 22.72355       4.220582  19.61785       4.176104  23.31342       44.99458 
1 1 1 11  11  2  o 396.0016 18.90838 33.49291       4.572764  35.94437       4.692324  -14.06049      38.10236 
1 1 1 11  11  3  o 315.5551 21.31299 21.94295       4.128397  22.26636       4.166759  -2.301453      43.18675 
1 1 1 11  11  4  o 269.6973 23.18332 15.17349       3.825235  17.26552       3.856846  -18.07184      47.44920 
1 1 1 11  11  5  o 83.19830 36.00528 0.9121825      3.399676  -1.419461      3.432097  15.94269       60.55745 
1 1 1 11  11  6  o 935.0511 18.16653 189.9713       10.41449  196.0319       10.66427  -14.54700      36.49537 
1 1 1 11  11  7  o 357.5531 19.80167 30.82560       4.362205  25.82300       4.387525  32.37384       40.20050 
1 1 1 11  11  8  o 439.2372 17.89566 42.67532       4.881106  42.64296       4.850603  0.1236267      36.02074 
1 1 1 11  11  9  o 730.5583 23.47887 128.2669       10.95882  109.8597       10.32241  56.73517       47.32878 
1 1 1 11  11  10 o 326.8584 27.46336 27.04575       5.640573  21.12236       5.401095  41.79755       56.52048 
1 1 1 11  11  11 o 489.6134 19.43546 49.10343       5.107652  60.91904       7.198953  -51.26242      40.26958 
1 1 1 11  11  12 o 470.3721 22.57594 52.48266       6.737314  46.08277       6.410864  30.74469       45.58930 
1 1 1 11  11  13 o 100.0286 42.22426 0.000000       0.000000  0.3704576      3.175588  ?              ?        
1 1 1 11  11  14 o 249.1793 23.95358 13.74989       3.694233  14.05192       3.620817  -3.077896      49.24330 
1 1 1 11  11  15 o 91.37916 37.41991 1.613460       3.491945  -0.1558940E-01 3.272910  15.81190       62.25568 
1 1 1 11  11  16 o 166.7026 37.36193 7.377406       3.765655  5.729548       3.769808  18.62733       68.57001 
1 1 1 11  11  17 o 380.8166 18.58648 30.49752       4.307856  34.05768       4.450409  -21.22372      37.55637 
1 1 1 11  11  18 o 301.4605 22.63030 16.14908       4.103842  24.99842       4.305455  -68.01685      47.15342 
1 1 1 11  11  19 o 444.6427 17.45422 48.48515       4.908394  39.54716       4.707670  45.78323       35.24492 
1 1 1 11  11  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  11  21 o 218.1754 34.05281 0.000000       0.000000  11.23651       3.152418  ?              ?        
1 1 1 11  11  22 o 313.1565 17.39636 19.58934       3.399906  24.27195       3.333268  -35.08643      35.69058 
1 1 1 11  11  23 o 258.8804 18.66851 15.87436       3.041264  14.55308       2.918191  11.23248       38.31770 
1 1 1 11  11  24 o 83.19101 32.43577 0.6892930      2.447899  1.799019       2.381501  -10.06303      52.99985 
1 1 1 11  11  25 o 95.71683 32.72356 2.730037       2.332296  1.753199       2.337823  11.11520       53.84736 
1 1 1 11  11  26 o 184.3259 15.89869 7.141694       1.860282  8.369575       1.745448  -17.07620      33.52982 
1 1 1 11  11  27 o 59.27646 23.13186 0.1958522      1.094927  1.349064       1.427399  -20.93524      38.63289 
1 1 1 11  11  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  11  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  11  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  12  0  o 304.4185 23.70219 19.59731       4.362837  21.88112       4.522682  -17.07541      48.34833 
1 1 1 11  12  1  o 506.9893 25.63292 0.000000       0.000000  57.35179       5.681811  ?              ?        
1 1 1 11  12  2  o 100.0699 39.44205 -0.1349318     3.593286  2.867882       3.611564  -24.79469      64.96494 
1 1 1 11  12  3  o 89.76849 37.71229 0.8369135      3.516475  -0.1897273     3.595371  6.482811       62.95345 
1 1 1 11  12  4  o 191.0654 32.34159 9.099791       3.650357  7.598966       3.744579  17.42189       64.03368 
1 1 1 11  12  5  o 156.1569 37.05961 5.698622       3.531204  5.681035       3.540126  0.1795807      67.01406 
1 1 1 11  12  6  f 183.0964 32.21181 9.163795       3.596208  6.337468       3.457943  33.19037       62.84613 
1 1 1 11  12  7  o 229.8538 25.65440 10.28035       3.575286  13.48264       3.616249  -32.77094      53.28399 
1 1 1 11  12  8  o 473.0216 17.78784 45.83316       5.216670  53.00123       5.203552  -34.82074      35.88182 
1 1 1 11  12  9  o 608.0792 17.40285 85.11120       6.655353  78.33218       6.464174  25.29974       34.96026 
1 1 1 11  12  10 o 315.2625 22.90735 20.12270       4.424798  24.18048       4.474186  -29.83966      46.76041 
1 1 1 11  12  11 o 367.8707 26.74924 30.54911       6.076226  29.94655       6.048692  3.750214       54.48404 
1 1 1 11  12  12 o 312.0062 29.14511 23.69347       5.620844  20.15536       5.531413  26.46954       60.16767 
1 1 1 11  12  13 o 224.4113 54.31234 4.301950       7.141034  21.71600       7.868484  -132.4290      90.54385 
1 1 1 11  12  14 o 123.8842 53.53821 -3.628355      7.387854  3.965459       7.683827  -38.00786      89.52344 
1 1 1 11  12  15 o 90.42751 38.59179 -0.7167168     3.851795  0.9239112      3.792970  -10.40182      64.50806 
1 1 1 11  12  16 o 696.1990 17.66270 96.44958       7.143474  121.7822       8.211104  -80.98840      35.54255 
1 1 1 11  12  17 o 480.5620 18.16226 46.58652       5.180623  56.84832       5.660094  -47.92456      36.62243 
1 1 1 11  12  18 o 190.8071 35.27900 8.707150       4.061769  8.358164       3.983197  3.730469       68.72910 
1 1 1 11  12  19 o 481.2970 18.24225 51.35332       5.413786  51.50309       5.459541  -0.6152649     36.78427 
1 1 1 11  12  20 f 269.1602 25.06604 15.17988       4.036918  17.80775       4.245046  -22.11861      51.87685 
1 1 1 11  12  21 o 78.69836 34.89252 0.9750097      3.311391  -2.173559      3.465346  18.10899       58.61327 
1 1 1 11  12  22 o 166.9255 31.60576 6.913135       3.399276  6.543181       2.953333  2.785751       61.78717 
1 1 1 11  12  23 o 298.5123 18.09690 19.39348       3.359118  20.92880       3.312027  -12.30811      37.07627 
1 1 1 11  12  24 o 100.5881 34.99224 1.384572       2.719084  3.445472       2.631519  -20.96297      57.09047 
1 1 1 11  12  25 o 183.9208 23.44015 7.276669       2.618172  8.869134       2.609052  -20.90492      49.81295 
1 1 1 11  12  26 o 287.7725 19.42742 0.000000       0.000000  19.37041       2.437883  ?              ?        
1 1 1 11  12  27 o 130.3474 23.40423 3.530077       1.858750  4.874848       1.788968  -22.82041      46.34752 
1 1 1 11  12  28 o 44.59294 20.41757 0.7808866E-01  1.112490  -1.404809      1.526730  4.013851       34.49630 
1 1 1 11  12  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  12  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  13  0  o 465.3954 21.95553 51.91480       6.561446  44.77483       6.104413  34.44824       44.32342 
1 1 1 11  13  1  o 597.4730 20.01442 79.96828       7.464353  78.19873       7.351671  6.618713       40.29108 
1 1 1 11  13  2  o 336.1453 26.06497 23.59867       5.325493  27.13599       5.462256  -24.20773      53.32722 
1 1 1 11  13  3  o 570.7834 19.59977 72.90108       6.979685  71.44770       6.880126  5.683228       39.45964 
1 1 1 11  13  4  o 333.8648 25.82699 24.91670       5.319166  24.95191       5.295503  -0.3086853     52.70414 
1 1 1 11  13  5  o 83.20690 38.42799 -3.819438      4.647589  -1.123318      4.635297  -12.95183      66.34416 
1 1 1 11  13  6  o 187.2804 42.46554 10.91581       4.914117  5.796205       4.729828  50.92006       76.52240 
1 1 1 11  13  7  o 563.8990 19.62841 69.07542       6.838221  71.61288       6.872940  -10.27966      39.49452 
1 1 1 11  13  8  o 179.3115 44.48310 7.528125       4.921365  7.669021       4.926528  -1.377380      79.48463 
1 1 1 11  13  9  o 356.2776 26.20044 28.94865       5.729809  27.76373       5.770330  7.850189       53.39435 
1 1 1 11  13  10 o 418.7138 23.28051 32.80424       5.732563  46.60590       6.362591  -74.53787      47.26006 
1 1 1 11  13  11 o 228.1817 37.44394 16.19078       5.016283  7.524840       5.222678  82.97945       73.57035 
1 1 1 11  13  12 o 343.2271 29.86854 21.61989       6.647780  30.53250       5.994860  -64.13028      64.50804 
1 1 1 11  13  13 o 226.2383 46.04583 14.76212       6.100705  9.321170       6.393713  48.09781       86.39116 
1 1 1 11  13  14 o 318.7131 34.49267 24.46404       6.445102  21.74778       7.012333  22.74472       72.73631 
1 1 1 11  13  15 o 277.0878 55.55926 18.52039       8.825160  19.32788       9.666146  -3.543793      106.8510 
1 1 1 11  13  16 o 382.5746 41.09675 31.86494       9.458386  36.65930       9.748814  -28.63541      86.86873 
1 1 1 11  13  17 o 160.5723 46.50724 6.368720       4.805769  6.045969       4.996012  2.252838       79.69008 
1 1 1 11  13  18 o 300.4433 27.52871 20.06856       4.913329  20.84681       5.250635  -4.759277      56.91859 
1 1 1 11  13  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  13  20 o 242.4544 28.02282 13.83621       4.173440  13.21809       4.101759  5.670258       58.57967 
1 1 1 11  13  21 o 265.4660 26.52468 14.65482       4.249175  17.90897       4.372481  -28.52730      55.68837 
1 1 1 11  13  22 o 67.55589 31.41261 0.4702175      3.234301  -3.604876      3.131634  24.23963       54.22679 
1 1 1 11  13  23 o 316.9532 19.33505 19.90286       3.757645  25.97873       3.809750  -44.70999      40.09469 
1 1 1 11  13  24 o 74.40585 32.64429 -0.9448569E-01 3.104390  0.2037570      2.716024  2.522194       54.05758 
1 1 1 11  13  25 o 133.7304 32.81873 3.801673       2.775735  5.480445       2.633551  -21.79307      58.60792 
1 1 1 11  13  26 o 329.7750 14.97816 25.49618       3.255702  24.34705       2.889093  4.709473       30.88078 
1 1 1 11  13  27 o 109.3490 34.51787 2.588172       2.726636  4.169819       2.521662  -17.38322      56.87551 
1 1 1 11  13  28 o 169.9963 17.87442 7.199537       1.843262  6.551048       1.870498  9.773483       38.30885 
1 1 1 11  13  29 o 243.7127 12.38413 14.19092       2.317936  13.35422       1.604971  -1.252136      27.32705 
1 1 1 11  13  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  14  0  o 606.3471 22.86767 82.80274       8.603382  80.86489       8.568320  7.288574       46.17170 
1 1 1 11  14  1  o 215.9327 47.43829 11.19503       6.167131  11.03145       6.193446  1.451538       88.01093 
1 1 1 11  14  2  o 473.9638 25.60164 49.44635       7.429496  50.81876       7.570877  -6.385223      51.87571 
1 1 1 11  14  3  o 478.2162 24.10191 47.00464       6.910467  55.49652       7.364634  -39.95078      48.79804 
1 1 1 11  14  4  o 404.6974 25.77644 43.55795       6.457576  29.83369       6.417296  79.11423       53.55631 
1 1 1 11  14  5  o 147.2073 49.52364 5.346036       5.236659  4.254373       5.463275  7.193817       82.30031 
1 1 1 11  14  6  o 283.0177 32.07203 17.14688       5.352072  19.40847       5.730241  -17.52954      66.58478 
1 1 1 11  14  7  o 100.6767 43.61315 4.074268       4.947126  -4.803754      5.100219  49.36142       72.55508 
1 1 1 11  14  8  o 187.0567 44.06480 8.997671       4.920106  7.557284       5.144053  13.64967       79.85300 
1 1 1 11  14  9  o 350.8417 27.21135 31.27952       5.886066  23.95867       5.865705  48.88043       56.27402 
1 1 1 11  14  10 o 278.2726 33.15165 19.87461       5.423069  15.07581       5.818122  42.45230       70.02137 
1 1 1 11  14  11 o 497.1845 22.22802 51.18359       6.505872  59.64916       7.227033  -37.63901      44.91502 
1 1 1 11  14  12 o 119.5052 46.83479 3.007121       4.856838  1.202456       5.278100  8.419327       77.12480 
1 1 1 11  14  13 o 388.0848 25.22153 30.83079       5.834519  37.13311       6.266305  -36.45346      51.37051 
1 1 1 11  14  14 f 419.3814 26.25230 43.95086       7.460134  36.41087       6.281475  37.83444       53.67505 
1 1 1 11  14  15 o 290.5887 36.24905 19.04891       6.072304  20.23041       6.769319  -6.179901      76.08106 
1 1 1 11  14  16 o 84.70409 39.74352 -3.411464      4.676327  -3.446266      6.215397  -17.71047      69.88757 
1 1 1 11  14  17 o 171.7731 67.26792 1.736061       9.946470  10.60402       10.96833  -45.60272      109.8933 
1 1 1 11  14  18 o 140.7253 60.86812 1.366599       9.214258  0.3039156      10.39500  -3.443787      100.6049 
1 1 1 11  14  19 o 124.1274 47.54131 -0.1269854     4.738461  7.121819       5.607855  -57.45904      78.10087 
1 1 1 11  14  20 o 143.1451 48.05846 1.377352       4.780824  9.449099       5.334229  -66.91142      77.93404 
1 1 1 11  14  21 o 82.81606 38.01220 -0.6369913     4.415228  -2.561475      4.473340  8.643288       64.35503 
1 1 1 11  14  22 o 503.9767 27.82299 0.000000       0.000000  59.56604       6.126707  ?              ?        
1 1 1 11  14  23 o 145.3916 38.21151 3.478566       3.482272  7.641210       3.499337  -44.99886      65.66924 
1 1 1 11  14  24 o 186.8692 31.52477 10.57209       3.455626  7.070915       3.597495  42.73849       63.74511 
1 1 1 11  14  25 o 244.8295 21.37180 12.10379       3.233768  16.18310       3.193199  -41.10396      46.22621 
1 1 1 11  14  26 o 101.2945 35.23492 3.407719       3.056623  2.435973       2.461756  10.96016       57.89013 
1 1 1 11  14  27 o 136.9706 38.76893 6.733498       3.324398  4.781652       3.572649  20.97202       65.56728 
1 1 1 11  14  28 o 166.9821 22.72736 6.779281       2.468934  7.183314       2.150191  -12.22171      49.46362 
1 1 1 11  14  29 f 154.3067 21.40421 5.237502       1.751258  7.429711       2.376247  -19.60320      46.79717 
1 1 1 11  15  0  o 184.8365 63.40458 8.275596       6.199974  0.000000       0.000000  ?              ?        
1 1 1 11  15  1  o 351.0112 32.57925 33.01411       6.892484  22.75383       7.139709  71.00720       69.79221 
1 1 1 11  15  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  15  3  o 259.2598 41.00652 21.28066       6.390400  10.04285       6.361188  95.75143       81.43855 
1 1 1 11  15  4  o 226.3570 47.52402 12.25418       6.226336  12.18585       6.722502  0.9826355      89.53616 
1 1 1 11  15  5  o 241.4081 40.49903 15.46921       5.772097  11.68239       5.931507  35.05873       80.71365 
1 1 1 11  15  6  o 610.9810 21.40107 85.25288       7.990815  80.55445       8.210803  18.15582       43.23695 
1 1 1 11  15  7  o 473.0553 22.85812 52.45837       6.587496  47.14697       6.792772  26.46164       46.43779 
1 1 1 11  15  8  o 312.5054 29.58576 20.32014       5.495001  24.14384       5.856258  -27.54602      61.18391 
1 1 1 11  15  9  o 381.3025 26.13739 33.10432       6.128046  32.15335       6.161856  5.918365       53.31475 
1 1 1 11  15  10 o 320.6402 30.33621 21.48528       5.797579  25.38512       6.141508  -27.43091      62.81828 
1 1 1 11  15  11 o 444.5149 24.13886 46.58236       6.579064  41.74050       6.684428  25.56088       49.12846 
1 1 1 11  15  12 o 225.0890 40.38187 10.30899       5.334258  13.75309       5.533735  -32.33127      79.16712 
1 1 1 11  15  13 o 333.7336 28.85247 25.33829       5.798322  25.15528       6.037920  2.262756       59.60101 
1 1 1 11  15  14 f 422.8716 24.75992 41.60135       6.457552  38.67484       6.475502  16.15164       50.42893 
1 1 1 11  15  15 o 258.8354 37.08818 17.50622       5.683835  13.58468       5.891693  36.10564       76.67735 
1 1 1 11  15  16 o 113.9223 47.76776 0.9455098      5.948207  0.9875922      5.457534  4.348969       79.23859 
1 1 1 11  15  17 o 278.5729 39.41910 18.78960       6.513242  17.62910       6.735807  10.86804       81.86410 
1 1 1 11  15  18 o 65.05073 32.80101 -6.432327      6.158016  -20.23307      6.196987  28.38180       62.01808 
1 1 1 11  15  19 o 142.7389 63.39767 -0.3628449     10.45495  2.019673       12.19844  -16.04390      104.1993 
1 1 1 11  15  20 o 320.6067 60.76294 41.96653       12.06531  16.07423       11.26086  153.6056       113.4356 
1 1 1 11  15  21 o 253.8056 33.48753 13.66526       5.089878  17.53815       5.199457  -35.48088      71.15123 
1 1 1 11  15  22 o 499.4695 21.08157 52.62973       6.263794  62.54433       6.803723  -42.53726      43.27217 
1 1 1 11  15  23 o 122.3838 50.61562 0.000000       0.000000  3.601046       4.426191  ?              ?        
1 1 1 11  15  24 o 102.8812 41.34110 -1.550290      3.927653  6.967403       4.146956  -58.75732      65.71996 
1 1 1 11  15  25 o 108.2824 38.50417 3.677999       3.218540  2.790585       3.283692  7.660423       62.30869 
1 1 1 11  15  26 o 68.60842 30.87653 -0.1958637E-01 3.152995  -0.1202914     2.481934  7.370125       51.08318 
1 1 1 11  15  27 o 252.2236 21.72254 13.76236       3.961506  16.80682       2.976892  -52.55022      53.45582 
1 1 1 11  15  28 o 74.45873 31.26850 1.162998       2.723227  1.105747       2.234049  3.654427       50.16756 
1 1 1 11  15  29 o 98.07579 34.22352 2.660264       2.211735  3.943571       3.147053  -9.553474      55.78215 
1 1 1 11  16  0  o 351.9984 33.01292 28.47024       6.938080  28.90179       7.326390  -0.6708679     69.26140 
1 1 1 11  16  1  o 365.6087 32.00668 23.61686       6.872887  39.11022       7.545775  -97.13947      67.81953 
1 1 1 11  16  2  o 147.8390 52.12463 8.164173       5.852869  1.279886       6.044816  47.38068       84.52396 
1 1 1 11  16  3  o 118.1401 49.06229 -1.216219      5.723158  4.057283       6.127678  -33.99904      81.33994 
1 1 1 11  16  4  o 317.3535 54.83809 0.000000       0.000000  24.33420       7.357563  ?              ?        
1 1 1 11  16  5  o 137.9031 51.57034 8.003299       5.780981  -1.339088      6.110805  59.58640       82.67387 
1 1 1 11  16  6  o 207.4844 48.44022 12.42842       6.067337  8.213164       6.175604  36.76064       87.47968 
1 1 1 11  16  7  o 197.1415 50.04455 8.364865       6.020267  10.54454       6.245399  -18.97362      88.80510 
1 1 1 11  16  8  o 201.9202 48.93102 11.12533       5.755172  8.331598       6.428385  23.62563       87.81235 
1 1 1 11  16  9  o 178.7665 49.44700 5.584756       5.526866  10.14870       5.820412  -39.98474      84.98691 
1 1 1 11  16  10 o 175.9587 50.57839 5.944948       5.743148  9.168389       5.887020  -27.29468      86.43651 
1 1 1 11  16  11 o 176.7655 50.34692 5.470504       5.566030  10.11531       6.035028  -40.23045      86.05490 
1 1 1 11  16  12 o 289.7910 35.82045 21.20642       6.098222  17.34737       6.528262  33.75125       75.61079 
1 1 1 11  16  13 o 227.7674 57.17657 12.98877       5.702978  0.000000       0.000000  ?              ?        
1 1 1 11  16  14 o 249.9781 41.53798 18.91855       6.001565  9.975963       6.453383  79.24931       82.24170 
1 1 1 11  16  15 o 218.2078 48.12357 14.51263       5.691356  6.859679       7.272802  63.17680       87.13454 
1 1 1 11  16  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  16  17 o 86.43606 40.47061 -4.358139      5.067098  -1.696730      5.886256  -20.00603      70.36576 
1 1 1 11  16  18 o 236.7899 40.60310 10.58211       5.523839  17.17462       6.005160  -58.16402      80.58868 
1 1 1 11  16  19 o 177.0175 52.06659 7.060170       5.862204  9.692680       6.363886  -20.78160      88.65927 
1 1 1 11  16  20 o 73.99852 36.28039 -7.251742      5.552176  -6.068246      5.780745  -5.695313      63.88509 
1 1 1 11  16  21 o 623.2802 37.63299 98.10069       13.75918  94.67458       15.33312  33.60388       82.87749 
1 1 1 11  16  22 o 152.8519 63.17240 9.951818       9.304169  4.290981       10.24647  19.32387       97.72406 
1 1 1 11  16  23 o 131.6884 45.74525 6.176735       4.736763  4.283120       4.418794  14.08838       74.03048 
1 1 1 11  16  24 o 90.91534 39.70502 0.5265560      4.093086  1.532560       4.389318  -7.202080      64.12439 
1 1 1 11  16  25 o 117.2414 41.08926 4.068512       3.687481  4.281109       3.695086  -1.722626      66.14591 
1 1 1 11  16  26 o 72.99314 33.24107 1.736508       3.575853  -1.368022      3.098750  19.73154       54.73851 
1 1 1 11  16  27 o 102.7066 37.78298 7.924723       3.293822  -0.5589607     3.048391  70.28239       58.19414 
1 1 1 11  16  28 o 104.5407 37.07108 3.734378       3.650530  3.728059       2.621445  -2.916359      58.93573 
1 1 1 11  16  29 o 55.70126 26.98536 -2.309424      2.633931  -0.8933159     3.213232  -10.54608      45.35995 
1 1 1 11  17  0  o 282.5751 55.94078 0.000000       0.000000  20.96655       6.688225  ?              ?        
1 1 1 11  17  1  o 270.5066 40.56766 24.15883       6.895183  12.12056       6.335540  97.45766       82.50196 
1 1 1 11  17  2  o 132.3111 51.59747 4.906388       6.111776  1.515497       6.107517  20.76283       84.28085 
1 1 1 11  17  3  o 370.4836 30.58362 39.72153       7.117887  23.70183       6.823694  101.5168       65.57726 
1 1 1 11  17  4  o 332.4979 33.05098 29.34030       6.712834  21.41048       6.740813  57.30652       70.17106 
1 1 1 11  17  5  o 193.3186 52.50565 10.54573       6.228172  7.686018       6.715273  22.22121       91.10851 
1 1 1 11  17  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  17  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  17  8  o 138.6397 52.33754 -1.914307      5.829847  10.53463       6.525303  -87.34525      83.95035 
1 1 1 11  17  9  o 161.3529 51.73338 9.882071       5.625923  1.631673       6.130678  60.14221       83.77334 
1 1 1 11  17  10 o 109.4192 47.25279 -0.1976978     5.943039  0.2317337      5.777514  -0.6132965     78.90964 
1 1 1 11  17  11 o 346.6241 32.74920 29.76594       6.812146  24.84097       7.114043  35.19534       68.84769 
1 1 1 11  17  12 o 119.7035 50.01143 1.400021       6.020739  0.9603855      6.396336  -0.9104614     82.79095 
1 1 1 11  17  13 o 103.6056 46.82050 -0.3036253     6.274179  -3.408912      6.572409  10.54252       79.16303 
1 1 1 11  17  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  17  15 x ?        ?        -26.77028      6.954638  0.000000       0.000000  ?              ?        
1 1 1 11  17  16 o 193.4828 55.45538 12.94900       6.796335  5.952459       7.220131  51.07372       93.28396 
1 1 1 11  17  17 o 151.7724 55.24858 6.216837       6.498549  4.577912       7.006499  8.000305       90.09401 
1 1 1 11  17  18 o 213.2951 52.18376 15.62284       6.858564  8.471208       6.835314  56.54199       92.34748 
1 1 1 11  17  19 o 252.5198 45.03014 21.24742       6.859160  11.65806       6.732475  79.38011       88.32488 
1 1 1 11  17  20 o 103.9689 46.10255 4.177975       5.940701  -3.565724      5.884793  35.30010       75.87125 
1 1 1 11  17  21 o 168.7099 55.73705 10.97742       6.990886  6.789972       6.582939  25.98393       90.83038 
1 1 1 11  17  22 o 218.2858 50.88464 13.18698       6.916294  15.56535       6.618407  -21.34761      93.26401 
1 1 1 11  17  23 o 93.45600 43.46125 0.8275971      4.863702  -5.171997      9.288873  -4.597885      71.16587 
1 1 1 11  17  24 o 100.1921 47.49383 2.897896       7.834647  -3.855889      7.979784  15.68728       75.42511 
1 1 1 11  17  25 o 102.7436 41.83897 1.519675       3.978823  4.996747       4.446007  -21.35356      66.03958 
1 1 1 11  17  26 o 88.99418 37.86848 3.211516       4.165876  1.261728       3.304275  13.44792       60.08241 
1 1 1 11  17  27 o 93.38995 37.83327 3.455534       3.806724  2.148219       3.112775  9.316101       59.50515 
1 1 1 11  17  28 o 70.08272 34.65263 -2.898818      3.919361  0.000000       0.000000  ?              ?        
1 1 1 11  17  29 o 93.86012 36.14402 6.327059       3.234109  0.9368694      2.760921  38.77845       56.67202 
1 1 1 11  18  0  o 151.2602 68.39315 2.157436       13.82548  3.071185       13.61062  -1.634338      108.6090 
1 1 1 11  18  1  o 330.3087 35.77934 29.77131       7.425570  22.77809       7.019865  48.05927       76.84380 
1 1 1 11  18  2  o 105.3322 46.80910 0.7291807      6.205626  -1.594376      6.054172  11.86815       77.93159 
1 1 1 11  18  3  o 116.8405 49.30438 0.5039141      6.175020  2.066232       6.066370  -7.323486      81.04920 
1 1 1 11  18  4  o 272.0538 39.22999 14.05208       6.324336  21.51663       6.539918  -62.35980      81.26846 
1 1 1 11  18  5  o 165.3113 53.93641 6.769749       6.298298  6.696338       6.413147  0.1331940      89.78857 
1 1 1 11  18  6  o 103.0150 46.21196 0.2168313      5.836365  -3.009076      6.456190  8.497757       77.64388 
1 1 1 11  18  7  o 202.2807 49.76172 8.406609       5.892853  12.35635       6.561768  -33.46028      89.22060 
1 1 1 11  18  8  o 267.4422 41.97964 16.71976       6.437305  17.38965       7.078941  -2.592957      85.99586 
1 1 1 11  18  9  o 102.3853 46.95660 -5.095476      6.383688  0.6435431      7.218881  -31.13157      80.70200 
1 1 1 11  18  10 o 215.5104 55.72931 18.37608       7.369983  4.592646       7.647973  100.8366       92.78278 
1 1 1 11  18  11 o 185.1038 59.45679 7.650032       7.543517  9.617646       7.953809  -14.14314      99.26453 
1 1 1 11  18  12 o 207.5986 59.99945 13.94351       7.781370  7.701169       8.600758  41.49556       101.3543 
1 1 1 11  18  13 o 338.0051 40.74664 33.49829       8.114610  19.82115       8.653914  100.7747       88.69158 
1 1 1 11  18  14 o 137.5643 59.57608 -12.07865      11.06095  8.746693       8.268152  -57.62476      95.54908 
1 1 1 11  18  15 o 182.3762 69.62865 8.455030       7.747468  0.000000       0.000000  ?              ?        
1 1 1 11  18  16 o 139.4317 56.49422 4.370553       7.407304  2.722766       7.808813  6.032562       91.58620 
1 1 1 11  18  17 f 122.3928 53.08645 1.296733       7.545414  1.119631       7.376091  1.797607       86.73711 
1 1 1 11  18  18 o 180.9385 58.25953 11.41850       7.453513  7.412148       7.404395  25.62137       95.94567 
1 1 1 11  18  19 o 118.6663 51.63829 1.498538       7.008196  1.842707       7.207510  -2.457016      83.43960 
1 1 1 11  18  20 o 143.4968 55.44689 0.6333221      6.813476  11.76299       7.214954  -59.06684      87.78734 
1 1 1 11  18  21 o 282.3584 44.37379 23.26266       7.352401  20.91733       7.691260  24.61423       95.36838 
1 1 1 11  18  22 o 152.6749 58.30572 10.63701       8.742520  8.040147       6.935856  7.068604       89.90372 
1 1 1 11  18  23 o 105.7130 48.47180 0.6074821      7.392837  2.279305       7.023182  -3.920906      76.07291 
1 1 1 11  18  24 o 82.38187 40.39991 -9.074731      7.039890  0.9115563      7.029169  -20.31207      66.55544 
1 1 1 11  18  25 o 84.43496 41.43440 -2.765997      5.259440  0.000000       0.000000  ?              ?        
1 1 1 11  18  26 o 125.8230 52.50816 6.282059       8.463234  9.420086       5.872157  -17.11156      75.58160 
1 1 1 11  18  27 o 66.54323 32.30119 7.614291       9.275879  -2.893800      3.118676  37.68830       59.95259 
1 1 1 11  18  28 o 107.5605 40.98309 9.049012       4.677011  2.705064       3.271272  30.57517       64.40794 
1 1 1 11  18  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  19  0  o 201.7392 58.60474 21.62800       8.108498  3.780038       7.465722  115.9337       93.83298 
1 1 1 11  19  1  o 208.5540 76.63187 20.32474       13.18689  11.24938       12.83875  33.51332       119.5832 
1 1 1 11  19  2  o 176.8447 73.18719 16.02671       13.19987  2.442115       13.00012  43.38802       114.5428 
1 1 1 11  19  3  o 135.3314 52.20579 5.388928       6.181570  2.641458       6.224865  16.15317       84.58818 
1 1 1 11  19  4  o 107.5322 47.38974 1.635155       5.970942  -1.877583      6.357851  12.98936       78.32993 
1 1 1 11  19  5  f 249.6679 42.60959 15.54248       6.262735  15.20235       6.467146  4.331665       86.21077 
1 1 1 11  19  6  o 202.6752 54.85935 12.89292       7.006477  8.703123       7.123478  31.76309       95.06642 
1 1 1 11  19  7  o 115.2792 51.39050 2.822777       7.286139  -4.340660      7.617707  26.51056       85.32397 
1 1 1 11  19  8  o 152.9637 58.59257 2.345136       7.497643  8.324922       8.086683  -35.22485      95.30381 
1 1 1 11  19  9  o 98.22891 46.53942 -5.604416      7.305292  -4.190761      7.872482  -9.358742      80.02660 
1 1 1 11  19  10 o 131.8895 55.82271 8.608323       7.570881  -6.119778      8.239476  61.81136       90.18791 
1 1 1 11  19  11 o 400.1562 35.68730 34.69211       8.498343  40.87095       9.059823  -33.34775      75.34797 
1 1 1 11  19  12 o 118.6174 53.25481 -0.3043896     7.769207  -1.542234      8.592436  -1.190033      88.47111 
1 1 1 11  19  13 f 433.2837 36.36590 45.70679       9.490456  43.01217       9.890178  18.12183       77.32156 
1 1 1 11  19  14 o 140.0449 61.51849 -5.413452      14.06988  4.129113       8.507102  -2.610855      100.6927 
1 1 1 11  19  15 o 210.7792 73.85721 13.87217       8.432915  0.000000       0.000000  ?              ?        
1 1 1 11  19  16 o 107.5945 49.96061 1.183912       8.259550  -5.587369      7.773222  25.07904       83.77198 
1 1 1 11  19  17 o 236.4234 57.05044 21.49882       8.421174  10.96633       8.127165  72.08035       101.1378 
1 1 1 11  19  18 o 161.2252 59.53289 8.964287       8.068028  6.840848       7.681396  11.19434       94.91077 
1 1 1 11  19  19 o 254.0306 58.22274 21.95681       8.227058  16.77352       9.981163  49.92821       105.8327 
1 1 1 11  19  20 o 129.7841 54.21915 10.96926       7.348035  -1.448814      7.226311  53.13354       85.25571 
1 1 1 11  19  21 o 121.4875 54.01452 11.22511       9.815018  0.2761738      7.146614  35.81492       85.80773 
1 1 1 11  19  22 o 93.62394 44.03707 1.739877       6.453791  -3.375319      6.667451  13.87312       70.87189 
1 1 1 11  19  23 o 147.4388 54.10507 10.54191       6.213905  6.462505       6.787295  22.49697       82.79237 
1 1 1 11  19  24 o 108.7303 47.29220 4.851562       5.838435  3.335828       6.076885  5.525665       71.86047 
1 1 1 11  19  25 f 98.13628 43.79358 0.1156078      5.404917  6.406513       5.439544  -22.39591      66.84321 
1 1 1 11  19  26 o 89.63965 43.94604 -3.782152      8.062606  5.164631       8.569659  -13.97109      67.02951 
1 1 1 11  19  27 o 63.10323 31.82777 -6.315159      5.458369  -5.923975      6.311897  -4.034065      51.98558 
1 1 1 11  19  28 o 82.82448 40.53104 0.000000       0.000000  1.887497       4.926452  ?              ?        
1 1 1 11  20  0  o 110.3995 48.69712 1.724079       6.081592  0.1414625      7.052445  1.086853       78.88712 
1 1 1 11  20  1  o 137.3079 55.63430 0.3236160      7.161128  9.340303       7.599606  -44.45176      88.90640 
1 1 1 11  20  2  o 107.4124 48.91957 -5.829376      7.111077  4.636463       7.239601  -39.23730      81.08694 
1 1 1 11  20  3  f 142.3953 65.86084 8.124966       13.15651  -6.255715      14.33444  27.42894       104.2081 
1 1 1 11  20  4  o 153.5727 69.03435 5.078612       13.04421  2.804770       14.56631  2.172562       108.5025 
1 1 1 11  20  5  o 331.2433 43.19588 27.44285       8.652097  27.87426       8.677008  -2.899109      94.07928 
1 1 1 11  20  6  o 144.3647 58.53856 6.689354       7.897203  1.916100       8.467418  19.61542       93.83671 
1 1 1 11  20  7  o 114.2524 51.70296 -1.409065      7.791241  -0.1866897     7.927215  -5.302490      85.41107 
1 1 1 11  20  8  o 180.1242 60.97431 10.87943       8.114616  7.258629       8.094527  21.39862       99.55834 
1 1 1 11  20  9  o 222.9638 58.89011 19.14498       8.453998  8.986708       8.087729  68.92137       101.3434 
1 1 1 11  20  10 o 175.1468 61.89134 11.64517       8.513601  5.428214       8.266606  34.91675       100.1298 
1 1 1 11  20  11 o 147.0718 59.41970 1.962038       8.629271  7.024278       8.152120  -21.28673      95.34036 
1 1 1 11  20  12 o 137.7824 58.79546 1.911072       8.945487  3.804221       8.796036  -6.781158      94.83296 
1 1 1 11  20  13 o 156.9554 62.14223 5.928340       9.041364  6.472832       8.917657  -2.112747      99.24703 
1 1 1 11  20  14 o 227.6331 75.15780 0.000000       0.000000  17.60625       8.714656  ?              ?        
1 1 1 11  20  15 o 148.8623 63.54514 0.1661899E-01  8.629352  17.84240       13.89442  -68.56905      107.0087 
1 1 1 11  20  16 o 174.6905 63.25703 15.80857       8.737172  3.363120       8.900172  61.49731       99.35170 
1 1 1 11  20  17 o 122.6054 54.97481 1.081785       8.395774  2.162199       8.938054  -5.535721      87.94521 
1 1 1 11  20  18 o 114.2869 53.02113 -5.783412      8.424435  7.359347       9.676396  -40.83893      86.95309 
1 1 1 11  20  19 o 97.06056 47.37664 -8.589169      7.808135  3.244141       12.39455  -37.57415      81.59256 
1 1 1 11  20  20 o 121.6252 56.04334 5.199925       8.236031  0.5034550      12.78540  4.220367       85.62947 
1 1 1 11  20  21 o 121.2238 54.56134 3.172001       7.292369  7.441417       11.08044  -13.52306      84.41234 
1 1 1 11  20  22 o 150.0820 57.29052 10.72593       6.870275  8.448565       8.118903  13.86510       86.05089 
1 1 1 11  20  23 o 88.54667 42.43419 1.079620       6.344225  -2.772212      7.069005  6.647606       66.84600 
1 1 1 11  20  24 o 76.24014 38.32059 -6.821540      5.711699  0.000000       0.000000  ?              ?        
1 1 1 11  20  25 o 71.35279 35.15936 -6.071783      5.439761  0.3575775      5.641794  -14.24055      57.11972 
1 1 1 11  20  26 o 96.28400 43.47036 3.314355       6.204996  4.763385       5.016714  -5.031364      63.96664 
1 1 1 11  20  27 o 64.30719 31.57517 -1.313460      5.200834  -2.312057      3.799520  8.369919       51.06784 
1 1 1 11  20  28 o 85.76012 41.99614 2.944075       7.720069  5.353824       7.331299  -3.363396      60.21322 
1 1 1 11  21  0  o 123.0131 51.86553 -1.319456      6.326278  9.987009       7.305080  -53.84896      83.53079 
1 1 1 11  21  1  o 127.6500 52.87406 -0.1151403     6.508235  9.044627       7.239996  -44.74294      84.58057 
1 1 1 11  21  2  o 99.56892 46.01929 -1.394459      6.382612  -0.8982752     7.010895  -5.644470      75.73578 
1 1 1 11  21  3  o 112.7765 52.84153 -3.274934      9.029490  -0.1961761     9.566887  -10.52278      86.29329 
1 1 1 11  21  4  o 129.5231 58.15883 -2.741394      9.714885  6.512660       9.732057  -28.07050      93.09385 
1 1 1 11  21  5  o 161.9153 72.67847 10.07654       14.79408  5.699109       15.57606  8.555267       110.7905 
1 1 1 11  21  6  o 163.1839 71.87917 10.60840       13.87607  5.658344       14.42799  11.27097       110.0525 
1 1 1 11  21  7  o 137.9872 62.23949 -0.3384558     11.75758  4.577769       10.85404  -10.51781      98.75440 
1 1 1 11  21  8  o 169.9132 67.40051 9.674741       10.89297  8.054034       10.29531  6.750259       105.8030 
1 1 1 11  21  9  o 158.9286 61.19194 9.233098       9.087461  5.449742       8.031576  19.58377       97.77150 
1 1 1 11  21  10 o 151.8087 64.87280 5.894984       11.66360  4.962204       10.14576  6.473373       102.4934 
1 1 1 11  21  11 f 122.8644 54.92112 -1.204229      8.850185  2.846171       8.306970  -11.22012      88.76484 
1 1 1 11  21  12 o 318.9941 51.40222 25.01910       9.885503  30.62059       9.767161  -41.15491      108.6747 
1 1 1 11  21  13 f 146.3710 61.91282 4.824576       9.620173  5.731570       9.757084  -3.540268      97.51592 
1 1 1 11  21  14 o 182.7028 75.37895 0.000000       0.000000  12.99985       9.784412  ?              ?        
1 1 1 11  21  15 o 157.0627 64.44189 12.24544       9.963702  3.553895       10.11830  31.06390       99.86431 
1 1 1 11  21  16 o 132.6724 58.36702 5.934789       9.432997  2.293684       9.171094  11.95155       91.32039 
1 1 1 11  21  17 o 134.3717 60.60960 7.829997       9.511267  0.1961931      12.47370  14.35609       92.61293 
1 1 1 11  21  18 o 146.2991 60.30505 6.352555       8.638965  10.87749       9.068072  -15.29181      91.33521 
1 1 1 11  21  19 o 144.7957 60.21191 5.245764       8.694133  12.92524       9.177111  -24.72424      90.58521 
1 1 1 11  21  20 o 167.4072 64.64999 24.88171       11.61525  7.664667       8.260805  43.40498       98.65928 
1 1 1 11  21  21 o 88.02916 42.92071 0.5275969      7.291972  -7.100239      7.968902  12.44704       68.98017 
1 1 1 11  21  22 o 77.02209 38.41408 -3.347070      7.004288  -9.751038      7.898915  6.265915       62.71542 
1 1 1 11  21  23 o 85.87801 41.78659 0.5414857      6.861166  -2.331588      7.387543  4.155876       64.94983 
1 1 1 11  21  24 o 93.74039 44.76328 2.764634       6.235452  2.706369       9.156306  -1.476440      66.86103 
1 1 1 11  21  25 o 110.4635 49.10184 8.066044       6.135727  6.027569       7.589446  8.504967       69.90658 
1 1 1 11  21  26 o 68.10342 34.28308 -5.922655      6.685624  -3.091852      6.509536  -3.088203      54.07859 
1 1 1 11  21  27 o 82.21127 39.41014 -0.8969111     7.200428  4.552033       4.950722  -9.455254      57.73610 
1 1 1 11  22  0  o 95.49700 45.56167 -7.166703      7.030558  3.456003       8.117954  -33.42172      76.31666 
1 1 1 11  22  1  o 106.1887 49.70790 -1.709659      7.906164  0.1314647      8.496156  -7.434677      80.20949 
1 1 1 11  22  2  o 123.6156 57.04267 2.966432       9.824280  1.192566       10.61440  2.489960       89.06784 
1 1 1 11  22  3  o 129.1154 59.59996 5.497256       10.65080  -1.001891      11.71338  12.50340       92.79870 
1 1 1 11  22  4  o 120.2479 56.62451 6.873888       10.66592  -8.303212      11.14576  31.56203       90.62524 
1 1 1 11  22  5  o 127.7295 58.67083 -4.616714      10.46533  8.473907       10.76907  -33.77753      93.38139 
1 1 1 11  22  6  o 154.0856 65.09592 21.98584       11.07577  -5.119843      10.33840  92.03839       102.3160 
1 1 1 11  22  7  o 150.9202 64.65614 10.89278       11.25252  3.540905       10.40342  23.29373       100.2822 
1 1 1 11  22  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  22  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  22  10 o 129.8972 59.34327 5.572470       11.70065  0.5204477      9.860081  16.47609       93.54558 
1 1 1 11  22  11 o 158.2835 64.29974 4.360588       9.678144  13.75874       10.08446  -33.77611      99.15842 
1 1 1 11  22  12 o 147.3707 62.04880 12.68893       9.918284  2.065459       9.417285  36.33141       96.12541 
1 1 1 11  22  13 o 121.2073 56.28717 -3.244128      10.03250  5.984592       10.30288  -22.67439      89.02473 
1 1 1 11  22  14 o 101.6643 50.13696 -10.01090      13.73217  -6.016067      9.878278  7.103104       82.09695 
1 1 1 11  22  15 o 131.0067 58.86392 8.686031       10.05792  1.476399       9.901871  18.86994       90.25982 
1 1 1 11  22  16 o 110.6488 53.31483 -4.832142      9.615044  5.494107       12.80514  -24.01541      85.24739 
1 1 1 11  22  17 o 200.8616 65.81517 17.63745       9.215668  16.38788       9.719824  9.131790       102.3119 
1 1 1 11  22  18 o 112.9458 52.54975 1.686489       8.733428  2.758595       9.129832  -3.248253      81.21102 
1 1 1 11  22  19 o 105.8377 51.12728 2.793828       12.27691  -1.525112      8.853509  12.41014       79.78807 
1 1 1 11  22  20 o 127.1094 55.70092 11.75563       8.070867  2.577648       8.759613  26.07381       82.20226 
1 1 1 11  22  21 o 109.4755 50.68430 -0.3295875     7.809763  10.77042       8.533421  -25.29333      76.29245 
1 1 1 11  22  22 o 88.70282 43.45792 -5.948345      7.546713  7.073767       8.744841  -22.59923      67.96030 
1 1 1 11  22  23 o 91.99317 44.12329 7.598154       6.894900  -4.086305      7.674804  21.61070       66.55032 
1 1 1 11  22  24 o 87.14750 42.35888 -1.094539      6.866529  4.775172       7.712878  -10.65528      63.86187 
1 1 1 11  22  25 f 75.81699 37.45297 -6.177613      6.410470  5.380467       6.432285  -18.39908      57.87962 
1 1 1 11  22  26 o 82.63329 40.33609 7.817584       7.690822  -0.2630419     6.122899  12.07538       59.43745 
1 1 1 11  22  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  23  0  o 109.7474 51.00484 -0.6825922     7.991201  2.860618       8.812035  -11.53916      80.60073 
1 1 1 11  23  1  o 182.8844 70.90189 10.92276       11.26207  22.53638       11.71909  -34.32092      104.6686 
1 1 1 11  23  2  o 104.7136 51.28179 -0.5529811     10.81149  -10.02072      11.67275  11.99283       82.41065 
1 1 1 11  23  3  o 114.0075 54.74295 0.3316653      11.02130  -2.941277      11.46256  4.732880       86.24356 
1 1 1 11  23  4  o 150.9804 65.09322 7.819956       10.97772  11.52648       11.18833  -9.644196      97.15313 
1 1 1 11  23  5  o 115.1316 54.83716 1.241126       10.57882  -2.250492      11.02178  5.638626       86.28086 
1 1 1 11  23  6  o 126.3325 58.72338 9.894463       11.68852  -3.252597      10.60072  30.24863       92.04243 
1 1 1 11  23  7  o 139.1842 62.48381 6.340305       11.54981  5.704464       10.91123  2.024353       95.17774 
1 1 1 11  23  8  o 130.8473 60.03343 5.621538       11.67857  2.080635       10.54557  9.759018       92.85044 
1 1 1 11  23  9  f 170.9272 77.13264 16.20339       12.26504  0.000000       0.000000  ?              ?        
1 1 1 11  23  10 o 164.2213 74.47813 12.56861       16.70657  14.83413       16.13623  -4.152130      108.2648 
1 1 1 11  23  11 o 161.2509 78.77493 0.000000       0.000000  18.33985       18.37605  ?              ?        
1 1 1 11  23  12 o 120.8500 57.93430 3.998907       17.50968  -1.387919      10.20561  18.84502       92.05060 
1 1 1 11  23  13 o 95.62763 47.57443 -7.501472      12.70379  -10.54307      9.947137  13.56785       78.82730 
1 1 1 11  23  14 o 93.24268 46.57584 -5.969542      12.73561  -12.93654      9.937456  18.21922       77.68385 
1 1 1 11  23  15 o 124.9089 57.55149 11.98733       10.11445  -3.997181      10.54441  35.40659       88.42995 
1 1 1 11  23  16 o 203.5011 67.98188 20.18178       9.965688  17.59748       10.19047  12.03506       103.4856 
1 1 1 11  23  17 o 111.7113 52.80783 -4.593911      9.465999  10.08890       9.838239  -29.85935      81.74190 
1 1 1 11  23  18 f 98.65585 48.02996 0.7057553      9.587135  -2.458649      9.276426  5.732292       74.57029 
1 1 1 11  23  19 o 101.5700 48.50086 4.016751       8.262013  -0.5338141     8.882627  7.855080       73.68126 
1 1 1 11  23  20 o 104.0287 49.26532 3.252822       8.370322  4.624290       8.569283  -2.659935      73.08172 
1 1 1 11  23  21 o 93.80499 45.53955 5.774801       8.021667  -2.285869      8.644198  12.26588       68.24211 
1 1 1 11  23  22 o 91.61201 44.43168 -0.9401312     7.849321  5.292883       7.881700  -10.22132      66.41640 
1 1 1 11  23  23 o 100.6909 47.15895 8.778194       7.013814  2.392522       7.818508  13.32825       67.72359 
1 1 1 11  23  24 o 74.56079 37.32470 -3.975875      7.421664  0.4781742      7.169392  -4.950859      56.87774 
1 1 1 11  23  25 o 78.51530 38.51135 2.271690       6.560659  0.8864056      6.254342  2.364960       57.06933 
1 1 1 11  23  26 o 86.59773 44.45389 0.000000       0.000000  16.70064       11.35593  ?              ?        
1 1 1 11  24  1  o 99.14642 49.25912 -4.779209      11.37522  -9.027721      12.09122  3.388474       78.66381 
1 1 1 11  24  2  o 111.4316 53.90790 8.878703       11.37699  -9.979615      11.40862  30.17955       84.89719 
1 1 1 11  24  3  o 101.0981 49.87247 -2.796617      11.61869  -6.699770      10.91379  7.068993       79.30920 
1 1 1 11  24  4  o 124.2903 57.14424 10.04405       11.14938  0.4695424      9.302090  23.02615       87.92044 
1 1 1 11  24  5  o 128.5591 58.36845 2.945935       11.57719  6.468217       9.095858  -6.103043      88.53441 
1 1 1 11  24  6  o 112.4011 52.63771 6.820644       9.767817  -2.589367      8.711557  23.58675       82.66096 
1 1 1 11  24  7  o 104.2969 50.22074 -9.888298      9.370413  8.145324       9.869350  -36.33234      81.10921 
1 1 1 11  24  8  o 110.2989 54.85648 -0.7796542     12.73535  -14.02320      17.91933  4.218910       85.33766 
1 1 1 11  24  9  o 123.2520 57.86695 15.00798       12.96511  -2.964399      10.05083  35.82729       90.33998 
1 1 1 11  24  10 o 125.6025 59.93487 -1.853388      13.42382  9.517007       12.64521  -16.52622      90.22258 
1 1 1 11  24  11 o 115.3447 56.18007 16.28346       13.15943  -14.99026      12.72966  43.83855       88.92249 
1 1 1 11  24  12 o 99.61768 49.94998 -7.088743      12.71437  -11.55243      14.01361  1.557838       79.39406 
1 1 1 11  24  13 o 117.4869 59.81794 -6.296910      17.02151  0.000000       0.000000  ?              ?        
1 1 1 11  24  14 f 114.8777 58.36768 0.000000       0.000000  -4.680584      15.59294  ?              ?        
1 1 1 11  24  15 o 158.0921 65.15918 11.67226       10.13626  17.27051       10.52596  -13.54837      93.11848 
1 1 1 11  24  16 o 112.1955 52.98681 13.90035       9.628403  -5.843523      9.711893  37.68143       80.92798 
1 1 1 11  24  17 o 97.01856 47.58075 10.60806       10.24234  -9.854879      9.343968  31.17762       74.97905 
1 1 1 11  24  18 o 139.0088 60.05987 10.69489       9.528007  15.12027       9.420006  -10.52356      83.79683 
1 1 1 11  24  19 o 96.75053 46.83868 10.96033       8.553042  -6.143478      8.728021  27.58981       71.08370 
1 1 1 11  24  20 o 79.86016 40.06292 0.1520745      8.695243  -8.614807      8.542928  10.33306       62.75824 
1 1 1 11  24  21 o 89.16740 43.82451 0.3135899      8.329743  2.135082       8.520879  -2.659210      65.51849 
1 1 1 11  24  22 o 86.33727 42.40079 4.980902       7.705365  -0.5612396     7.975113  7.507881       62.50843 
1 1 1 11  24  23 o 79.87139 39.63278 -1.052868      7.264059  3.224390       7.744217  -5.692154      58.92117 
1 1 1 11  24  24 o 83.40719 40.79541 5.923716       7.031048  1.331022       7.031991  6.564888       58.91369 
1 1 1 11  24  25 o 78.65438 40.60797 0.000000       0.000000  4.431997       11.48023  ?              ?        
1 1 1 11  25  3  o 104.7692 50.82846 7.152221       11.27823  -6.230099      9.560966  24.60083       80.17082 
1 1 1 11  25  4  o 139.4420 61.41731 12.06311       11.51397  7.985924       9.441308  6.871414       90.00009 
1 1 1 11  25  5  o 108.9833 52.37855 3.989472       11.74196  -0.8174320     9.343886  11.24044       80.80892 
1 1 1 11  25  6  o 139.0309 62.49735 14.14704       11.96031  7.808756       10.67499  11.02519       90.37109 
1 1 1 11  25  7  o 128.9979 62.49942 11.67970       13.50720  0.8010538      18.61112  11.19142       90.65459 
1 1 1 11  25  8  o 132.9120 61.21516 -0.9234627     13.48024  14.00304       10.42544  -27.24251      89.57321 
1 1 1 11  25  9  o 118.6387 56.65338 22.38216       13.53599  -6.271124      10.41804  45.71024       88.55791 
1 1 1 11  25  10 o 120.0389 57.15192 6.321597       13.21645  5.270483       10.60917  1.814789       84.30136 
1 1 1 11  25  11 o 111.6968 54.80120 2.529668       13.13765  2.382087       12.84745  0.3308792      81.62136 
1 1 1 11  25  12 o 101.9888 49.82743 -1.241295      10.02399  1.502830       10.82787  -4.953087      76.17897 
1 1 1 11  25  13 o 104.0688 51.83012 -0.8565257     13.17042  0.1130228      13.41941  -1.091125      77.81791 
1 1 1 11  25  14 o 94.65553 47.73078 -9.070227      13.16902  -2.516799      13.00844  -5.022812      73.38983 
1 1 1 11  25  15 o 91.37540 45.99068 -4.885846      10.08567  -5.794963      15.03179  -5.715363      71.12263 
1 1 1 11  25  16 o 93.95604 47.72915 -3.395361      16.46927  -6.608469      13.39913  4.239830       72.04035 
1 1 1 11  25  17 o 90.11123 45.65817 -2.843317      12.76018  -7.108146      12.99551  2.722649       69.25401 
1 1 1 11  25  18 o 103.0140 49.56824 6.354870       9.195613  3.786093       9.457241  3.878937       71.99405 
1 1 1 11  25  19 o 95.59464 46.77707 4.887620       9.163272  1.645600       9.391162  4.163902       68.59040 
1 1 1 11  25  20 o 95.81573 47.57382 2.440959       8.846413  18.26635       15.47038  -8.549385      68.00609 
1 1 1 11  25  21 o 82.87388 41.66078 1.294695       10.72603  0.8945482      8.713452  1.116066       61.13932 
1 1 1 11  25  22 o 73.82999 37.50183 -9.035505      9.159873  1.245483       8.963395  -7.747932      57.00114 
1 1 1 11  25  23 o 86.07651 43.03211 7.808194       9.800964  6.136243       9.310637  1.051170       60.02067 
1 1 1 11  25  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  26  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  26  6  o 110.1542 54.95636 0.1996300      12.99890  4.268769       19.19833  -5.418709      81.58808 
1 1 1 11  26  7  o 113.5119 54.82277 -6.279628      13.35866  10.86595       10.48076  -21.23643      81.35181 
1 1 1 11  26  8  o 119.0311 55.91768 7.696033       10.60614  5.812557       10.42834  3.163651       81.58538 
1 1 1 11  26  9  o 124.0770 59.49488 -0.2592873     13.10440  21.89665       13.23043  -26.71785      85.23620 
1 1 1 11  26  10 o 111.0926 53.79224 8.521806       10.36835  -0.2056437     12.84154  10.69479       78.72137 
1 1 1 11  26  11 o 108.0088 51.81158 5.463746       9.750287  2.516432       10.28897  4.428841       76.66574 
1 1 1 11  26  12 o 93.15778 46.13483 7.288853       9.844243  -11.94498      10.09350  24.23033       72.27211 
1 1 1 11  26  13 o 94.04145 46.38080 -2.327677      9.590131  0.6440205      9.835801  -4.239555      70.91000 
1 1 1 11  26  14 o 112.3150 53.47408 5.786896       10.72365  8.260310       9.820775  -4.225784      76.83045 
1 1 1 11  26  15 o 94.51649 47.28746 4.099600       14.66974  -2.259767      9.928211  8.105919       71.00596 
1 1 1 11  26  16 o 94.88522 48.22208 18.94776       15.38551  -16.92620      14.86907  19.47654       71.58215 
1 1 1 11  26  17 o 87.68329 44.95367 2.495983       15.46086  -12.92011      16.30533  5.824646       66.52129 
1 1 1 11  26  18 f 83.30451 42.48209 -12.62955      12.31020  6.635172       12.76864  -11.04470      63.58971 
1 1 1 11  26  19 o 86.25522 43.82128 8.221414       11.89934  -6.494042      12.99515  8.236595       63.74213 
1 1 1 11  26  20 o 94.38257 47.22112 12.10262       11.61879  7.249972       11.57574  3.435623       65.26534 
1 1 1 11  26  21 o 79.11810 40.21939 -0.1272388     9.783994  2.338447       11.57576  -1.917793      58.47720 
1 1 1 11  26  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  27  8  o 108.5644 55.10122 0.000000       0.000000  5.047215       13.63996  ?              ?        
1 1 1 11  27  9  o 83.86198 42.19724 -10.37369      9.776061  -2.007902      10.09967  -9.281792      66.57395 
1 1 1 11  27  10 o 95.89637 47.27639 0.5479776      9.940085  1.164879       10.17262  -0.9525681     70.89939 
1 1 1 11  27  11 o 98.45831 48.39773 9.324021       10.15372  -5.021861      10.42201  17.36786       72.29330 
1 1 1 11  27  12 o 101.4984 49.37989 1.085635       9.932864  7.555427       9.904095  -8.562027      72.20592 
1 1 1 11  27  13 o 88.82674 44.86065 20.61490       15.90016  -11.98322      9.824723  26.09429       70.25491 
1 1 1 11  27  14 o 87.05741 44.43037 0.000000       0.000000  -5.713207      9.851466  ?              ?        
1 1 1 11  27  15 o 96.05309 47.94525 -4.721734      12.53003  12.10743       10.93076  -14.00047      69.24596 
1 1 1 11  27  16 o 83.37901 42.33179 -0.7685465     12.43738  -4.472523      10.66072  3.743149       63.37101 
1 1 1 11  27  17 o 84.26591 42.96603 -1.596788      12.54564  -0.3615395     13.03175  -0.8334274     62.99403 
1 1 1 11  27  18 o 79.09515 40.56446 -6.624740      13.14668  -1.751476      12.92643  -2.028687      59.97086 
1 1 1 11  27  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 11  27  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  -22 0  o 76.46634 36.69085 -2.303542      5.141430  2.140719       4.920003  -10.76868      57.19080 
1 1 1 12  -22 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  -21 0  o 95.42144 41.51730 3.726893       4.654738  2.653894       4.531616  4.597694       63.12550 
1 1 1 12  -21 1  o 74.41408 35.75256 -0.5939720     5.028798  -1.474674      4.614884  4.339935       57.18459 
1 1 1 12  -21 2  o 74.20142 35.67083 -6.187054      5.209140  2.429553       4.478026  -20.63681      57.55980 
1 1 1 12  -21 3  o 84.46772 39.78410 -0.4816578E-02 5.685564  1.055212       5.127121  -1.401939      61.99136 
1 1 1 12  -21 4  o 118.3742 48.55095 6.031479       6.624494  6.505215       5.073598  -5.724998      72.08341 
1 1 1 12  -21 5  o 97.81439 50.16251 -6.475612      14.07848  0.000000       0.000000  ?              ?        
1 1 1 12  -20 0  o 70.30984 34.07333 -0.7325336     4.529345  -4.185780      4.678411  9.064568       56.10842 
1 1 1 12  -20 1  o 68.44868 33.24887 -3.150853      4.331673  -2.155355      4.577643  -4.647736      55.11214 
1 1 1 12  -20 2  o 78.89326 37.13328 -0.2261729E-01 4.543715  -1.157018      4.822443  2.388161       59.64891 
1 1 1 12  -20 3  o 96.04736 42.47181 3.697268       5.400101  1.494951       4.651296  10.39464       66.05780 
1 1 1 12  -20 4  o 118.9601 48.17101 4.042080       5.796400  7.086119       5.283060  -14.64755      72.70773 
1 1 1 12  -20 5  o 78.94602 37.70647 -1.378384      5.989522  -1.163020      4.625681  6.004631       61.03987 
1 1 1 12  -20 6  o 108.4965 46.65947 6.115508       6.530570  2.912799       5.074073  12.72033       71.77390 
1 1 1 12  -20 7  o 85.12374 39.95748 0.5281234      6.103911  -0.2894023     4.822656  7.412231       63.66475 
1 1 1 12  -19 0  o 94.51218 41.44361 0.2784995      4.428626  3.991575       4.917128  -18.57403      65.55771 
1 1 1 12  -19 1  o 67.69769 32.88720 -5.869074      4.333566  -0.2809946E-01 4.378900  -18.58837      55.62011 
1 1 1 12  -19 2  f 90.04575 39.77020 2.957299       4.388751  -0.1233881     4.326969  14.81723       63.13362 
1 1 1 12  -19 3  o 92.38319 40.58741 -1.653677      4.356721  5.300605       4.620422  -34.54118      64.92854 
1 1 1 12  -19 4  o 97.49663 42.68649 1.943503       5.193513  2.122401       4.685847  0.9163589      67.13110 
1 1 1 12  -19 5  f 148.6406 48.88384 4.512836       5.363749  10.73723       5.078983  -43.19758      77.24036 
1 1 1 12  -19 6  o 83.29624 39.28444 -0.2568873     6.025537  -1.212528      4.759409  9.403778       63.82654 
1 1 1 12  -19 7  f 122.1714 48.44806 9.422902       6.283125  3.052367       4.901991  29.83482       75.90325 
1 1 1 12  -19 8  f 131.1135 49.80374 1.607052       6.370698  9.488439       5.036888  -42.08152      75.28454 
1 1 1 12  -19 9  o 82.93858 40.06369 -11.77220      12.03626  -0.7227809     4.737498  8.782959       66.24247 
1 1 1 12  -18 0  o 83.13586 38.24279 1.026652       4.342358  -2.042945      4.749434  9.920685       62.23166 
1 1 1 12  -18 1  o 110.2774 44.79445 3.453645       4.549857  3.195726       5.077705  0.9654236E-01  70.66962 
1 1 1 12  -18 2  o 91.42522 40.47994 0.3127941      4.521641  1.584637       4.561908  -6.293915      65.01691 
1 1 1 12  -18 3  o 108.7420 44.15228 5.163025       4.580370  1.047233       4.730090  23.18486       69.62286 
1 1 1 12  -18 4  o 87.00946 38.97190 -2.255431      4.185386  3.657398       4.504967  -30.70557      63.71902 
1 1 1 12  -18 5  o 104.2352 43.22408 2.931783       4.733552  2.558347       4.443395  3.020897       68.35631 
1 1 1 12  -18 6  o 125.4102 52.70722 0.000000       0.000000  5.531463       4.913713  ?              ?        
1 1 1 12  -18 7  o 90.76855 41.64100 -3.418790      5.850273  2.668434       4.917719  -17.32992      66.79517 
1 1 1 12  -18 8  o 76.47623 36.79441 -4.638312      5.825403  -1.580392      4.641615  -0.7058258     61.17323 
1 1 1 12  -18 9  o 85.87539 40.00851 -3.327367      5.792972  1.525513       4.759648  -10.88395      64.40225 
1 1 1 12  -18 10 o 72.68197 35.22131 -0.4830449     5.383660  -5.127569      4.552203  19.93380       59.90170 
1 1 1 12  -18 11 o 97.41475 43.53597 2.362485       6.648491  1.293972       4.637999  10.69245       69.50253 
1 1 1 12  -17 0  o 136.6548 51.60848 6.336082       4.973754  4.968858       8.028660  5.789063       81.90658 
1 1 1 12  -17 1  o 113.5243 49.74156 4.941871       6.521258  -0.2788232     6.877315  19.04555       78.61661 
1 1 1 12  -17 2  o 133.7924 54.14372 2.578419       6.894885  8.487564       7.050205  -27.12428      84.70908 
1 1 1 12  -17 3  o 148.3075 55.93351 2.419349       6.545419  14.00159       7.611220  -59.11994      88.55496 
1 1 1 12  -17 4  o 96.87025 44.70165 -2.617053      6.334996  1.558078       6.191676  -13.63841      72.65827 
1 1 1 12  -17 5  o 103.5861 46.01538 0.7446384      5.748323  1.930811       6.100712  -6.469246      73.69629 
1 1 1 12  -17 6  o 148.3364 53.41321 4.311015       6.360699  10.32986       6.194385  -34.74750      83.95839 
1 1 1 12  -17 7  f 125.1203 52.97691 -2.596536      8.245788  8.903576       6.335711  -39.60472      81.21532 
1 1 1 12  -17 8  o 162.2360 60.61066 10.19523       10.13737  10.90987       7.068352  -11.81250      92.50397 
1 1 1 12  -17 9  o 175.1694 62.72112 12.22917       13.52389  12.83140       6.848176  -24.45369      95.57517 
1 1 1 12  -17 10 o 92.67385 43.15620 -0.3653156     11.44994  -0.5704272     4.603577  26.07961       74.47460 
1 1 1 12  -17 11 o 93.99045 41.91594 0.7000918E-01  5.572259  1.723453       4.511393  -1.780037      66.97861 
1 1 1 12  -17 12 o 96.97918 43.08821 -4.178262      6.119181  4.505158       4.586508  -27.47114      67.88319 
1 1 1 12  -17 13 o 98.30199 48.88516 -6.414416      8.235799  0.000000       0.000000  ?              ?        
1 1 1 12  -16 0  o 137.3423 52.13082 8.288516       6.164603  2.656563       6.075072  32.37452       82.79126 
1 1 1 12  -16 1  o 129.6005 50.87144 6.939309       5.790185  1.724100       6.170235  27.61106       80.56402 
1 1 1 12  -16 2  o 158.9995 53.26232 10.69798       5.926733  4.351851       6.479321  41.56390       85.15472 
1 1 1 12  -16 3  o 127.3952 51.38778 8.399468       6.205199  -0.1996651E-01 6.309982  42.66905       81.15994 
1 1 1 12  -16 4  o 153.6036 52.58066 5.810703       5.998590  8.812061       6.060256  -19.37535      84.80351 
1 1 1 12  -16 5  o 116.5396 49.43187 8.528014       6.321892  -2.704055      6.093280  54.19780       79.25481 
1 1 1 12  -16 6  o 117.5215 49.75660 1.669928       6.234592  3.901002       6.299532  -10.56852      79.39482 
1 1 1 12  -16 7  f 127.7151 51.24661 5.681672       6.326164  3.120779       6.057684  13.87269       81.32184 
1 1 1 12  -16 8  o 154.0238 57.82649 4.225226       7.066333  12.94442       7.982761  -42.34406      91.18060 
1 1 1 12  -16 9  f 108.7810 47.97104 3.422374       6.664293  0.5063416      6.018545  14.27975       76.71332 
1 1 1 12  -16 10 o 176.1805 51.51638 14.17947       5.674689  4.850026       6.351359  68.64824       82.84879 
1 1 1 12  -16 11 o 92.15301 43.09198 -0.1706401     5.541478  -2.627274      6.940877  -0.1525879     70.32259 
1 1 1 12  -16 12 o 107.4366 49.51425 0.2992052      11.28066  1.355191       6.162237  11.31889       79.70559 
1 1 1 12  -16 13 o 119.3733 51.66107 3.235593       7.833596  4.482952       6.435244  -2.164284      80.14500 
1 1 1 12  -16 14 o 106.6613 48.45821 -0.3188404     7.830245  3.215533       6.366540  -6.653671      75.93195 
1 1 1 12  -15 0  o 223.3956 36.54996 14.12113       4.907780  10.80970       4.872390  32.93245       74.76604 
1 1 1 12  -15 1  o 146.3835 44.90574 5.638659       4.303696  5.754196       4.647765  -1.388657      75.60711 
1 1 1 12  -15 2  o 135.0068 44.39074 3.326735       4.046762  6.549794       4.609922  -29.25905      73.65010 
1 1 1 12  -15 3  o 206.2930 37.06479 12.86290       4.446734  8.204799       4.701438  49.70325       72.95364 
1 1 1 12  -15 4  o 101.5773 42.07974 3.971533       4.331797  -0.9826731     4.340559  31.55858       68.42294 
1 1 1 12  -15 5  o 149.0644 45.11438 12.33118       4.566392  -0.1016880     4.489966  105.7804       68.72347 
1 1 1 12  -15 6  o 122.6256 44.84510 2.551780       4.293642  5.282134       4.617958  -21.66730      72.80742 
1 1 1 12  -15 7  o 142.3595 44.58200 6.241766       4.240038  4.865000       4.525666  11.82706       74.22884 
1 1 1 12  -15 8  o 203.3518 37.88559 10.17978       4.381512  11.26708       4.862402  -6.750015      75.44413 
1 1 1 12  -15 9  o 144.8174 46.01453 7.195169       4.932769  4.848285       4.403860  19.30878       76.60186 
1 1 1 12  -15 10 o 90.39478 40.42748 2.741034       5.247805  -1.709339      4.215153  29.63487       67.68854 
1 1 1 12  -15 11 o 154.4765 60.08353 8.377428       5.845907  0.000000       0.000000  ?              ?        
1 1 1 12  -15 12 f 169.0757 54.82590 7.159113       6.591286  11.99906       6.552302  -30.46045      88.46151 
1 1 1 12  -15 13 o 102.2435 46.52190 0.9848185      6.357657  -0.7123224E-01 6.587150  2.642845       74.74142 
1 1 1 12  -15 14 o 102.2320 46.20955 0.6006952E-01  6.581676  1.902919       5.973644  -4.078812      73.57073 
1 1 1 12  -15 15 o 128.0858 51.80445 2.771040       6.732037  7.286688       6.074042  -20.37260      80.26967 
1 1 1 12  -14 0  o 195.3805 37.53141 8.537828       4.175574  10.45606       4.625879  -18.05360      73.12640 
1 1 1 12  -14 1  o 75.20324 35.09554 -4.345360      3.860311  0.4473889      4.222151  -27.91026      60.92084 
1 1 1 12  -14 2  o 171.6224 41.87754 4.853697       3.999001  11.53029       5.004967  -64.90131      74.47553 
1 1 1 12  -14 3  o 252.6559 31.37627 13.05189       4.559170  17.67733       5.111938  -39.21899      66.25302 
1 1 1 12  -14 4  o 316.8339 26.49428 22.83055       4.964813  23.67587       5.379087  -3.400818      55.42147 
1 1 1 12  -14 5  o 227.1032 35.16703 12.39415       4.706401  12.66736       4.887127  -1.333466      72.68736 
1 1 1 12  -14 6  o 116.4814 49.83634 0.000000       0.000000  1.509666       4.527461  ?              ?        
1 1 1 12  -14 7  o 119.7467 44.28625 6.755173       4.326407  -0.2508463     4.387762  52.92281       70.58954 
1 1 1 12  -14 8  o 105.1841 41.52682 0.8152475      3.751165  3.902514       4.304075  -26.49002      67.98600 
1 1 1 12  -14 9  o 140.0553 43.00822 6.412235       4.110638  4.133587       4.079693  20.98613       71.99393 
1 1 1 12  -14 10 o 166.3858 52.91146 0.000000       0.000000  8.093269       4.342979  ?              ?        
1 1 1 12  -14 11 o 149.2904 51.70988 3.361517       5.143017  12.11488       6.917448  -58.41950      85.54037 
1 1 1 12  -14 12 o 143.9035 53.62920 0.000000       0.000000  6.208249       4.533756  ?              ?        
1 1 1 12  -14 13 o 100.5448 42.89551 1.302207       5.525836  1.714702       4.186691  5.798630       69.64670 
1 1 1 12  -14 14 o 138.2130 48.44934 2.314825       6.402847  7.285125       4.404954  -29.32634      76.77663 
1 1 1 12  -14 15 o 139.8653 46.14027 2.777030       4.860277  8.567164       4.456433  -44.45716      73.68587 
1 1 1 12  -14 16 o 99.31232 42.18427 1.420370       4.772285  2.077547       4.320055  -1.123413      67.61595 
1 1 1 12  -14 17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  -13 0  o 65.04902 31.78493 -4.327547      4.215984  -6.087627      4.259650  5.661652       56.61961 
1 1 1 12  -13 1  o 107.7086 42.46058 3.963919       4.045146  -0.4707430     4.319451  29.85413       69.04137 
1 1 1 12  -13 2  o 154.1701 42.51660 4.501451       4.032969  7.486190       4.383865  -30.46213      73.45968 
1 1 1 12  -13 3  o 105.0945 42.18592 1.236337       4.008009  2.040909       4.410078  -9.586601      69.52742 
1 1 1 12  -13 4  o 372.6487 23.18731 32.05296       5.207355  30.69510       5.469197  9.707642       47.56227 
1 1 1 12  -13 5  o 97.36688 40.59274 -2.369149      3.868289  4.932452       4.311222  -55.33671      67.05824 
1 1 1 12  -13 6  o 187.8441 40.48405 5.756362       4.298629  12.62339       4.920420  -67.68475      73.99281 
1 1 1 12  -13 7  o 87.95445 39.08364 -4.826697      4.238294  3.931993       4.305950  -50.93150      65.56475 
1 1 1 12  -13 8  o 125.0643 43.66444 -0.3492795     3.983924  8.598030       4.375664  -77.90179      68.97657 
1 1 1 12  -13 9  o 108.2247 41.72141 4.900258       4.065267  -0.1802830E-01 3.862305  39.59749       67.71731 
1 1 1 12  -13 10 o 111.0173 46.54967 0.000000       0.000000  1.802752       3.818878  ?              ?        
1 1 1 12  -13 11 o 108.3603 42.96156 5.183752       4.668906  0.2534341      4.001855  38.66937       70.28328 
1 1 1 12  -13 12 o 114.4617 45.33069 1.147044       5.103720  4.023261       4.509452  -14.81792      73.03548 
1 1 1 12  -13 13 o 163.3113 46.14898 9.287129       5.596146  6.364026       4.384575  21.80070       80.19418 
1 1 1 12  -13 14 o 168.2959 45.76009 6.951394       5.383634  8.862455       4.530154  -19.83235      79.07813 
1 1 1 12  -13 15 o 137.9914 58.36105 5.680320       6.085692  0.000000       0.000000  ?              ?        
1 1 1 12  -13 16 o 99.88787 41.93257 6.240925       4.866660  -1.265980      4.031316  49.85209       68.86852 
1 1 1 12  -13 17 o 133.3447 46.44263 4.019149       5.085892  6.283019       4.409165  -16.09327      74.61336 
1 1 1 12  -13 18 o 99.87701 46.68607 1.960212       7.299130  -2.883277      7.061377  15.07606       75.28844 
1 1 1 12  -12 0  o 167.4318 45.85488 9.920988       4.842281  3.670781       4.963446  56.70868       77.38569 
1 1 1 12  -12 1  o 511.3624 31.24513 0.000000       0.000000  59.65148       6.974841  ?              ?        
1 1 1 12  -12 2  o 72.35215 34.60855 -6.885834      4.191717  -0.3558281     4.634491  -33.77634      62.11819 
1 1 1 12  -12 3  o 187.2249 38.27880 8.253972       4.100734  8.500715       4.520973  -2.013657      72.78461 
1 1 1 12  -12 4  o 184.8158 39.01394 4.843702       4.090642  12.46656       4.622064  -78.57936      70.55164 
1 1 1 12  -12 5  f 204.3587 36.24348 13.49109       4.334350  5.966376       4.524334  77.79150       69.44078 
1 1 1 12  -12 6  o 359.4007 23.63022 31.44241       5.153425  26.65866       5.328947  31.89090       48.70694 
1 1 1 12  -12 7  o 210.6711 35.75167 8.480979       4.229877  13.25266       4.842663  -46.84750      71.03835 
1 1 1 12  -12 8  o 86.37691 38.34804 1.451527       3.988777  -2.903803      4.227915  22.17963       64.25266 
1 1 1 12  -12 9  o 220.4066 33.78826 9.471969       4.342668  13.92400       4.614818  -44.36761      68.97545 
1 1 1 12  -12 10 o 290.3096 27.27794 21.69765       5.225802  17.85852       4.553025  26.74268       57.20339 
1 1 1 12  -12 11 o 143.7699 42.17002 5.793523       3.971210  4.743418       4.038927  10.13501       71.82526 
1 1 1 12  -12 12 o 110.0227 42.60633 3.834707       4.470974  1.542863       3.878529  20.75111       69.70214 
1 1 1 12  -12 13 o 206.2705 38.40863 8.106355       5.196862  12.67682       4.375799  -50.81883      74.85975 
1 1 1 12  -12 14 o 228.3659 38.46345 10.30774       5.807508  15.42701       4.835603  -57.34145      78.02752 
1 1 1 12  -12 15 o 138.7838 45.93460 3.627445       5.080810  6.580758       4.238337  -22.06644      74.84825 
1 1 1 12  -12 16 o 157.2669 46.96865 10.08530       6.113167  5.841228       4.245642  28.22844       81.13902 
1 1 1 12  -12 17 o 109.4353 43.63358 -0.3421816     4.756397  5.202455       4.207413  -32.22314      69.21000 
1 1 1 12  -12 18 o 132.0091 44.96649 5.270215       4.607524  4.908296       4.233058  2.908844       73.25251 
1 1 1 12  -12 19 o 102.9286 42.88098 0.2803549      4.690754  3.901629       4.401252  -19.15097      68.38347 
1 1 1 12  -11 0  o 151.9452 42.14891 6.964293       3.986016  3.866242       4.250255  30.09335       72.16937 
1 1 1 12  -11 1  o 140.2195 43.51314 -0.2846641     3.964419  10.67597       4.432137  -104.2135      67.15899 
1 1 1 12  -11 2  o 311.9943 25.28850 21.97980       4.775453  21.79568       4.933044  1.927399       51.86933 
1 1 1 12  -11 3  o 196.9840 36.97815 13.49088       4.412554  4.955272       4.294983  87.98544       68.56255 
1 1 1 12  -11 4  o 286.9616 26.05502 15.01288       4.304228  23.23061       4.935241  -64.58238      53.94196 
1 1 1 12  -11 5  o 213.2632 36.52135 16.83346       4.625832  4.258456       4.690433  121.7648       68.01102 
1 1 1 12  -11 6  o 261.4501 30.73910 16.70494       4.763764  14.45735       5.027311  21.68568       64.49000 
1 1 1 12  -11 7  o 508.9704 20.16802 56.44312       6.178462  59.16265       6.547460  -11.35336      40.77880 
1 1 1 12  -11 8  o 548.4677 19.64217 64.86446       6.396900  69.67484       6.985912  -18.57446      39.74018 
1 1 1 12  -11 9  o 148.8388 41.96199 4.190478       3.890586  6.799739       4.208743  -27.32478      72.13670 
1 1 1 12  -11 10 o 281.5075 26.69642 19.27083       4.526323  16.92985       4.690347  20.79504       55.95600 
1 1 1 12  -11 11 o 294.9605 25.14002 19.39970       4.504623  20.42634       4.609329  -7.640869      52.12636 
1 1 1 12  -11 12 o 195.6339 35.00551 5.805577       4.096732  12.72377       4.087568  -74.21034      67.11150 
1 1 1 12  -11 13 o 100.7179 40.95769 3.054571       4.475820  0.5683330      3.667279  24.13645       67.74533 
1 1 1 12  -11 14 o 179.2174 40.54648 11.55180       4.871269  6.024735       4.046443  52.53174       74.43621 
1 1 1 12  -11 15 o 121.7751 44.53257 0.2706334      4.860949  5.927018       4.026296  -37.06644      70.82425 
1 1 1 12  -11 16 o 161.4609 44.35497 1.482689       4.829640  11.82714       4.362526  -90.10970      70.26710 
1 1 1 12  -11 17 o 121.3934 44.13070 -0.2943399     4.362100  7.866789       4.235023  -60.86322      69.19592 
1 1 1 12  -11 18 o 98.45733 41.53141 2.368523       4.550353  0.7894105      4.155964  11.92847       67.38167 
1 1 1 12  -11 19 o 190.2801 40.12119 8.658500       4.534512  11.20649       4.639905  -24.48308      76.36136 
1 1 1 12  -11 20 o 116.6908 51.17747 0.9707559      6.853212  5.173867       7.373693  -16.96475      80.72420 
1 1 1 12  -10 0  o 136.3564 42.79668 5.869088       3.941512  2.622341       4.125112  29.77941       71.19431 
1 1 1 12  -10 1  o 211.7577 31.09296 8.631907       3.773587  12.41125       4.183503  -39.32616      63.26915 
1 1 1 12  -10 2  o 148.5899 40.32040 5.730583       3.775832  4.764536       3.845914  10.03033       70.18146 
1 1 1 12  -10 3  o 65.84308 31.65251 -4.447763      3.754701  -3.097093      3.808200  -6.671944      56.05281 
1 1 1 12  -10 4  o 182.0677 37.65283 7.185070       4.018558  8.511078       4.212397  -14.42415      70.99267 
1 1 1 12  -10 5  o 196.1478 36.27847 10.22908       4.309671  7.817381       4.195853  25.84952       70.35757 
1 1 1 12  -10 6  o 389.8609 20.77409 31.42422       4.840454  36.55157       5.189432  -29.53616      42.02243 
1 1 1 12  -10 7  o 473.9243 19.39682 52.23659       5.546838  47.18386       5.845555  25.18167       39.34383 
1 1 1 12  -10 8  o 733.8851 19.04922 118.2450       8.450686  120.8261       8.895876  -7.205017      38.38557 
1 1 1 12  -10 9  o 136.6018 42.46259 4.852714       3.883515  3.825634       4.078754  8.828445       71.50711 
1 1 1 12  -10 10 o 398.0527 21.25590 42.37772       5.380538  29.24374       5.090475  75.52118       43.58288 
1 1 1 12  -10 11 o 270.0011 26.97889 16.30761       4.381328  17.01171       4.539224  -5.374634      56.14831 
1 1 1 12  -10 12 o 167.7254 38.95956 5.139045       3.912024  8.755816       4.042745  -38.98592      70.27380 
1 1 1 12  -10 13 o 303.8402 23.77837 24.04042       4.578166  18.38031       4.324721  42.49365       49.32605 
1 1 1 12  -10 14 o 305.4853 25.47307 23.99522       5.066381  19.60696       4.542789  30.31863       53.10616 
1 1 1 12  -10 15 o 91.22437 39.33099 1.621422       4.654065  -0.2593869     3.627081  21.23740       65.91948 
1 1 1 12  -10 16 o 77.93367 36.12479 -4.045740      4.699087  -0.1863839     3.768621  -7.215996      61.01392 
1 1 1 12  -10 17 o 174.1477 42.80539 8.184923       5.461179  8.162380       4.036846  -5.802628      77.83953 
1 1 1 12  -10 18 o 130.2955 43.66919 2.501809       4.361903  6.454175       3.979083  -31.99618      70.65673 
1 1 1 12  -10 19 o 135.5983 43.81929 3.930098       4.409317  6.174096       4.018128  -18.86654      72.01540 
1 1 1 12  -10 20 o 129.0233 44.88789 4.111217       4.406560  5.400214       4.394785  -9.904243      72.77267 
1 1 1 12  -10 21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  -9  0  o 283.6682 24.31915 15.98559       3.988316  20.83217       4.541515  -37.90924      49.92111 
1 1 1 12  -9  1  o 176.2153 36.36017 6.810805       3.699949  7.908136       4.003196  -12.27719      68.67989 
1 1 1 12  -9  2  o 251.5937 26.68861 12.57196       3.991257  16.27762       4.222073  -33.92332      55.42773 
1 1 1 12  -9  3  o 267.1523 24.54182 15.74249       3.896059  16.40580       4.160259  -4.893433      50.54480 
1 1 1 12  -9  4  o 257.7848 25.63940 15.93762       3.981898  13.97462       4.112634  18.54375       53.27200 
1 1 1 12  -9  5  o 548.5545 17.97435 67.55641       6.113986  65.80006       6.102126  7.331726       36.19076 
1 1 1 12  -9  6  o 457.2080 18.52518 48.41093       5.328708  44.43885       5.161582  19.64658       37.34790 
1 1 1 12  -9  7  o 346.1760 21.86622 28.53190       4.462226  24.51300       4.913427  28.21817       45.14957 
1 1 1 12  -9  8  o 302.2064 23.20850 19.08066       4.151654  21.98653       4.504910  -21.39407      47.33318 
1 1 1 12  -9  9  o 90.84837 38.22033 -1.203971      3.572240  2.117017       3.754269  -26.41981      63.76632 
1 1 1 12  -9  10 o 355.1004 22.56005 28.35687       4.799368  27.96906       5.101993  3.381805       45.95824 
1 1 1 12  -9  11 o 262.8855 27.46178 13.05558       4.225363  18.88086       4.626481  -50.59448      57.27532 
1 1 1 12  -9  12 o 187.5492 47.85209 8.724944       3.948856  0.000000       0.000000  ?              ?        
1 1 1 12  -9  13 o 183.0856 34.94678 12.33766       3.859812  3.818129       3.789611  92.52251       63.66004 
1 1 1 12  -9  14 o 79.25152 35.52164 -2.599885      3.631987  0.9835663      3.587062  -20.92042      59.93705 
1 1 1 12  -9  15 o 268.8285 26.65309 17.33690       4.594394  16.27948       4.203982  6.501556       56.11124 
1 1 1 12  -9  16 o 85.67665 38.04280 -2.453918      4.576838  1.051193       3.655766  -9.206711      63.15044 
1 1 1 12  -9  17 o 132.9498 44.46447 3.085591       4.577173  5.737015       4.085437  -20.48103      72.85117 
1 1 1 12  -9  18 o 93.84994 40.48781 1.543531       5.002767  0.2219907      3.818344  17.26679       67.30268 
1 1 1 12  -9  19 o 99.00308 40.32491 1.414524       4.095901  2.120802       3.722939  -2.110916      65.33665 
1 1 1 12  -9  20 o 106.9114 43.59284 6.951206       5.250302  -0.3705500     4.084308  51.49931       71.86713 
1 1 1 12  -9  21 o 87.37737 38.64545 1.541419       4.215526  -0.7824107     4.046369  13.78107       63.29574 
1 1 1 12  -8  0  o 271.7449 24.39051 17.70699       4.042686  15.41658       4.093379  20.01694       50.31235 
1 1 1 12  -8  1  o 521.9014 17.73770 62.71970       5.761431  57.88781       5.707293  21.16467       35.71155 
1 1 1 12  -8  2  o 568.0718 17.53537 72.08026       6.028965  70.59773       6.325359  6.455444       35.32824 
1 1 1 12  -8  3  o 411.9402 18.96659 36.78373       4.743342  38.51951       4.929263  -9.351410      38.25705 
1 1 1 12  -8  4  o 869.1794 18.31304 166.2140       9.760328  167.9101       9.991404  -4.119934      36.84173 
1 1 1 12  -8  5  o 470.9822 17.79018 51.53831       5.141986  46.57419       5.235753  24.39355       35.90731 
1 1 1 12  -8  6  o 352.8115 19.97862 25.90709       4.155996  29.80861       4.584651  -24.53137      40.43262 
1 1 1 12  -8  7  o 447.3252 18.10639 40.52482       4.788712  48.97097       5.274102  -42.35986      36.48465 
1 1 1 12  -8  8  o 265.2315 22.99903 13.49869       3.763535  17.97832       3.729963  -39.89156      47.87568 
1 1 1 12  -8  9  o 413.6798 27.61542 0.000000       0.000000  38.40401       4.982222  ?              ?        
1 1 1 12  -8  10 o 292.2014 23.25821 14.49399       3.973241  24.77717       4.425141  -80.55104      48.39336 
1 1 1 12  -8  11 o 324.5769 27.29791 37.28253       7.102342  18.06934       4.582248  122.3818       56.09375 
1 1 1 12  -8  12 o 246.2724 37.63313 14.16793       3.936422  0.000000       0.000000  ?              ?        
1 1 1 12  -8  13 o 384.9754 20.28716 33.92411       4.829969  32.26791       4.825312  9.945862       41.13097 
1 1 1 12  -8  14 o 85.30344 36.91798 0.2861578      3.574810  -0.3760176     3.608355  3.994576       61.70347 
1 1 1 12  -8  15 o 95.62357 38.73989 -0.5202875     3.593352  2.879782       3.553638  -25.55468      63.50481 
1 1 1 12  -8  16 o 235.0097 29.62384 13.34166       4.563187  12.72357       3.948826  1.475204       62.88437 
1 1 1 12  -8  17 o 188.9827 36.60646 7.871113       4.641092  9.570518       3.767016  -22.87643      71.39073 
1 1 1 12  -8  18 o 102.5975 41.00332 3.653815       4.379675  0.6692496      3.618249  27.45802       67.59782 
1 1 1 12  -8  19 o 230.1906 31.61570 11.58652       4.393384  14.37453       4.397291  -28.81618      67.20797 
1 1 1 12  -8  20 f 104.1793 40.75702 3.067767       4.062760  1.810217       3.619627  11.99072       66.19779 
1 1 1 12  -8  21 o 84.86692 37.22807 2.456441       3.868947  -1.533909      3.656678  25.41206       61.34809 
1 1 1 12  -8  22 o 82.13896 37.23625 -1.296609      4.089657  0.5109085      4.105672  -9.051224      61.42113 
1 1 1 12  -7  0  o 249.1037 24.51153 13.25235       3.648104  14.66238       3.836218  -12.72218      50.44614 
1 1 1 12  -7  1  o 186.2526 44.13209 8.227602       3.549843  0.000000       0.000000  ?              ?        
1 1 1 12  -7  2  o 159.0239 36.12831 3.737896       3.367309  8.416089       3.610512  -54.74797      64.43411 
1 1 1 12  -7  3  o 343.0199 20.26097 29.89673       4.351560  22.52910       4.234773  49.45157       41.30222 
1 1 1 12  -7  4  o 142.4946 38.82061 5.263264       3.342392  4.090450       3.738678  10.99217       67.45220 
1 1 1 12  -7  5  o 566.2273 16.99397 74.31956       5.992378  67.35607       5.932574  28.10968       34.17483 
1 1 1 12  -7  6  f 320.7322 20.91489 24.81929       4.077429  20.79477       4.202323  29.43027       42.75393 
1 1 1 12  -7  7  f 400.8277 18.38347 34.39775       4.470062  36.86060       4.652887  -13.81360      37.05623 
1 1 1 12  -7  8  o 387.4856 18.34503 36.78522       4.514221  30.10166       4.288441  39.24612       37.05111 
1 1 1 12  -7  9  o 85.01423 35.60199 1.543564       3.215646  -0.7149438     3.094057  19.50663       59.37522 
1 1 1 12  -7  10 o 539.9385 16.95515 66.36613       5.619084  62.48940       5.726099  16.64636       34.13886 
1 1 1 12  -7  11 o 327.8043 30.61467 0.000000       0.000000  24.27712       4.351043  ?              ?        
1 1 1 12  -7  12 o 242.4851 31.70382 13.14880       4.028703  13.96791       5.707730  -1.851685      68.48250 
1 1 1 12  -7  13 o 315.9804 21.62317 21.57079       4.134130  23.09339       4.296129  -10.73541      43.97757 
1 1 1 12  -7  14 f 233.8385 28.00405 9.947541       3.808854  15.55706       4.179820  -54.75562      58.36250 
1 1 1 12  -7  15 o 334.5601 20.81095 26.26110       4.258696  23.92275       4.337601  16.56897       42.47734 
1 1 1 12  -7  16 o 207.0501 30.16955 13.80760       3.898498  6.761043       3.637179  75.96498       61.33489 
1 1 1 12  -7  17 o 384.9744 20.97674 34.33030       5.235502  32.92271       4.776921  6.149780       42.98056 
1 1 1 12  -7  18 o 124.9814 43.28498 4.067435       4.441667  3.666991       3.810168  6.341454       71.44298 
1 1 1 12  -7  19 o 112.4473 43.14964 3.086784       4.780849  2.519386       3.822242  10.08842       70.71333 
1 1 1 12  -7  20 o 78.95475 35.37282 0.6313178      3.768236  -1.268980      3.408369  14.95765       59.20887 
1 1 1 12  -7  21 o 78.15220 35.35673 -0.6592629E-01 3.885499  -1.024861      3.490049  9.408783       59.09164 
1 1 1 12  -7  22 o 72.02316 33.57446 -2.959712      3.749298  -0.6387433E-01 3.597610  -12.08707      56.49969 
1 1 1 12  -7  23 o 114.7566 42.59170 1.550952       4.043858  5.512642       4.028592  -29.66338      68.14357 
1 1 1 12  -6  0  o 533.6655 16.67255 62.94393       5.465364  62.80598       5.561030  0.7164917      33.50569 
1 1 1 12  -6  1  f 408.6084 17.80621 40.25787       4.616223  33.88560       4.396741  35.47107       35.88137 
1 1 1 12  -6  2  o 243.9954 24.77602 13.47028       3.666025  13.21107       3.730915  2.703720       51.02151 
1 1 1 12  -6  3  o 405.6523 17.93034 37.18628       4.529486  35.59553       4.472544  8.928711       36.10480 
1 1 1 12  -6  4  o 814.9667 17.29062 145.9199       8.714695  147.0644       8.767768  -3.154297      34.73542 
1 1 1 12  -6  5  o 629.6833 16.62464 88.59706       6.499234  86.35599       6.476815  8.123779       33.37984 
1 1 1 12  -6  6  o 219.7132 26.30217 13.80145       3.423126  7.610921       3.611744  67.03236       56.10228 
1 1 1 12  -6  7  o 771.8621 16.96343 136.2981       8.227974  126.7291       8.020261  28.13544       34.08273 
1 1 1 12  -6  8  o 304.8829 20.16819 22.73652       3.825540  18.62145       3.761033  31.15302       41.04401 
1 1 1 12  -6  9  o 234.2821 24.13807 16.13148       3.452833  8.481550       3.462862  77.62761       52.20055 
1 1 1 12  -6  10 o 476.7751 16.50241 52.57368       4.942993  48.04511       4.806448  21.57397       33.19409 
1 1 1 12  -6  11 o 501.6583 20.02822 44.97390       7.697486  61.09910       5.359236  -81.31912      46.42286 
1 1 1 12  -6  12 f 134.7713 40.07097 4.389952       3.488190  3.983253       3.713816  2.904465       68.27055 
1 1 1 12  -6  13 o 167.9417 35.37925 6.013156       3.534514  7.197948       3.604889  -13.94403      66.19460 
1 1 1 12  -6  14 o 216.5307 27.99688 10.67168       3.652950  10.68572       3.692494  0.6271362E-02  57.85106 
1 1 1 12  -6  15 o 478.2222 17.34522 50.05824       5.094585  51.49362       5.180402  -6.707458      34.96552 
1 1 1 12  -6  16 o 332.6504 20.19190 24.93324       4.076972  24.65273       4.220710  2.478180       41.10421 
1 1 1 12  -6  17 o 89.71511 36.58231 1.062379       3.218003  0.8392834      3.203502  1.956116       60.37609 
1 1 1 12  -6  18 o 102.4855 39.51954 4.355884       3.967320  0.4008455      3.247156  38.83065       65.34727 
1 1 1 12  -6  19 o 87.21643 38.03989 2.483735       4.271697  -1.571626      3.571435  32.49322       64.10506 
1 1 1 12  -6  20 f 209.3685 35.28224 6.047793       4.930369  14.18559       4.040437  -86.84991      69.03401 
1 1 1 12  -6  21 o 93.96201 38.61539 1.387462       3.800322  1.414278       3.450470  2.750206       62.95392 
1 1 1 12  -6  22 o 95.87939 39.44740 2.340052       3.945213  0.8629305      3.626115  12.52042       64.22591 
1 1 1 12  -6  23 o 90.96294 38.74677 1.104704       3.848966  1.052512       3.830943  0.4606705      62.90566 
1 1 1 12  -6  24 f 207.8284 42.62151 14.50961       8.138844  11.55000       4.232216  -17.35852      85.94569 
1 1 1 12  -5  0  o 350.6885 19.25730 28.10527       4.092181  26.31403       4.259105  12.08258       38.99437 
1 1 1 12  -5  1  o 86.89710 36.36672 2.304613       3.186429  -1.840380      3.397185  28.86380       60.12482 
1 1 1 12  -5  2  o 650.4331 16.37381 96.21860       6.644421  90.52078       6.558824  19.95471       32.87732 
1 1 1 12  -5  3  o 1124.111 19.82504 269.0604       13.48384  290.5977       14.19169  -43.27710      39.83009 
1 1 1 12  -5  4  o 267.6324 22.46373 19.20788       3.747045  12.90701       3.645062  54.93227       46.79539 
1 1 1 12  -5  5  o 99.34874 37.51476 2.732567       3.180663  0.5982915      3.138433  20.34466       61.79386 
1 1 1 12  -5  6  o 347.8694 18.61654 25.61146       3.876390  28.11874       4.142097  -16.15762      37.56281 
1 1 1 12  -5  7  o 104.1962 37.65203 -0.5036557     3.004951  5.069810       3.253672  -57.77006      60.48157 
1 1 1 12  -5  8  o 487.5553 16.16634 52.51534       4.875134  52.36135       4.890093  0.7414246      32.47523 
1 1 1 12  -5  9  o 262.1068 22.22058 15.88905       3.590004  14.74788       3.567770  10.12329       45.39600 
1 1 1 12  -5  10 o 136.8826 35.68011 4.863226       3.038718  3.868652       3.081839  11.86172       62.70043 
1 1 1 12  -5  11 o 265.7589 21.63494 14.97596       3.644377  16.45688       3.436413  -13.62381      44.45923 
1 1 1 12  -5  12 o 263.9639 21.61910 14.69836       3.532447  16.39366       3.485962  -15.15884      44.27154 
1 1 1 12  -5  13 o 214.2699 28.18091 9.093405       3.460746  12.08484       3.886091  -31.08963      57.91555 
1 1 1 12  -5  14 o 88.18388 37.08340 -2.602242      3.229818  4.197198       3.704945  -58.95324      61.85374 
1 1 1 12  -5  15 o 529.5693 16.60149 61.45049       5.373646  62.71222       5.523232  -5.200867      33.40382 
1 1 1 12  -5  16 o 120.1164 38.66430 4.364979       3.287803  2.243298       3.256648  22.43172       64.39394 
1 1 1 12  -5  17 o 193.7810 28.24799 8.671786       3.283534  8.720551       3.308094  -0.4608154     57.94912 
1 1 1 12  -5  18 o 83.27609 35.42033 2.230008       3.429218  -1.177258      3.012505  30.75273       59.36200 
1 1 1 12  -5  19 o 233.7987 27.41938 13.04619       4.247272  12.63834       3.627868  -1.011917      58.58222 
1 1 1 12  -5  20 f 184.0893 44.75302 0.000000       0.000000  8.919990       3.578089  ?              ?        
1 1 1 12  -5  21 o 174.9879 34.58271 8.964197       3.804707  6.629516       3.461153  24.86824       66.78274 
1 1 1 12  -5  22 o 223.5994 28.46532 10.58317       3.942183  13.56446       3.780590  -34.16397      61.28595 
1 1 1 12  -5  23 o 99.64275 39.15345 1.119442       3.515927  3.157281       3.565244  -15.86545      63.33232 
1 1 1 12  -5  24 o 154.7876 50.29939 7.497490       3.910091  0.000000       0.000000  ?              ?        
1 1 1 12  -4  0  o 145.0391 36.17299 4.306194       3.072925  5.678581       3.445750  -17.69713      64.53622 
1 1 1 12  -4  1  o 444.2355 16.95142 42.63820       4.526996  44.68486       4.811400  -10.16473      34.11961 
1 1 1 12  -4  2  o 807.8555 16.95302 148.9579       8.586441  139.2756       8.407693  27.21393       34.06741 
1 1 1 12  -4  3  o 247.3271 23.08928 13.81453       3.494612  13.55576       3.508374  2.501144       47.37865 
1 1 1 12  -4  4  f 975.5244 18.12773 214.4134       11.11918  206.2128       10.82625  18.85773       36.43159 
1 1 1 12  -4  5  o 307.8216 19.53295 21.45629       3.785694  20.63538       3.639697  5.870148       39.54715 
1 1 1 12  -4  6  o 177.9489 30.25940 10.56897       3.228229  3.974045       3.213290  78.73161       57.90179 
1 1 1 12  -4  7  o 574.0187 15.43531 69.06467       5.340307  76.64263       5.655540  -29.84338      30.98006 
1 1 1 12  -4  8  o 202.2975 37.89841 0.000000       0.000000  9.479182       3.239349  ?              ?        
1 1 1 12  -4  9  o 170.0816 31.68634 10.07710       3.322654  3.623040       3.126492  77.60231       58.70171 
1 1 1 12  -4  10 o 175.5528 36.76434 7.157953       4.506436  7.178090       3.451410  0.7675629      69.90929 
1 1 1 12  -4  11 o 115.3151 43.19326 1.794707       4.151307  2.915497       4.188436  -9.475388      71.29633 
1 1 1 12  -4  12 o 84.79089 37.84111 2.004430       4.065297  -3.988198      4.033256  36.20586       64.30068 
1 1 1 12  -4  13 o 635.7396 21.84915 88.40883       8.727223  91.06882       8.485230  -10.09082      44.09620 
1 1 1 12  -4  14 o 470.8905 23.23159 52.07343       6.694142  46.48069       6.838304  27.74780       47.13123 
1 1 1 12  -4  15 o 474.6432 24.60283 49.33712       6.985556  51.31005       7.477778  -8.474640      49.89241 
1 1 1 12  -4  16 o 132.3132 46.27053 3.078189       4.452668  4.615409       4.944488  -16.08304      76.72134 
1 1 1 12  -4  17 o 403.4686 25.82569 41.84286       6.591566  32.12645       6.279232  55.02087       53.03767 
1 1 1 12  -4  18 o 193.9133 41.10085 6.884146       4.917241  11.29641       4.672558  -44.33748      76.21139 
1 1 1 12  -4  19 o 244.6524 43.03558 15.53450       6.938791  14.43649       5.799150  2.267502       87.05639 
1 1 1 12  -4  20 o 116.6236 48.64382 -11.04010      10.22077  4.675406       4.524713  -20.54977      78.60445 
1 1 1 12  -4  21 o 258.4389 50.96216 0.000000       0.000000  18.21249       5.571674  ?              ?        
1 1 1 12  -4  22 o 188.4460 47.29248 6.893567       5.851738  12.33938       5.237065  -48.85614      82.54128 
1 1 1 12  -4  23 o 94.86909 42.89309 -4.073095      5.354418  3.846192       5.434888  -34.88271      70.76905 
1 1 1 12  -4  24 f 125.5336 52.17177 4.762046       6.638171  3.751709       6.754773  4.234619       81.92138 
1 1 1 12  -4  25 o 113.1299 50.36114 3.327554       7.555564  1.467085       6.760644  8.929443       79.58090 
1 1 1 12  -3  0  o 159.2455 33.37925 6.665481       3.105858  5.024886       3.285075  20.10164       62.32853 
1 1 1 12  -3  1  o 434.6863 16.45819 41.27315       4.402244  42.24018       4.457984  -5.023102      33.10421 
1 1 1 12  -3  2  o 128.1464 37.56578 2.251494       3.085395  5.548501       3.280987  -38.42610      63.24722 
1 1 1 12  -3  3  o 733.5787 16.14461 121.5528       7.393552  116.1150       7.300673  16.84753       32.45404 
1 1 1 12  -3  4  o 760.0342 16.25926 127.2650       7.619497  127.8288       7.712698  -1.565063      32.68393 
1 1 1 12  -3  5  o 318.3905 18.88629 24.95484       3.789493  20.24386       3.641643  33.86237       38.30529 
1 1 1 12  -3  6  o 290.3301 28.88708 18.11314       5.047641  19.98834       5.223997  -14.66507      59.67918 
1 1 1 12  -3  7  o 390.6439 22.92581 38.37713       5.766285  30.18463       5.322465  47.45029       46.47689 
1 1 1 12  -3  8  o 116.0901 43.04662 3.397187       4.035809  1.410012       4.212090  14.64471       70.90176 
1 1 1 12  -3  9  o 398.7096 23.07993 38.04483       5.762771  32.71395       5.608199  30.61185       46.75220 
1 1 1 12  -3  10 o 174.5379 39.24251 9.139311       4.225897  5.240928       4.069097  42.08356       71.11529 
1 1 1 12  -3  11 o 769.6736 22.62384 129.1971       10.64602  133.3669       10.93979  -12.01001      45.53194 
1 1 1 12  -3  12 o 448.5178 18.77891 43.42617       4.507196  46.68917       6.406405  -13.62256      39.81729 
1 1 1 12  -3  13 o 599.8144 16.40338 94.36174       6.193550  65.43323       6.005966  110.4128       33.35899 
1 1 1 12  -3  14 o 452.4561 19.02319 46.03390       4.700950  44.17824       6.296763  12.47739       40.37202 
1 1 1 12  -3  15 o 372.6220 24.73499 31.98792       5.780662  30.06967       5.593952  11.50314       50.26443 
1 1 1 12  -3  16 o 504.7493 22.88571 56.43693       7.116473  57.02309       7.177969  -2.545105      46.25981 
1 1 1 12  -3  17 o 490.0819 22.92463 52.47617       6.892006  54.94272       7.009396  -11.31543      46.44572 
1 1 1 12  -3  18 o 408.3956 23.21476 36.47975       5.665391  38.68124       6.069283  -11.06250      47.30523 
1 1 1 12  -3  19 o 294.9473 27.20994 17.37738       4.709216  23.09983       5.167192  -43.33694      56.80648 
1 1 1 12  -3  20 o 403.5988 22.75694 43.71837       5.765599  30.84643       5.587323  73.81308       47.29161 
1 1 1 12  -3  21 o 204.3620 35.99865 13.82484       4.613666  7.426799       4.208080  64.13483       70.58690 
1 1 1 12  -3  22 o 253.0650 30.07200 18.88041       4.892185  12.58941       4.403391  54.72630       64.36717 
1 1 1 12  -3  23 o 86.62464 37.63762 -1.282887      4.132842  1.665258       3.477335  -11.23543      61.56703 
1 1 1 12  -3  24 f 197.8227 35.34698 9.066829       4.390781  10.89948       3.994045  -23.93085      71.02772 
1 1 1 12  -3  25 o 214.6791 32.82949 7.444174       4.339981  15.74558       4.133942  -88.85446      66.83781 
1 1 1 12  -2  0  o 609.9497 15.78191 85.28863       6.046092  79.05225       5.889580  23.21033       31.69001 
1 1 1 12  -2  1  o 161.8716 32.71533 5.586585       3.119369  6.639281       3.227159  -13.17204      61.93221 
1 1 1 12  -2  2  o 243.4453 21.60784 12.04811       3.147547  14.60751       3.317616  -24.08521      44.33701 
1 1 1 12  -2  3  o 444.8260 15.77312 46.41454       4.417770  41.27737       4.276594  26.24994       31.74610 
1 1 1 12  -2  4  o 755.8577 22.80833 126.8854       10.51133  127.8524       10.86127  -2.125366      46.07382 
1 1 1 12  -2  5  o 405.9659 23.19463 36.80277       5.753738  36.85779       5.881924  0.3335571E-01  47.07780 
1 1 1 12  -2  6  o 322.0973 27.17377 20.86465       5.288691  26.06016       5.473719  -37.28653      56.06532 
1 1 1 12  -2  7  f 115.4838 44.12894 2.540128       4.230974  1.910991       4.598928  1.229492       72.80820 
1 1 1 12  -2  8  o 362.9400 19.87748 31.41673       3.914972  25.19570       5.316017  43.36432       44.16684 
1 1 1 12  -2  9  o 583.4669 17.50891 72.03678       5.501435  81.32593       7.698166  -33.27356      36.57056 
1 1 1 12  -2  10 o 340.3024 23.21220 26.44543       4.958236  25.11137       4.787607  8.744507       47.09359 
1 1 1 12  -2  11 o 661.5190 21.38629 105.7155       9.071086  89.03770       8.486883  56.96057       43.03231 
1 1 1 12  -2  12 o 535.5495 21.19754 69.76565       7.245271  57.94675       6.829495  50.02216       42.71982 
1 1 1 12  -2  13 o 219.3546 47.18821 11.41128       4.405451  0.000000       0.000000  ?              ?        
1 1 1 12  -2  14 o 244.6911 30.30252 16.28115       4.560140  11.06343       4.444715  49.79973       63.10123 
1 1 1 12  -2  15 o 464.4401 31.16450 48.60469       6.312046  0.000000       0.000000  ?              ?        
1 1 1 12  -2  16 o 241.4922 27.06964 10.22850       4.653529  14.84972       3.541292  -49.34357      60.91111 
1 1 1 12  -2  17 o 62.25135 29.70217 -0.1519665E-01 3.232919  -5.642696      3.158960  30.18400       53.15128 
1 1 1 12  -2  18 o 232.7993 22.94595 9.787809       3.212770  14.83115       3.331664  -50.76270      48.22398 
1 1 1 12  -2  19 o 319.9077 18.30997 22.04629       3.585032  23.70675       3.652619  -11.80215      37.15434 
1 1 1 12  -2  20 o 105.3381 36.09249 1.085508       2.868728  3.825256       2.813979  -28.47742      59.05174 
1 1 1 12  -2  21 o 369.6983 18.17435 27.71779       4.592462  32.97352       3.822933  -37.50110      38.63145 
1 1 1 12  -2  22 o 303.9126 21.79116 24.55768       5.145590  19.61784       3.485229  25.69397       47.21437 
1 1 1 12  -2  23 o 179.3020 29.81467 5.763748       3.342888  9.617912       3.073502  -49.15367      59.76890 
1 1 1 12  -2  24 o 245.3562 22.75993 14.90087       3.520005  13.47409       3.336488  12.02614       48.14047 
1 1 1 12  -2  25 o 250.5812 24.24934 18.67230       3.882311  11.90392       3.580543  61.86220       52.67132 
1 1 1 12  -2  26 o 151.0094 36.79456 8.859022       3.629206  4.140995       3.234014  49.98212       65.23574 
1 1 1 12  -1  0  o 427.1003 16.70033 42.32230       4.422220  38.32471       4.409892  21.47757       33.64095 
1 1 1 12  -1  1  o 474.6880 16.18124 49.49137       4.736687  50.13856       4.779080  -3.060211      32.54295 
1 1 1 12  -1  2  o 363.5224 17.49238 24.37205       3.755943  35.30337       4.137632  -68.15710      35.46577 
1 1 1 12  -1  3  o 274.3402 29.01414 23.42313       4.980503  11.38664       4.753187  103.2237       62.71586 
1 1 1 12  -1  4  o 310.1154 26.60230 23.71732       5.053198  19.73103       5.083169  30.47336       55.15067 
1 1 1 12  -1  5  o 486.8395 21.93455 50.59003       6.363427  55.63992       6.881198  -22.53140      44.42105 
1 1 1 12  -1  6  o 340.7714 24.82670 23.04153       5.007866  29.72145       5.443449  -44.19421      50.81863 
1 1 1 12  -1  7  o 290.5046 22.69254 20.35317       3.654602  16.57424       4.630142  34.23178       49.75835 
1 1 1 12  -1  8  f 1054.478 26.07116 259.1947       17.55504  238.4546       16.59268  43.05676       52.74081 
1 1 1 12  -1  9  o 675.5005 21.40380 107.7921       9.240640  95.38557       8.698793  41.20276       43.11229 
1 1 1 12  -1  10 o 294.8817 25.18509 18.25970       4.578605  20.60675       4.547218  -18.74374      51.67700 
1 1 1 12  -1  11 o 224.6304 25.92713 13.36011       4.344671  10.32911       3.071021  27.32918       54.81458 
1 1 1 12  -1  12 o 593.0613 14.70345 69.10434       5.322963  86.30641       5.499826  -66.18915      29.62109 
1 1 1 12  -1  13 o 309.1400 24.72194 21.32578       3.324354  0.000000       0.000000  ?              ?        
1 1 1 12  -1  14 o 126.6618 34.31070 2.444735       2.756113  5.020000       2.767942  -32.28259      58.86929 
1 1 1 12  -1  15 o 507.7667 14.52208 60.39835       4.673891  53.66207       4.471695  30.09140       29.16564 
1 1 1 12  -1  16 o 379.8520 16.07133 30.37712       3.752208  33.44309       3.805009  -18.45868      32.36715 
1 1 1 12  -1  17 o 402.3105 16.22746 35.12142       4.130959  36.37935       3.957499  -7.460602      32.71935 
1 1 1 12  -1  18 o 327.7916 17.51561 24.45505       3.569462  23.26806       3.528142  8.261841       35.39759 
1 1 1 12  -1  19 o 426.6329 15.20813 38.66856       4.017883  42.00278       4.018878  -17.96033      30.65715 
1 1 1 12  -1  20 o 271.3202 19.38238 16.65914       3.257300  16.42123       3.224301  1.907684       39.58004 
1 1 1 12  -1  21 o 252.7398 20.32819 15.25128       3.478479  13.93207       2.915827  9.075699       42.27306 
1 1 1 12  -1  22 o 215.2215 25.43539 13.98529       3.927553  9.070873       2.942362  44.92459       53.74297 
1 1 1 12  -1  23 o 259.3513 22.59070 16.32384       4.269151  15.16420       3.168478  0.9419098      49.46634 
1 1 1 12  -1  24 o 144.1562 34.85237 3.326440       3.235227  7.081641       2.948559  -44.72314      61.08930 
1 1 1 12  -1  25 o 81.93923 34.36095 -2.128986      2.991373  3.589258       2.897293  -42.58315      55.52975 
1 1 1 12  -1  26 o 191.0719 29.14574 7.845167       3.564052  10.16952       3.162508  -33.09863      61.20783 
1 1 1 12  -1  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  0   0  o 711.6859 15.97721 110.3548       6.989289  113.1542       7.119545  -8.839722      32.10603 
1 1 1 12  0   1  o 734.1400 15.91066 119.4972       7.222203  118.5162       7.269528  3.131897       31.98606 
1 1 1 12  0   2  o 213.1548 24.79136 8.597617       3.147547  12.12585       3.291106  -38.49060      51.59917 
1 1 1 12  0   3  o 123.5453 44.06193 5.522180       4.327921  1.007995       4.194710  38.92410       71.96836 
1 1 1 12  0   4  o 179.7640 40.56861 7.782221       4.362547  7.735358       4.471663  0.4943542      74.70917 
1 1 1 12  0   5  o 231.6198 32.84527 12.72982       4.593095  12.11837       4.580858  6.095551       67.67802 
1 1 1 12  0   6  o 101.8280 40.99726 3.158601       3.955797  -0.5849764     3.993032  27.38055       67.36717 
1 1 1 12  0   7  o 187.4075 36.16726 12.75756       4.327972  4.787472       3.823270  84.95285       66.73870 
1 1 1 12  0   8  o 94.73802 39.09829 0.8576493      3.803902  0.6852016      3.649370  3.151260       64.91943 
1 1 1 12  0   9  o 377.1683 21.14333 32.86306       4.962434  30.49754       4.892318  14.34082       42.81675 
1 1 1 12  0   10 o 251.6699 19.84034 16.26076       3.100613  12.01069       3.044868  39.29103       40.88773 
1 1 1 12  0   11 o 271.7318 18.50540 18.44205       3.166186  14.46638       3.039066  33.61737       37.64236 
1 1 1 12  0   12 o 337.2493 22.91711 0.000000       0.000000  25.28109       3.369959  ?              ?        
1 1 1 12  0   13 o 146.9665 35.52136 4.076883       2.747799  7.045440       3.996452  -38.80920      65.20892 
1 1 1 12  0   14 o 510.8129 14.07529 57.81448       4.498263  57.17660       4.414430  2.768860       28.24603 
1 1 1 12  0   15 o 454.4726 14.04112 46.26022       4.024193  44.87925       3.886799  6.785065       28.20002 
1 1 1 12  0   16 f 287.3338 17.09571 17.73246       3.154909  18.78863       2.924836  -8.983704      34.76617 
1 1 1 12  0   17 o 955.0453 16.97924 198.0591       10.03466  204.6898       10.08369  -16.13110      34.09320 
1 1 1 12  0   18 o 52.06512 25.48371 -4.925384      2.929415  -2.734461      2.614125  -4.078217      45.91702 
1 1 1 12  0   19 o 410.4930 14.92884 37.35008       3.792834  37.24060       3.797385  0.6217041      30.04973 
1 1 1 12  0   20 o 192.7393 23.50835 6.514943       2.714542  10.53435       2.792260  -48.78185      49.27642 
1 1 1 12  0   21 o 229.8220 20.54880 10.91756       2.978487  12.89762       2.824868  -21.28452      42.95166 
1 1 1 12  0   22 o 246.2071 21.12279 14.33539       3.620690  13.56042       2.890879  2.280746       44.90942 
1 1 1 12  0   23 o 168.2226 31.32580 5.435756       3.809135  7.674108       2.743961  -31.55478      61.95874 
1 1 1 12  0   24 o 144.7382 32.30367 5.008329       2.949993  5.505013       2.717772  -7.308746      59.98054 
1 1 1 12  0   25 o 98.72540 36.25832 0.5498222      2.967059  3.963722       2.859574  -31.03259      58.26369 
1 1 1 12  0   26 o 179.0597 29.63547 8.175771       3.395284  8.007379       2.995534  -2.809372      61.12833 
1 1 1 12  0   27 o 84.55746 34.86024 1.909658       3.235102  0.7807574      2.739326  12.52599       56.85322 
1 1 1 12  1   0  o 193.5500 27.77933 8.490828       3.158529  8.547606       3.327702  -0.1722107     56.71610 
1 1 1 12  1   1  o 286.4098 20.01680 20.81735       3.571115  15.82609       3.497857  40.35077       41.02508 
1 1 1 12  1   2  o 469.0141 16.13050 48.36176       4.706234  49.02267       4.666040  -3.311737      32.46877 
1 1 1 12  1   3  o 269.0249 28.64532 16.02458       4.637958  16.97606       4.779120  -7.764038      59.57680 
1 1 1 12  1   4  o 393.9837 22.71545 34.87405       5.436344  34.66442       5.624526  1.826294       46.19611 
1 1 1 12  1   5  o 112.4982 36.50160 2.655894       2.907018  3.046227       2.918374  -4.416977      61.08036 
1 1 1 12  1   6  o 391.1806 22.60580 33.04491       5.473854  35.50610       5.450425  -14.68723      45.98439 
1 1 1 12  1   7  o 253.4629 29.21274 16.10981       4.660672  13.42979       4.371502  23.73103       60.83340 
1 1 1 12  1   8  o 245.5730 29.26210 11.17363       4.244349  16.72206       4.507575  -52.20992      61.14418 
1 1 1 12  1   9  o 1013.462 17.62888 227.3358       11.05193  227.4086       11.11387  -0.5786133E-01 35.42467 
1 1 1 12  1   10 o 477.2198 14.29087 47.96528       4.113238  52.80194       4.348032  -22.87140      28.70336 
1 1 1 12  1   11 o 252.8967 18.54137 13.73771       2.915607  14.65027       2.862135  -8.507553      37.69521 
1 1 1 12  1   12 o 510.0789 19.68333 0.000000       0.000000  57.54695       4.395633  ?              ?        
1 1 1 12  1   13 o 982.4495 17.09356 206.3348       10.21222  219.6941       10.63545  -30.66272      34.27433 
1 1 1 12  1   14 o 277.5199 17.21476 16.08640       2.931837  18.02922       2.966374  -16.10962      34.82856 
1 1 1 12  1   15 f 326.3012 15.68708 20.60909       3.132598  26.57030       3.200376  -41.93820      31.79237 
1 1 1 12  1   16 o 116.0563 32.74392 4.928634       2.571095  1.587344       2.360775  44.93343       55.00854 
1 1 1 12  1   17 o 413.3021 14.56965 38.63326       3.800693  36.83028       3.662207  9.804474       29.28211 
1 1 1 12  1   18 o 275.6136 24.48179 0.000000       0.000000  17.02967       2.928919  ?              ?        
1 1 1 12  1   19 o 340.4768 15.02956 26.54260       3.364371  24.95069       2.999869  10.00931       30.38910 
1 1 1 12  1   20 o 99.43303 33.84153 0.7627275      2.510471  3.483120       2.483428  -30.88969      55.32324 
1 1 1 12  1   21 o 301.0983 18.50299 19.92599       3.085066  20.98336       3.952365  -4.594116      38.71381 
1 1 1 12  1   22 o 125.8567 41.20117 3.874632       2.621082  0.000000       0.000000  ?              ?        
1 1 1 12  1   23 o 97.79020 34.21382 2.225361       3.105421  2.157415       2.226025  7.842087       57.30829 
1 1 1 12  1   24 o 314.2242 31.55574 24.04072       4.290487  0.000000       0.000000  ?              ?        
1 1 1 12  1   25 o 163.1523 27.50929 4.318263       2.737731  8.559637       2.635591  -57.01632      54.24247 
1 1 1 12  1   26 o 113.4530 35.44744 4.911693       2.932251  2.175243       2.628678  31.08827       59.08673 
1 1 1 12  1   27 o 128.9640 34.92396 9.684845       3.214090  1.121113       2.605150  96.33710       55.60017 
1 1 1 12  2   0  o 133.9307 38.07958 3.159768       3.265589  5.226211       3.362525  -23.79895      65.17021 
1 1 1 12  2   1  o 523.1713 15.71255 56.34664       4.994686  64.92487       5.198372  -37.25201      31.59387 
1 1 1 12  2   2  o 297.2928 19.91501 20.34543       3.668303  19.07544       3.634887  9.827423       40.45971 
1 1 1 12  2   3  o 613.4695 21.76022 87.81241       8.410026  80.37061       8.132344  27.23627       43.98264 
1 1 1 12  2   4  o 183.4618 41.25690 4.309196       4.499614  12.17599       4.666986  -78.33969      72.61869 
1 1 1 12  2   5  o 237.9620 22.84948 12.30787       3.363887  13.19657       3.299977  -9.094315      47.21188 
1 1 1 12  2   6  o 261.5743 28.10192 15.20077       4.608229  15.94677       4.377446  -7.892426      58.66218 
1 1 1 12  2   7  o 209.4740 34.18126 6.024074       4.277077  14.51949       4.300064  -87.95355      66.79433 
1 1 1 12  2   8  o 516.5509 14.61396 56.83561       4.644683  61.23017       4.712054  -19.38287      29.38849 
1 1 1 12  2   9  o 136.0176 33.28965 3.518998       2.762471  5.239628       2.809360  -22.32130      59.32111 
1 1 1 12  2   10 o 239.2260 19.97421 14.71405       2.998344  10.99141       2.879428  36.02425       41.12988 
1 1 1 12  2   11 o 339.6407 15.72451 26.41648       3.312235  24.59054       3.295718  12.33475       31.68402 
1 1 1 12  2   12 o 172.3892 30.27220 7.378723       3.855129  6.545548       2.689158  9.209442       61.24001 
1 1 1 12  2   13 o 425.4427 14.12676 40.83514       3.747860  38.94604       3.698701  10.11670       28.36118 
1 1 1 12  2   14 o 85.98432 33.26601 0.3582352      2.514127  1.820992       2.534063  -15.06528      54.93847 
1 1 1 12  2   15 o 608.6118 13.82208 81.72636       5.263889  81.37052       5.173895  1.246582       27.75094 
1 1 1 12  2   16 o 190.6132 21.91615 8.882751       2.549201  7.444585       2.539418  17.76920       45.33208 
1 1 1 12  2   17 o 383.8493 13.48890 31.78588       3.243336  33.18796       3.171561  -8.476959      27.12883 
1 1 1 12  2   18 f 932.1443 16.24075 189.4876       9.369970  194.0358       9.411894  -11.39691      32.60234 
1 1 1 12  2   19 o 477.4136 13.69347 51.62753       4.150433  49.08820       3.958620  11.89572       27.50890 
1 1 1 12  2   20 o 167.1451 23.82995 7.544653       2.616955  5.526248       2.230794  26.15051       48.65364 
1 1 1 12  2   21 f 249.1122 24.05527 0.000000       0.000000  14.12133       2.595833  ?              ?        
1 1 1 12  2   22 o 278.2166 15.83231 16.85304       2.809401  17.69948       2.640667  -7.743866      32.26863 
1 1 1 12  2   23 o 274.0542 16.76819 19.74072       3.300290  15.29754       2.526307  32.87482       34.59197 
1 1 1 12  2   24 o 233.5154 20.44459 14.98409       3.605782  11.30927       2.533536  28.01508       43.69641 
1 1 1 12  2   25 o 78.21240 31.81659 0.4818027      2.611669  1.214795       2.268115  -2.501656      52.12073 
1 1 1 12  2   26 o 115.7456 33.43143 3.321720       2.657170  3.669596       2.426970  -4.105087      57.20070 
1 1 1 12  2   27 o 92.55569 33.96641 4.238933       2.816325  0.6009765      2.354416  39.13154       55.41176 
1 1 1 12  2   28 o 117.7453 34.31422 2.947691       2.858123  4.488784       2.496525  -18.17836      57.90578 
1 1 1 12  3   0  o 297.3217 29.58859 0.000000       0.000000  19.90606       3.807634  ?              ?        
1 1 1 12  3   1  o 768.4920 16.36853 132.2533       7.808722  128.4658       7.797422  11.27271       32.89906 
1 1 1 12  3   2  o 419.6086 16.52928 35.50172       4.196219  42.80322       4.398997  -39.56619      33.32681 
1 1 1 12  3   3  o 434.9838 22.79622 44.57226       6.228341  40.20399       6.035452  22.69943       46.25190 
1 1 1 12  3   4  o 304.4666 26.42345 18.10762       4.768485  24.28307       5.134043  -46.22961      54.68521 
1 1 1 12  3   5  o 256.8231 21.91526 13.47334       3.432664  16.19513       3.484015  -24.70816      45.14167 
1 1 1 12  3   6  o 306.1541 26.02042 25.25461       5.119925  17.78040       4.697086  55.60034       53.92676 
1 1 1 12  3   7  o 352.3372 23.28741 28.43575       5.112927  27.32695       5.011018  6.985657       47.46731 
1 1 1 12  3   8  o 302.8698 18.05493 19.80737       3.440766  20.98788       3.316084  -9.375580      36.66894 
1 1 1 12  3   9  o 376.0121 15.52159 28.48067       3.572006  34.27946       3.654604  -35.29089      31.35556 
1 1 1 12  3   10 o 467.4718 14.25445 47.84904       4.137969  48.67876       4.119513  -4.098541      28.64800 
1 1 1 12  3   11 o 253.3564 18.47552 15.38738       2.918620  13.20905       2.849999  19.80276       37.59595 
1 1 1 12  3   12 o 106.8145 34.14179 4.303362       2.627138  0.9177586      2.487849  41.91968       56.01004 
1 1 1 12  3   13 o 838.9185 15.39008 161.4931       8.206682  149.1301       7.824900  33.30573       30.88458 
1 1 1 12  3   14 o 796.5308 15.09223 136.5610       7.316337  143.1046       7.606393  -18.50824      30.28738 
1 1 1 12  3   15 o 694.6637 14.12396 106.4955       6.094982  105.9798       6.077485  1.680725       28.34360 
1 1 1 12  3   16 o 1059.365 17.74718 238.6380       11.39110  258.0419       11.95424  -41.14807      35.62229 
1 1 1 12  3   17 o 570.8337 13.21713 67.64497       4.597283  76.24149       4.767739  -34.23419      26.55244 
1 1 1 12  3   18 o 308.8701 15.50162 22.91367       3.084046  19.54422       2.850870  24.63803       31.24284 
1 1 1 12  3   19 o 472.3231 19.59940 49.51147       4.051712  0.000000       0.000000  ?              ?        
1 1 1 12  3   20 o 184.7484 21.40114 7.156128       2.531204  8.155260       2.300023  -13.82219      44.80190 
1 1 1 12  3   21 o 450.6803 12.59125 46.53240       3.668352  43.52621       3.382317  14.67572       25.34127 
1 1 1 12  3   22 o 402.5165 12.93305 36.80486       3.266738  35.10153       3.184924  9.489685       26.04868 
1 1 1 12  3   23 o 85.83593 30.89253 -0.6334717     2.114381  3.668532       2.084036  -49.68015      48.56416 
1 1 1 12  3   24 o 119.9799 29.84428 5.374821       2.558579  2.456288       1.976472  41.23328       53.22663 
1 1 1 12  3   25 o 106.5724 30.09784 3.183271       2.181376  2.557057       1.985875  9.266052       51.96364 
1 1 1 12  3   26 o 232.1077 17.42230 13.99602       2.520562  10.85130       2.460867  31.58203       36.40935 
1 1 1 12  3   27 o 113.4869 31.41628 3.760165       2.461935  3.092664       2.144666  8.551338       54.63575 
1 1 1 12  3   28 o 76.00159 30.92464 3.062463       2.627708  -0.2585440     2.053985  36.01376       51.37668 
1 1 1 12  4   0  o 368.2166 18.37107 30.93523       4.189274  29.05071       4.176606  11.76202       37.04595 
1 1 1 12  4   1  o 329.0715 18.79149 23.01389       3.750321  25.07630       3.893623  -14.18613      37.96812 
1 1 1 12  4   2  o 108.8739 37.64591 4.530044       3.115767  0.4840289      3.070859  41.74693       61.17072 
1 1 1 12  4   3  f 378.9431 23.93050 36.63610       5.724684  28.08426       5.476602  51.70981       48.94379 
1 1 1 12  4   4  o 506.5629 21.98390 55.20224       6.778975  59.53657       7.010005  -19.13171      44.49208 
1 1 1 12  4   5  o 525.4557 21.60824 62.40538       7.020655  60.87456       7.035769  6.768188       43.72053 
1 1 1 12  4   6  o 470.3680 21.49169 48.09686       6.300370  50.70099       6.209135  -13.05957      43.55825 
1 1 1 12  4   7  o 401.4121 22.28646 36.63591       5.613436  35.53861       5.445662  5.822357       45.25734 
1 1 1 12  4   8  o 365.8398 16.95084 28.36602       3.815875  31.08931       3.857123  -17.05679      34.23893 
1 1 1 12  4   9  o 537.0482 14.50067 62.32532       4.802112  65.21806       4.850987  -12.26001      29.14757 
1 1 1 12  4   10 o 171.6888 27.75783 8.096627       2.899716  5.531212       2.813131  33.06818       55.32614 
1 1 1 12  4   11 o 501.4564 14.03764 60.22926       4.547931  51.43063       4.197701  39.60718       28.18842 
1 1 1 12  4   12 o 286.0442 16.99531 18.47123       3.043890  17.78991       2.961869  5.339935       34.33616 
1 1 1 12  4   13 o 622.3531 13.81618 89.18272       5.468201  81.68759       5.208946  27.27515       27.73125 
1 1 1 12  4   14 o 69.29211 30.32359 1.272421       2.474450  -2.020421      2.486223  26.51695       51.15726 
1 1 1 12  4   15 o 420.6549 13.68977 43.73078       3.719056  34.94218       3.433016  47.39468       27.49642 
1 1 1 12  4   16 o 381.8801 13.79890 31.65158       3.270821  32.65924       3.256073  -6.067932      27.72738 
1 1 1 12  4   17 o 326.1991 14.50376 24.66508       2.970097  22.41644       2.886628  15.69437       29.20033 
1 1 1 12  4   18 o 334.1782 14.71926 23.07336       3.085148  26.19166       3.004039  -21.60556      29.75752 
1 1 1 12  4   19 o 226.0590 18.24748 11.14475       2.623006  11.57705       2.459116  -4.926437      37.32848 
1 1 1 12  4   20 o 57.54775 26.78126 -3.397072      2.528237  0.2658239E-02  2.156347  -15.12073      46.26226 
1 1 1 12  4   21 o 128.8243 27.78673 3.245112       2.231192  4.466237       2.086422  -18.11995      51.45686 
1 1 1 12  4   22 o 183.1821 19.43464 7.948125       2.243882  7.289984       2.111609  7.757492       40.28273 
1 1 1 12  4   23 o 428.0132 12.19184 42.82558       3.286963  38.62347       3.182946  22.21274       24.56247 
1 1 1 12  4   24 o 273.3071 14.66149 15.17385       2.611504  18.07693       2.360624  -26.19186      30.43924 
1 1 1 12  4   25 o 119.5939 29.66604 2.155503       2.543247  4.401978       1.952347  -29.83006      52.00186 
1 1 1 12  4   26 o 149.1366 24.06569 3.237454       2.159636  7.464000       2.141692  -62.03937      47.52588 
1 1 1 12  4   27 o 123.2813 28.10985 2.732215       2.122415  4.927567       2.081792  -32.42593      50.79478 
1 1 1 12  4   28 o 79.53574 29.51711 2.379408       1.926896  0.4829181      1.950212  21.36784       47.73520 
1 1 1 12  5   0  o 675.0329 16.10122 102.5933       6.802552  98.22227       6.683381  14.70068       32.33835 
1 1 1 12  5   1  o 385.7379 17.57484 29.78451       4.099655  36.30571       4.295775  -38.53296      35.44735 
1 1 1 12  5   2  o 518.3715 15.89813 60.33197       5.115586  58.33467       5.096677  8.804993       31.94670 
1 1 1 12  5   3  o 118.2038 37.64090 1.630414       3.098778  4.682228       3.116147  -33.22084      62.30934 
1 1 1 12  5   4  o 222.5362 35.14035 11.49707       4.652832  11.54754       4.728247  -0.2427521     71.11514 
1 1 1 12  5   5  o 540.6750 21.96526 62.55724       7.196134  68.20304       7.517667  -23.23236      44.43224 
1 1 1 12  5   6  o 390.6661 16.61582 32.09012       3.932094  35.77560       4.108624  -21.30051      33.50829 
1 1 1 12  5   7  o 434.7567 21.62076 40.28091       5.756438  44.26169       5.870393  -20.85730      43.83247 
1 1 1 12  5   8  o 397.5295 22.04686 36.49509       5.508305  34.27705       5.326985  12.38821       44.74620 
1 1 1 12  5   9  o 283.2627 18.52954 19.78922       3.281634  16.06112       3.196100  30.29660       37.75222 
1 1 1 12  5   10 o 184.6075 26.20541 9.521918       2.915879  6.024953       2.917552  43.62526       53.67005 
1 1 1 12  5   11 o 332.1020 16.42259 23.33048       3.311593  25.59519       3.437363  -15.45236      33.11910 
1 1 1 12  5   12 o 859.5087 15.80986 169.1689       8.648168  157.2932       8.226366  31.08197       31.75042 
1 1 1 12  5   13 o 399.0339 14.58008 32.68130       3.574407  37.62120       3.632137  -28.31052      29.33862 
1 1 1 12  5   14 o 124.3352 33.25247 3.908327       2.607888  3.242694       2.621104  8.597725       58.06861 
1 1 1 12  5   15 o 184.2345 22.76306 11.10779       2.663265  4.697532       2.443313  79.74693       47.47746 
1 1 1 12  5   16 o 801.0883 14.76691 140.8749       7.357417  141.9307       7.319027  -3.057251      29.64041 
1 1 1 12  5   17 o 573.6589 13.01426 71.84435       4.641994  73.12576       4.620393  -5.138000      26.13573 
1 1 1 12  5   18 o 579.2352 12.88985 75.68784       4.704655  72.23981       4.561604  13.44031       25.88353 
1 1 1 12  5   19 o 457.2715 14.82834 47.28923       5.271292  45.64009       3.595375  5.674133       31.88695 
1 1 1 12  5   20 o 247.4176 16.68413 14.86400       2.681509  12.57241       2.428599  20.72420       33.83145 
1 1 1 12  5   21 o 488.2004 12.20448 59.21395       3.975283  47.56750       3.468385  53.40543       24.54988 
1 1 1 12  5   22 f 96.79416 29.70595 1.308635       2.060140  2.881263       1.862753  -19.97498      49.59931 
1 1 1 12  5   23 o 283.6685 13.21718 19.62428       2.401687  16.40627       2.244981  25.55157       26.72161 
1 1 1 12  5   24 o 332.2457 12.07465 23.50089       2.443393  25.75652       2.527612  -15.27780      24.38854 
1 1 1 12  5   25 o 225.2804 15.36618 14.04425       2.313065  9.552505       1.991798  44.09082       31.50659 
1 1 1 12  5   26 o 136.7249 21.99437 4.241693       1.824760  4.660150       1.780372  -7.303345      44.71040 
1 1 1 12  5   27 o 89.72117 27.38440 1.709763       1.642840  2.336131       1.684859  -9.530396      46.19209 
1 1 1 12  5   28 o 267.5085 16.29603 16.52396       1.903072  0.000000       0.000000  ?              ?        
1 1 1 12  5   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  6   0  o 419.3019 17.71634 40.31896       4.685027  37.42625       4.515017  15.62042       35.63913 
1 1 1 12  6   1  f 622.6996 16.31867 84.05426       6.245255  86.97108       6.352184  -10.60938      32.75277 
1 1 1 12  6   2  o 630.7169 16.00228 83.62700       6.157077  92.13622       6.359395  -30.63702      32.12799 
1 1 1 12  6   3  o 363.2343 17.99775 29.32573       4.040418  29.12809       4.044895  1.261475       36.30319 
1 1 1 12  6   4  o 304.4956 19.79570 20.56504       3.768981  20.70544       3.670649  -1.316864      40.16849 
1 1 1 12  6   5  o 249.3442 31.34710 15.54167       4.659603  12.85368       4.828215  26.25645       65.46471 
1 1 1 12  6   6  o 269.1934 29.65875 14.66469       4.824151  18.46988       4.918464  -33.21674      62.01137 
1 1 1 12  6   7  o 279.2475 27.29189 18.14844       4.759208  17.25426       4.580522  6.819366       56.52852 
1 1 1 12  6   8  o 152.1922 42.56160 3.679294       4.166150  7.446880       4.182489  -37.57916      72.54932 
1 1 1 12  6   9  o 336.6039 20.29019 25.08628       4.896680  25.37454       3.759234  -5.232758      42.86567 
1 1 1 12  6   10 f 180.4644 26.57230 8.295470       2.859815  6.546924       2.912313  22.41469       54.12765 
1 1 1 12  6   11 o 84.46848 33.92820 0.3146276      2.682626  1.335552       2.748675  -10.29507      56.24262 
1 1 1 12  6   12 o 87.51753 34.05348 0.9032264      2.668819  1.308206       2.644414  -3.601097      56.33942 
1 1 1 12  6   13 o 352.0814 15.45740 26.83084       3.349645  27.91273       3.386093  -7.005798      31.10008 
1 1 1 12  6   14 o 218.5308 29.68065 10.82562       2.771564  0.000000       0.000000  ?              ?        
1 1 1 12  6   15 o 307.0815 15.96529 20.35212       3.035945  21.31863       3.025621  -7.261108      32.18582 
1 1 1 12  6   16 o 417.8852 13.51354 37.48243       3.505555  39.48965       3.491313  -11.02045      27.14518 
1 1 1 12  6   17 o 256.5209 16.74227 14.34193       2.692600  14.83488       2.608517  -4.641937      33.93998 
1 1 1 12  6   18 o 363.7825 13.36590 29.89071       3.052448  28.55705       2.971285  8.281647       26.86470 
1 1 1 12  6   19 o 568.5522 12.72043 71.97064       4.560050  70.46304       4.416019  5.893616       25.54605 
1 1 1 12  6   20 o 652.1039 13.19346 95.51778       5.420088  92.13036       5.257490  11.65253       26.50013 
1 1 1 12  6   21 o 256.9079 15.28376 13.01966       2.489866  16.15045       2.364384  -28.68573      31.39626 
1 1 1 12  6   22 o 155.7443 22.23516 4.863590       2.205979  6.131274       1.985850  -19.89175      45.99537 
1 1 1 12  6   23 o 86.09077 29.15808 3.763471       1.915746  -0.2267169     1.796669  54.18657       45.85072 
1 1 1 12  6   24 o 110.4644 30.32944 2.016948       2.654405  3.495909       1.843482  -16.02129      52.58574 
1 1 1 12  6   25 o 239.0861 14.78130 14.58022       1.998490  10.37141       2.426178  44.86729       32.74617 
1 1 1 12  6   26 o 252.6870 13.30132 13.03630       2.281541  15.32471       1.920096  -23.72250      28.12107 
1 1 1 12  6   27 o 197.3640 14.76289 10.80090       1.864805  7.245672       1.731250  41.17554       30.84396 
1 1 1 12  6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  6   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  7   0  o 1038.756 27.07242 0.000000       0.000000  239.6174       12.32457  ?              ?        
1 1 1 12  7   1  o 297.6397 21.06261 16.75193       3.787797  22.81778       3.944388  -46.98096      43.08437 
1 1 1 12  7   2  o 615.6939 16.06712 87.22475       6.240001  80.15611       6.027964  26.04376       32.24734 
1 1 1 12  7   3  o 127.5986 38.36772 1.314478       3.226904  6.297334       3.340858  -54.96091      62.91457 
1 1 1 12  7   4  o 118.4851 38.61066 3.410283       3.270674  2.791930       3.243670  6.715912       64.59250 
1 1 1 12  7   5  o 578.3729 15.62942 70.49815       5.516073  77.49707       5.692771  -27.45410      31.40524 
1 1 1 12  7   6  o 247.0832 31.53259 16.07028       4.766979  11.95173       4.680305  38.92912       65.56605 
1 1 1 12  7   7  o 417.4443 22.75594 40.22652       5.983607  37.71842       5.763291  13.31677       46.14323 
1 1 1 12  7   8  o 417.3873 23.60513 43.96700       6.291765  34.58196       5.900623  50.94507       48.02159 
1 1 1 12  7   9  o 91.75061 39.85361 -2.664633      4.123358  2.424741       4.316504  -34.23727      66.99191 
1 1 1 12  7   10 o 441.5502 15.76604 44.28177       4.446795  42.05816       4.187721  11.11908       31.73312 
1 1 1 12  7   11 o 234.0897 21.83455 11.05451       3.069848  13.57214       3.202435  -24.83195      44.91693 
1 1 1 12  7   12 o 292.3104 18.10393 18.70357       3.249078  19.18819       3.284421  -3.761505      36.61357 
1 1 1 12  7   13 o 571.4407 14.52498 65.72000       5.082290  78.50963       5.209239  -51.07501      29.20667 
1 1 1 12  7   14 o 606.4745 20.21206 81.36408       5.369294  0.000000       0.000000  ?              ?        
1 1 1 12  7   15 o 471.5133 14.00345 48.31048       4.078471  49.67469       4.104296  -6.595337      28.10609 
1 1 1 12  7   16 o 139.8817 30.55019 2.991824       2.531698  6.209599       2.623714  -43.89655      55.23756 
1 1 1 12  7   17 o 129.9161 32.07444 2.990944       2.585136  4.881405       2.553442  -25.15898      56.76980 
1 1 1 12  7   18 f 573.7840 18.58060 0.000000       0.000000  72.98730       4.670209  ?              ?        
1 1 1 12  7   19 o 626.4192 13.44875 86.41205       5.234481  86.53776       5.217412  -0.4810181     27.00715 
1 1 1 12  7   20 o 577.8466 13.20017 71.98970       4.697506  75.32604       4.766456  -13.11731      26.52348 
1 1 1 12  7   21 o 241.0587 15.83384 13.79918       2.546130  12.28256       2.200641  13.46242       32.24321 
1 1 1 12  7   22 o 247.7276 14.47356 12.59397       2.262508  14.63564       2.169371  -19.43900      29.54732 
1 1 1 12  7   23 o 471.2967 11.47939 47.67267       3.370770  50.64413       3.341540  -14.55447      23.13509 
1 1 1 12  7   24 o 262.4290 12.75286 15.52802       2.098984  15.22911       2.041848  2.369080       25.83020 
1 1 1 12  7   25 o 263.5619 12.93531 15.30423       2.063342  15.82178       2.156483  -4.052124      26.24793 
1 1 1 12  7   26 o 199.3663 20.10635 0.000000       0.000000  9.273782       1.734277  ?              ?        
1 1 1 12  7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  7   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  7   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  8   0  o 681.9822 16.68512 99.50441       7.000442  105.5951       7.118234  -20.32007      33.52610 
1 1 1 12  8   1  o 815.4127 17.13574 154.9212       8.935598  139.0500       8.422276  43.98090       34.40778 
1 1 1 12  8   2  o 137.3972 38.22056 4.062812       3.353148  4.672559       3.399035  -7.144501      66.12909 
1 1 1 12  8   3  o 551.0917 16.06027 67.80801       5.513905  66.13262       5.455376  6.898193       32.24229 
1 1 1 12  8   4  o 328.4124 19.03736 23.20883       3.865592  24.58595       3.857791  -9.695557      38.48144 
1 1 1 12  8   5  o 132.7657 37.33107 3.038133       3.204922  5.151051       3.199402  -24.21249      63.94263 
1 1 1 12  8   6  o 235.8465 23.70847 11.50883       3.436173  13.44027       3.407124  -19.43959      49.05354 
1 1 1 12  8   7  o 308.7899 26.56844 21.36551       4.979315  21.51035       5.102378  -0.7018738     54.54671 
1 1 1 12  8   8  o 95.49183 40.90922 2.825542       4.464299  -2.359898      4.197396  36.48540       68.55335 
1 1 1 12  8   9  o 411.8360 23.34419 42.78672       6.292803  33.85940       5.639427  48.37473       47.32398 
1 1 1 12  8   10 o 144.7190 44.47012 6.260651       4.470716  3.553795       4.289493  26.35373       74.85108 
1 1 1 12  8   11 o 117.1150 36.86003 2.159894       3.028376  3.948970       2.948404  -19.35263      61.67874 
1 1 1 12  8   12 o 68.02999 30.83778 -2.182862      2.813104  -0.8013592E-02 2.806381  -14.64270      52.87676 
1 1 1 12  8   13 o 210.2684 33.45800 0.000000       0.000000  10.13227       2.982562  ?              ?        
1 1 1 12  8   14 o 116.8762 38.40485 1.433300       2.726427  6.507972       4.136757  -64.07415      65.61793 
1 1 1 12  8   15 o 269.5500 18.24183 15.51792       3.055599  16.69140       3.009337  -10.18481      37.00637 
1 1 1 12  8   16 o 384.7206 14.43951 36.13256       3.552405  29.59885       3.337406  38.57880       29.04636 
1 1 1 12  8   17 o 346.5060 14.77169 25.25467       3.174214  27.80734       3.161453  -16.95374      29.77617 
1 1 1 12  8   18 o 126.6569 31.94594 1.279161       2.515779  6.215291       2.502683  -64.12267      53.16303 
1 1 1 12  8   19 o 147.9258 28.41456 6.530521       2.533581  3.638003       2.492171  40.20750       53.67757 
1 1 1 12  8   20 o 340.0938 15.35498 22.92023       3.210644  28.37043       3.251834  -36.81741      31.09914 
1 1 1 12  8   21 o 430.8876 12.89869 42.13349       3.495257  40.01450       3.394533  11.07193       25.93159 
1 1 1 12  8   22 o 98.80920 31.37759 3.526608       2.228533  1.108045       2.098493  32.54918       51.90138 
1 1 1 12  8   23 o 473.5306 11.95946 52.86425       3.574851  46.78718       3.448878  29.06470       24.07998 
1 1 1 12  8   24 o 269.5985 14.78024 14.74861       2.430744  17.97442       2.495232  -27.45148      30.15613 
1 1 1 12  8   25 o 195.6166 17.70391 6.519960       2.192810  10.73388       2.063202  -53.20560      39.12284 
1 1 1 12  8   26 o 84.12112 31.72166 2.028236       3.365532  1.367134       1.812914  19.36749       54.83701 
1 1 1 12  8   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  8   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  8   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  9   0  o 303.9202 21.45486 20.64236       3.994452  20.43431       4.043694  1.697449       43.55774 
1 1 1 12  9   1  o 420.1212 17.72640 37.98082       4.535286  40.06995       4.687048  -11.21310      35.66919 
1 1 1 12  9   2  o 153.7375 36.80382 2.574366       3.394716  8.685407       3.535993  -69.92544      63.13090 
1 1 1 12  9   3  o 168.1256 33.59928 6.949642       3.389791  6.107043       3.373270  10.22234       63.74626 
1 1 1 12  9   4  o 89.16572 36.47800 2.872631       3.233172  -1.440985      3.178214  36.32889       60.16604 
1 1 1 12  9   5  o 77.59618 33.94995 -0.8656662E-02 3.164452  -0.8227968     3.053481  7.562004       57.41075 
1 1 1 12  9   6  o 123.6885 38.20084 5.106184       3.195724  1.749856       3.255408  35.91819       63.38406 
1 1 1 12  9   7  o 443.4879 16.54216 49.21902       4.736041  38.52952       4.371522  54.62390       33.30070 
1 1 1 12  9   8  o 197.9252 39.10339 10.88206       4.853981  7.731307       4.435575  32.24022       74.37923 
1 1 1 12  9   9  o 88.76709 39.63612 -4.457931      4.358556  2.514400       4.544195  -42.29975      67.56010 
1 1 1 12  9   10 o 424.5113 19.14111 41.44345       4.458057  37.24548       5.891518  25.51114       40.90639 
1 1 1 12  9   11 o 123.4260 43.43856 2.518139       4.235584  3.651714       4.028974  -8.048935      71.88086 
1 1 1 12  9   12 o 229.5872 26.71522 12.58287       4.570106  11.51697       3.234487  6.589401       57.75470 
1 1 1 12  9   13 o 337.0018 23.78327 0.000000       0.000000  25.29539       3.493065  ?              ?        
1 1 1 12  9   14 f 203.8193 24.19616 8.135690       2.998146  10.54627       3.001012  -27.86859      50.18212 
1 1 1 12  9   15 o 637.1931 14.53688 86.21069       5.660337  92.88584       5.835472  -23.76941      29.19426 
1 1 1 12  9   16 o 349.2351 15.95656 25.71979       3.377492  28.33032       3.522393  -16.92908      32.13931 
1 1 1 12  9   17 o 544.6084 14.22491 66.99312       4.888686  64.04761       4.718845  12.13354       28.56993 
1 1 1 12  9   18 o 75.24178 32.28094 -0.8965445     2.810826  0.7188643      2.601445  -9.585220      54.01919 
1 1 1 12  9   19 o 198.9368 24.45406 10.76108       3.044279  7.340506       2.871902  39.70676       50.65833 
1 1 1 12  9   20 o 264.0161 20.28045 11.74028       3.352431  19.18354       3.242311  -67.12752      43.55346 
1 1 1 12  9   21 o 412.1758 13.71448 37.30996       3.517847  37.90245       3.485676  -3.372040      27.60393 
1 1 1 12  9   22 o 171.9721 24.35007 5.845493       2.502756  7.835895       2.547943  -26.61096      50.06424 
1 1 1 12  9   23 o 251.7692 16.85208 12.59430       2.583438  16.00434       2.651410  -31.27597      34.59790 
1 1 1 12  9   24 o 287.0236 15.32361 20.66622       2.822388  16.68307       2.625172  31.08371       31.20987 
1 1 1 12  9   25 o 130.1073 27.33421 4.100987       2.198660  4.216581       2.078115  -2.258240      51.68946 
1 1 1 12  9   26 o 59.81240 26.04490 -0.2823051     1.901433  0.2497691      1.730883  -1.967857      43.31426 
1 1 1 12  9   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  9   30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  10  0  o 531.5443 17.94109 62.44432       5.915330  62.50928       5.899102  -0.3048096     36.08647 
1 1 1 12  10  1  o 430.4759 18.79512 42.14358       5.063513  39.91627       4.951997  11.72025       37.85931 
1 1 1 12  10  2  o 731.9957 24.66721 118.9351       7.908771  0.000000       0.000000  ?              ?        
1 1 1 12  10  3  o 228.9276 27.95197 15.80456       4.018415  8.298636       3.768049  75.81125       58.32541 
1 1 1 12  10  4  o 526.4532 17.19138 61.98671       5.638199  60.32640       5.575640  7.156311       34.53476 
1 1 1 12  10  5  o 274.1229 23.21791 18.96688       4.035269  14.77757       3.797490  35.08824       47.54307 
1 1 1 12  10  6  o 110.9936 39.80050 1.611944       3.474131  3.173333       3.486923  -14.76407      65.75667 
1 1 1 12  10  7  o 297.6992 21.53427 19.06114       3.938882  20.35335       3.960875  -10.03693      43.74879 
1 1 1 12  10  8  o 412.1721 18.33965 39.71822       4.801044  35.63395       4.562691  22.39993       36.93535 
1 1 1 12  10  9  o 423.9002 21.34178 45.08291       6.583380  36.90592       4.948143  41.01749       43.86122 
1 1 1 12  10  10 o 309.3991 41.15680 22.02545       5.447090  0.000000       0.000000  ?              ?        
1 1 1 12  10  11 o 238.2541 26.18038 11.35445       3.767231  14.22182       3.845217  -28.17906      54.24965 
1 1 1 12  10  12 o 359.8313 26.82812 31.37676       6.362623  27.04664       5.600494  26.11212       54.74467 
1 1 1 12  10  13 o 214.9225 53.04774 0.000000       0.000000  11.08435       4.970171  ?              ?        
1 1 1 12  10  14 o 791.5486 16.25445 133.6247       7.861334  142.9811       8.106645  -26.76013      32.64680 
1 1 1 12  10  15 o 200.9404 26.98749 10.35000       3.321961  8.019838       3.237568  26.76610       55.45896 
1 1 1 12  10  16 o 218.2276 24.96823 12.91311       3.414690  8.806394       3.231303  43.67908       51.95814 
1 1 1 12  10  17 o 445.4895 15.25885 45.12368       4.261415  42.69338       4.161374  12.34192       30.69113 
1 1 1 12  10  18 o 218.2924 28.86171 14.57969       5.295351  9.586420       3.132159  42.41789       62.79765 
1 1 1 12  10  19 o 616.5704 14.67030 80.34041       5.484463  87.81184       5.746655  -27.34100      29.49350 
1 1 1 12  10  20 x ?        ?        -8.246877      2.955144  -12.63367      3.088766  ?              ?        
1 1 1 12  10  21 o 304.5877 17.59097 21.57587       3.342506  19.86822       3.277519  12.77264       35.68504 
1 1 1 12  10  22 o 253.9212 19.44255 13.02700       3.016083  16.10089       3.062762  -28.18810      40.08941 
1 1 1 12  10  23 o 432.4615 14.77895 43.79282       4.080066  39.95471       3.847827  19.51517       29.88123 
1 1 1 12  10  24 o 114.9389 34.64651 4.653749       2.805976  2.231298       2.559336  29.41209       58.31041 
1 1 1 12  10  25 o 116.1461 33.03698 3.462853       2.531094  3.475116       2.456830  -0.6478882E-01 56.82352 
1 1 1 12  10  26 o 94.78088 30.15755 2.391464       2.004790  2.135671       1.985375  3.456535       50.41991 
1 1 1 12  10  27 o 59.40480 24.81351 0.5236876      1.620459  0.2458269      1.445946  5.783401       40.96124 
1 1 1 12  10  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  10  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  11  0  o 318.2837 24.01889 21.37049       4.663908  23.91579       4.751814  -18.41693      48.98365 
1 1 1 12  11  1  o 275.6878 25.01729 11.72719       4.104713  23.05996       4.371459  -96.12781      53.79764 
1 1 1 12  11  2  o 410.3775 19.49032 32.58584       4.764210  42.84137       5.153456  -56.69922      39.38530 
1 1 1 12  11  3  o 162.6640 38.50814 11.11895       3.913656  1.698105       3.742115  99.91089       63.62628 
1 1 1 12  11  4  o 588.4991 17.20589 73.19656       6.202282  79.80727       6.349112  -25.55609      34.56460 
1 1 1 12  11  5  o 357.0638 20.06604 27.58412       4.450815  28.89052       4.402828  -8.523132      40.54697 
1 1 1 12  11  6  f 469.0724 17.62533 51.09171       5.250794  46.31239       4.997428  23.03641       35.43822 
1 1 1 12  11  7  o 290.8283 22.10692 19.65150       3.994987  18.00574       3.922722  13.00735       44.97070 
1 1 1 12  11  8  o 84.38667 36.76447 0.2868840      3.862366  -0.9171736     3.402703  14.60022       62.34431 
1 1 1 12  11  9  o 322.5443 21.85644 21.30471       4.319036  24.97836       4.375981  -26.30411      44.44228 
1 1 1 12  11  10 o 99.76546 39.48045 1.655094       3.526185  0.8895090      3.727355  3.753975       65.35439 
1 1 1 12  11  11 o 430.6045 24.89971 40.15394       6.464456  42.51532       6.793094  -12.02457      50.43801 
1 1 1 12  11  12 o 246.6919 35.95831 10.71079       5.155557  17.69658       5.547685  -63.58429      72.97016 
1 1 1 12  11  13 o 359.2278 29.53336 24.76050       6.738808  32.72079       6.326756  -53.60895      62.20369 
1 1 1 12  11  14 o 498.2908 23.82736 54.82120       7.321490  55.72215       7.366110  -4.081543      48.17266 
1 1 1 12  11  15 o 260.0806 23.01023 11.76180       3.601165  18.81682       3.751565  -63.36470      48.38448 
1 1 1 12  11  16 o 120.4165 37.03171 1.425113       3.061849  5.157057       3.008187  -41.12932      61.05222 
1 1 1 12  11  17 o 167.5590 32.08654 9.263876       3.281495  4.047353       3.149898  63.31303       59.84383 
1 1 1 12  11  18 o 307.9648 21.62485 20.30070       4.137104  22.05103       4.073410  -13.42349      44.09619 
1 1 1 12  11  19 o 319.3519 20.66517 26.68797       4.205777  19.28623       3.949867  53.00415       42.24605 
1 1 1 12  11  20 f 162.5666 34.57736 7.865568       3.395387  4.708383       3.363962  37.65852       63.85856 
1 1 1 12  11  21 o 273.3068 20.31357 13.93828       3.369755  19.84965       3.471083  -50.28513      42.19934 
1 1 1 12  11  22 o 232.4720 23.08682 13.91563       3.402799  11.01541       3.179263  28.22261       48.17253 
1 1 1 12  11  23 o 327.1290 17.47169 24.06700       3.555487  24.18105       3.510113  -1.052185      35.60343 
1 1 1 12  11  24 o 109.7235 35.46768 2.917550       2.769045  3.128406       2.734385  -2.173149      59.09214 
1 1 1 12  11  25 o 84.04687 33.21578 0.3792925      2.737107  2.041495       2.415049  -11.72130      53.90881 
1 1 1 12  11  26 o 94.98022 32.34003 5.288524       2.413184  -0.1548889     2.167072  64.12974       50.58512 
1 1 1 12  11  27 o 87.07161 29.37019 1.606212       1.905555  2.232660       1.856129  -7.705841      48.35625 
1 1 1 12  11  28 o 66.56782 24.80358 0.1914805      1.738478  1.300145       1.168365  -6.671974      40.55479 
1 1 1 12  11  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  11  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  12  0  o 309.1201 24.61982 24.72952       4.737646  18.12560       4.628192  49.71002       50.86527 
1 1 1 12  12  1  o 519.5638 18.84964 61.89122       6.134649  57.67746       5.997861  18.40698       37.94117 
1 1 1 12  12  2  o 244.7507 27.85823 16.28498       4.158549  10.79986       4.150171  53.05016       58.59836 
1 1 1 12  12  3  o 144.9121 40.11366 6.421937       3.772038  3.486983       3.686619  31.76184       68.82044 
1 1 1 12  12  4  o 293.1617 23.49546 19.44078       4.247913  18.92949       4.226182  4.016418       47.93169 
1 1 1 12  12  5  o 100.3178 39.56249 0.7802591      3.625263  1.925614       3.627303  -9.355003      65.43919 
1 1 1 12  12  6  o 319.9870 21.49574 23.69037       4.273857  21.84153       4.210913  13.26398       43.59758 
1 1 1 12  12  7  o 350.5294 19.76272 27.83409       4.276868  26.62081       4.282766  7.998230       39.92844 
1 1 1 12  12  8  o 358.7391 19.55339 29.85587       4.381679  27.21895       4.289453  16.79001       39.48796 
1 1 1 12  12  9  o 109.0789 39.91899 3.455882       3.596598  1.066908       3.456726  23.27487       65.79732 
1 1 1 12  12  10 o 108.7381 39.14279 1.483986       3.347825  3.104432       3.392830  -15.83892      64.64164 
1 1 1 12  12  11 o 256.2748 23.86900 12.56836       3.705716  16.91969       3.797751  -39.67616      49.47872 
1 1 1 12  12  12 o 464.4233 20.15581 51.33549       7.067456  46.01212       5.026545  22.58200       42.40623 
1 1 1 12  12  13 o 99.56593 41.95036 0.2100880      4.430518  0.6576569      4.408635  -2.655174      69.95509 
1 1 1 12  12  14 o 102.7176 40.89415 3.911634       3.533928  -2.627298      4.436032  37.10789       65.87592 
1 1 1 12  12  15 o 279.1940 40.34125 17.10232       6.827027  19.25396       6.742467  -18.26135      83.18855 
1 1 1 12  12  16 o 266.1725 47.63514 18.18193       7.698108  15.94884       7.460196  17.27443       94.23677 
1 1 1 12  12  17 o 292.7899 25.49220 20.46967       4.536160  18.12125       4.633128  19.27698       52.66572 
1 1 1 12  12  18 o 175.9498 39.53714 8.559999       4.132563  6.080994       4.291594  26.27576       72.34729 
1 1 1 12  12  19 o 684.1694 26.42605 105.2601       7.915527  0.000000       0.000000  ?              ?        
1 1 1 12  12  20 o 215.7729 29.99397 10.12666       3.987451  11.39427       3.829820  -14.55206      62.12302 
1 1 1 12  12  21 o 130.2104 40.13713 4.877882       3.602140  3.358924       3.524031  15.88453       67.58252 
1 1 1 12  12  22 o 121.7117 38.61952 3.522497       3.367884  3.698738       3.186735  -0.9363632     64.73196 
1 1 1 12  12  23 o 240.4099 22.60151 14.72374       3.422296  12.11296       3.246741  24.53215       47.36845 
1 1 1 12  12  24 o 202.0531 26.65796 7.927276       3.363205  11.51709       3.165404  -44.54596      57.01060 
1 1 1 12  12  25 f 156.6972 30.61493 6.564644       2.891404  5.864173       2.847293  8.794495       59.55127 
1 1 1 12  12  26 o 200.2043 23.26653 9.758060       3.094758  9.597908       2.632463  -4.839798      50.72259 
1 1 1 12  12  27 o 107.7348 32.04317 2.687212       2.295337  3.683493       2.302663  -12.38742      54.12206 
1 1 1 12  12  28 o 137.0550 24.65696 4.074142       2.277879  5.203972       1.832465  -22.60671      49.37185 
1 1 1 12  12  29 o 104.3646 19.00223 2.256033       1.068968  3.342021       1.349115  -18.67620      37.78189 
1 1 1 12  12  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  13  0  o 287.2897 28.83620 19.48738       5.052079  17.80277       5.087173  14.02179       59.73673 
1 1 1 12  13  1  o 385.9689 22.30439 29.77141       5.243078  36.68890       5.395123  -41.13306      45.30825 
1 1 1 12  13  2  o 397.4214 21.76643 32.99265       5.301990  37.27304       5.390230  -24.70261      44.06749 
1 1 1 12  13  3  o 490.0416 18.77600 56.34302       5.834933  50.30438       5.568454  27.83884       37.81530 
1 1 1 12  13  4  o 177.9458 36.71218 3.688799       3.747160  11.90498       4.114311  -89.10773      65.44595 
1 1 1 12  13  5  f 139.7876 40.75207 2.291880       3.712653  6.900150       3.788159  -48.05129      68.03286 
1 1 1 12  13  6  o 321.0349 21.78331 23.23160       4.371753  22.67210       4.255276  3.773712       44.21876 
1 1 1 12  13  7  o 346.2100 20.76648 25.06785       4.359760  28.30305       4.523433  -21.26080      42.04247 
1 1 1 12  13  8  o 427.9655 19.02028 37.93439       4.951217  43.37196       5.126998  -28.91827      38.35402 
1 1 1 12  13  9  o 98.46857 40.09232 0.4872917      4.000000  1.364783       3.714933  -3.083023      66.51993 
1 1 1 12  13  10 o 281.9130 25.81521 21.17179       4.473475  14.51100       4.455403  55.77910       54.23626 
1 1 1 12  13  11 o 187.4275 37.02952 10.35803       4.210922  6.161313       4.096432  45.43967       69.73466 
1 1 1 12  13  12 o 523.5330 18.58727 61.18517       6.070360  60.21301       5.984150  4.119019       37.41994 
1 1 1 12  13  13 o 462.0350 19.84697 44.36230       5.651937  50.46339       5.698497  -30.32346      40.11144 
1 1 1 12  13  14 o 116.4198 45.28579 3.818861       4.710667  0.5344060      4.683286  23.93056       74.39042 
1 1 1 12  13  15 o 102.0162 42.65216 -0.8983064     4.503689  2.355604       4.525168  -21.38120      70.73184 
1 1 1 12  13  16 o 130.9593 49.20683 3.958649       4.249181  0.2968184      8.879901  -13.98100      85.45742 
1 1 1 12  13  17 o 130.4320 58.78744 -7.972098      9.392595  5.928694       10.84430  -59.45726      100.4671 
1 1 1 12  13  18 o 267.2402 37.31459 17.93681       8.953834  16.25276       4.835856  -2.624451      86.57556 
1 1 1 12  13  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  13  20 o 267.3313 27.87831 15.10786       4.433423  17.90061       4.687677  -23.43880      58.30932 
1 1 1 12  13  21 f 334.4574 22.62951 21.76905       4.556295  29.41780       4.786880  -52.41986      46.80041 
1 1 1 12  13  22 o 198.8606 32.61419 10.55830       3.941219  8.643912       3.828923  20.76231       66.17964 
1 1 1 12  13  23 o 140.6428 37.33849 2.958968       3.404064  7.021185       3.226347  -44.84132      63.61417 
1 1 1 12  13  24 o 264.4830 21.69848 16.93624       3.466023  15.77785       3.594849  11.94206       45.78383 
1 1 1 12  13  25 o 111.3643 36.34462 1.817574       2.938871  4.666682       2.834844  -29.34499      59.35203 
1 1 1 12  13  26 o 355.3873 15.98516 27.76572       3.605093  30.12490       3.431291  -17.31436      33.03011 
1 1 1 12  13  27 o 83.47039 32.89097 1.211955       2.490424  2.032438       2.518869  -7.408928      52.91122 
1 1 1 12  13  28 o 141.9484 25.03539 4.557828       2.194556  5.683086       2.059682  -19.04551      50.39058 
1 1 1 12  13  29 o 66.04669 26.71665 0.6324627E-01  1.717049  1.594478       1.676781  -15.52451      43.07747 
1 1 1 12  13  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  14  0  f 90.91860 40.84648 -4.545407      4.798424  2.015346       4.808361  -34.70908      69.35036 
1 1 1 12  14  1  o 465.4340 22.56738 52.53157       6.670720  44.44207       6.334695  39.30817       45.68792 
1 1 1 12  14  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  14  3  o 114.2198 45.68547 -1.961711      4.878477  5.347852       4.924462  -50.41683      74.54181 
1 1 1 12  14  4  o 216.8158 41.39267 12.68352       5.380074  9.411191       5.348304  31.37643       79.54665 
1 1 1 12  14  5  o 226.3790 37.72004 8.543759       4.986470  15.64707       5.244583  -68.03693      74.18530 
1 1 1 12  14  6  o 332.3601 26.88234 25.77707       5.491779  23.87661       5.498361  13.43408       55.13213 
1 1 1 12  14  7  o 278.0749 30.94422 17.56791       5.238378  17.57942       5.256539  -0.2679443E-01 64.27420 
1 1 1 12  14  8  o 601.1362 28.26113 81.04490       7.430981  0.000000       0.000000  ?              ?        
1 1 1 12  14  9  o 130.2094 47.56573 1.406474       4.956693  5.352691       5.046136  -30.59073      78.01923 
1 1 1 12  14  10 o 250.4964 36.19378 16.72910       5.369340  12.09599       5.557963  43.36720       74.42702 
1 1 1 12  14  11 o 455.9219 23.49669 45.08480       6.488407  47.80598       6.766042  -13.11588      47.60014 
1 1 1 12  14  12 o 267.6964 33.54983 16.19638       5.250321  16.74177       5.672493  -3.003296      69.90839 
1 1 1 12  14  13 o 304.7094 29.89460 16.92085       5.290590  26.31878       5.917886  -70.10916      62.46264 
1 1 1 12  14  14 o 343.7787 27.52743 24.95296       5.579824  28.77804       6.097092  -24.16544      56.54640 
1 1 1 12  14  15 o 169.7689 49.20913 7.490911       4.884264  6.142873       6.371025  6.220825       84.75534 
1 1 1 12  14  16 o 183.9042 52.77440 2.554394       5.893192  16.14066       6.892762  -109.1689      85.81705 
1 1 1 12  14  17 o 638.6052 25.15445 91.65514       9.895193  91.10922       9.995953  2.263123       50.98399 
1 1 1 12  14  18 o 743.0516 47.38763 0.000000       0.000000  131.5551       15.36442  ?              ?        
1 1 1 12  14  19 o 321.6233 58.38807 20.39736       10.38193  35.46943       12.30067  -86.63989      115.7037 
1 1 1 12  14  20 o 180.9347 41.23526 5.191476       4.508365  11.09559       4.541303  -59.15454      73.73627 
1 1 1 12  14  21 o 359.3093 22.62222 31.21781       5.021578  27.65024       5.011651  23.26929       46.58707 
1 1 1 12  14  22 o 294.8061 24.56640 20.12593       4.536242  20.24068       4.371845  -2.303040      51.44236 
1 1 1 12  14  23 o 101.2800 39.97102 2.532170       3.876796  1.690106       3.552385  8.589638       65.01206 
1 1 1 12  14  24 o 114.4619 39.10771 4.128384       3.504637  3.043144       3.187707  10.80114       64.16611 
1 1 1 12  14  25 o 69.31197 31.73867 0.7464630      3.177848  -2.011593      2.978880  17.93350       53.30965 
1 1 1 12  14  26 o 239.8633 22.02488 13.00238       3.262295  14.72540       3.219286  -18.37967      47.61948 
1 1 1 12  14  27 o 228.6690 21.51249 15.27825       3.124227  10.60498       2.917676  46.62892       47.22800 
1 1 1 12  14  28 o 82.17742 31.69822 2.224810       2.572567  1.371388       2.078949  10.53417       51.35836 
1 1 1 12  14  29 o 62.04216 27.31374 2.881560       2.340085  -1.325915      1.831666  38.96170       46.24472 
1 1 1 12  14  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  15  0  o 456.4790 25.41076 46.28600       7.054548  47.83470       7.285012  -7.021271      51.84004 
1 1 1 12  15  1  o 339.6231 31.65007 27.27634       6.431162  25.39499       6.763652  14.77719       66.14429 
1 1 1 12  15  2  o 190.7647 50.73952 9.483261       5.929901  8.269253       6.303586  9.604187       88.90176 
1 1 1 12  15  3  o 102.2541 49.25357 0.000000       0.000000  -8.840249      6.549136  ?              ?        
1 1 1 12  15  4  o 603.2549 23.15271 84.13470       8.617468  77.73853       8.678713  24.55737       46.79378 
1 1 1 12  15  5  o 304.3967 34.81086 22.20322       6.300302  19.98067       6.621778  18.63443       72.83894 
1 1 1 12  15  6  o 332.1360 33.30368 27.84389       6.567709  21.93981       6.990252  44.06970       70.52727 
1 1 1 12  15  7  o 422.9199 27.08928 36.45407       6.769726  44.53944       7.412743  -42.53323      55.17839 
1 1 1 12  15  8  o 209.0020 44.41210 8.305677       5.315401  13.04574       5.889016  -43.71390      82.66159 
1 1 1 12  15  9  o 217.4168 43.59415 10.44956       5.495945  12.18431       5.871945  -15.61731      83.19296 
1 1 1 12  15  10 o 458.2214 24.71761 49.38802       7.047123  44.66965       6.953479  23.61588       50.21289 
1 1 1 12  15  11 o 410.4113 27.03434 41.39305       6.659170  33.99182       7.045680  43.54425       56.02079 
1 1 1 12  15  12 o 210.6498 45.61634 7.046247       5.470797  15.33563       6.167167  -74.18167      83.00394 
1 1 1 12  15  13 o 118.1002 51.73695 -0.3692463     5.117259  0.000000       0.000000  ?              ?        
1 1 1 12  15  14 o 191.3266 49.59890 5.081571       5.683628  13.57877       6.222545  -73.20702      85.13423 
1 1 1 12  15  15 o 179.3482 54.02048 12.22469       5.712058  -0.2119532     7.750660  77.03206       85.97179 
1 1 1 12  15  16 o 251.6205 39.51534 13.52124       5.721168  16.49831       6.242322  -24.68356      80.28788 
1 1 1 12  15  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  15  18 o 130.2718 51.98330 3.209893       5.899888  2.298984       6.872152  -1.565887      85.23769 
1 1 1 12  15  19 o 230.5291 47.35854 15.54997       6.280059  10.83289       6.848043  42.33997       89.58100 
1 1 1 12  15  20 o 97.52579 48.20683 -13.27612      10.31803  -12.73262      11.12076  -6.119659      83.97309 
1 1 1 12  15  21 o 287.7585 67.42532 25.06234       11.02464  25.76243       12.82673  10.42278       123.8381 
1 1 1 12  15  22 o 127.8858 45.51827 1.625281       4.542511  6.825500       4.545093  -39.70621      73.28775 
1 1 1 12  15  23 o 99.00137 40.26020 6.414470       4.134673  -1.646601      3.660958  59.84687       65.15398 
1 1 1 12  15  24 o 104.9727 44.38713 2.396302       3.709431  0.9633690      11.12826  -19.82507      76.72819 
1 1 1 12  15  25 o 96.27175 37.93171 0.8727480      3.342927  3.531179       3.318689  -20.04564      60.75423 
1 1 1 12  15  26 o 75.37926 33.93936 -2.214978      3.191188  2.903576       3.504108  -31.06915      56.14544 
1 1 1 12  15  27 o 76.20865 33.83292 -0.6602553     3.060417  2.113441       3.345858  -17.75551      54.79217 
1 1 1 12  15  28 o 122.3338 44.93816 5.823874       3.163025  0.000000       0.000000  ?              ?        
1 1 1 12  15  29 o 83.04404 33.11199 1.375672       3.221254  2.195213       2.196692  -2.648315      52.53667 
1 1 1 12  16  0  o 480.7649 26.99812 48.06852       7.710263  58.26904       8.368651  -46.29449      55.42937 
1 1 1 12  16  1  o 139.2598 53.11926 3.149263       6.147958  4.864016       6.624912  -13.38924      86.92748 
1 1 1 12  16  2  o 119.3955 50.14096 2.178957       6.018404  0.1206250      6.582027  6.173553       82.69943 
1 1 1 12  16  3  o 99.07870 45.35630 -1.868818      5.906400  -3.037640      6.712350  -3.260490      77.25805 
1 1 1 12  16  4  f 114.6765 49.13098 -2.966038      5.840149  4.874543       6.730994  -49.46675      82.60418 
1 1 1 12  16  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  16  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  16  7  o 276.6090 38.96928 14.33967       6.199920  21.87573       6.851868  -60.49843      79.99129 
1 1 1 12  16  8  o 110.2168 47.22787 -0.4027894     5.639011  0.8873568      5.902245  -9.645454      78.88300 
1 1 1 12  16  9  f 185.4912 50.05222 7.346592       5.784282  9.385107       6.004761  -17.92169      87.28320 
1 1 1 12  16  10 f 126.1238 50.04692 3.387559       6.075489  1.432947       5.622696  16.03201       82.60313 
1 1 1 12  16  11 o 139.2223 52.13676 4.586397       6.050041  2.869186       6.099438  10.98601       85.67020 
1 1 1 12  16  12 o 96.84296 44.02279 -1.921343      5.699705  -2.112641      5.855086  -0.8217010     74.91319 
1 1 1 12  16  13 o 143.5103 51.03241 7.251870       5.720499  1.606602       5.699840  40.83366       83.29035 
1 1 1 12  16  14 o 156.5217 51.55730 5.558424       5.878892  5.870750       5.725677  -1.626328      85.89697 
1 1 1 12  16  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  16  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  16  17 o 113.4114 47.05613 1.984214       5.165626  0.6714957      5.749854  2.554405       77.50481 
1 1 1 12  16  18 o 117.6243 47.64386 3.348165       5.174416  0.6077095      5.665972  12.69563       77.82435 
1 1 1 12  16  19 o 118.8889 47.67526 3.014324       5.076594  1.766556       5.676987  3.380310       77.75451 
1 1 1 12  16  20 f 133.0806 51.12855 1.361779       5.554360  7.740328       6.400522  -42.74791      83.17787 
1 1 1 12  16  21 o 299.3128 37.69472 22.52629       6.678350  22.42675       7.022403  5.220428       82.44090 
1 1 1 12  16  22 o 156.4259 65.07726 8.165910       10.39018  8.197675       10.47688  -0.1376801     100.1909 
1 1 1 12  16  23 o 146.9849 63.95586 7.572752       10.55613  9.834516       11.27557  -5.684296      95.95904 
1 1 1 12  16  24 o 136.6072 46.29905 3.294307       4.548822  8.559686       4.807738  -38.92272      74.52235 
1 1 1 12  16  25 o 76.13737 35.52917 3.837526       4.173985  -5.538789      4.083865  41.36461       59.81403 
1 1 1 12  16  26 o 154.8573 37.57447 6.759626       3.680694  7.540495       3.472891  -10.64545      67.88393 
1 1 1 12  16  27 o 101.0987 40.10110 2.117259       3.377541  5.095965       4.267713  -19.26982      63.50732 
1 1 1 12  16  28 f 168.5509 32.25563 8.388218       3.618673  8.304131       2.974573  -12.85791      64.66329 
1 1 1 12  16  29 o 68.91928 31.22691 1.924237       3.569299  -0.2808209     2.476108  17.46468       51.20649 
1 1 1 12  17  0  f 104.2581 47.31236 -1.636516      6.415768  -0.6498547     6.880855  -7.580208      78.89555 
1 1 1 12  17  1  o 260.6001 45.65240 14.84280       6.934144  19.35040       7.302447  -35.19678      91.57829 
1 1 1 12  17  2  o 395.2654 31.57681 33.53158       7.586994  39.02437       7.772412  -32.01434      66.02689 
1 1 1 12  17  3  o 279.5367 40.44780 16.51857       6.531346  21.30059       7.127944  -36.09779      84.10282 
1 1 1 12  17  4  o 86.59469 41.06681 -1.372184      5.876806  -7.462899      5.972639  21.32942       71.45042 
1 1 1 12  17  5  o 223.7842 46.73338 11.18685       6.109415  13.42531       6.460831  -18.91318      88.36372 
1 1 1 12  17  6  o 149.2134 52.50124 2.971492       5.740094  7.472821       6.369914  -35.30278      86.54583 
1 1 1 12  17  7  o 109.4260 47.52959 -1.811972      5.671633  2.108663       6.385386  -26.89528      79.88839 
1 1 1 12  17  8  o 99.54467 47.78836 -7.605928      6.047136  0.000000       0.000000  ?              ?        
1 1 1 12  17  9  o 424.4749 39.36222 41.72323       7.245317  0.000000       0.000000  ?              ?        
1 1 1 12  17  10 o 345.4034 50.43042 0.000000       0.000000  28.67837       7.415215  ?              ?        
1 1 1 12  17  11 o 145.5307 61.19138 0.000000       0.000000  2.081271       6.627675  ?              ?        
1 1 1 12  17  12 o 400.2343 44.58914 0.000000       0.000000  37.82199       7.695118  ?              ?        
1 1 1 12  17  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  17  14 o 113.0641 51.55685 -11.84453      11.66821  0.5632687      6.467875  2.425674       88.16248 
1 1 1 12  17  15 o 158.2079 60.33422 5.406622       5.813000  0.000000       0.000000  ?              ?        
1 1 1 12  17  16 f 221.5526 45.02198 13.45796       5.856076  10.74348       6.104251  25.34113       85.82417 
1 1 1 12  17  17 o 116.8716 47.83750 1.066038       5.292222  3.013013       5.771001  -15.10242      78.52730 
1 1 1 12  17  18 o 140.0680 50.15805 7.278437       5.340502  1.845192       5.731650  35.95503       80.97572 
1 1 1 12  17  19 o 269.9447 35.70201 20.13775       5.766009  15.28021       5.900208  44.46332       76.38607 
1 1 1 12  17  20 o 124.0958 48.22279 6.690741       5.259014  0.2827682      5.386691  39.43144       77.16863 
1 1 1 12  17  21 o 262.0878 35.71379 15.99929       5.692690  18.66325       5.618811  -25.48976      77.20273 
1 1 1 12  17  22 o 105.7957 46.32446 4.240974       5.937514  -0.6642216     5.663673  22.72549       74.38260 
1 1 1 12  17  23 o 115.6498 48.57043 -2.944135      5.636158  11.37315       6.191906  -70.87675      77.34489 
1 1 1 12  17  24 o 142.0125 53.30291 5.926726       4.952922  14.20549       10.70431  -19.61313      87.29757 
1 1 1 12  17  25 o 101.5629 48.39764 -2.624388      8.218516  4.894251       8.654556  -16.29789      75.12713 
1 1 1 12  17  26 o 85.07457 38.52606 2.138984       4.302456  -0.9255667E-01 4.445887  8.665619       60.72148 
1 1 1 12  17  27 o 76.35415 34.60168 -0.5505584     3.467663  1.685299       3.605505  -11.50952      55.36861 
1 1 1 12  17  28 o 120.1478 39.08913 3.743361       3.606805  6.293314       3.123203  -24.45157      61.89277 
1 1 1 12  17  29 o 121.0474 39.59149 11.47159       4.161326  2.613461       2.975719  58.91139       64.66128 
1 1 1 12  18  0  o 151.9968 68.61385 -3.599221      13.18269  11.28584       14.37318  -39.04758      109.6319 
1 1 1 12  18  1  o 146.5264 66.86509 -0.9890702     13.19780  4.454277       13.79871  -14.55267      106.7593 
1 1 1 12  18  2  o 290.7346 39.08847 15.96972       6.834160  25.39123       6.908661  -76.27583      83.06036 
1 1 1 12  18  3  o 326.2291 34.60754 30.38332       6.988002  20.28006       6.808897  73.83881       74.86243 
1 1 1 12  18  4  o 265.4790 40.74240 14.00468       6.347167  20.54392       6.654932  -54.24323      83.75219 
1 1 1 12  18  5  o 162.4432 52.89081 8.238381       6.014187  4.899230       6.215911  23.86943       87.55164 
1 1 1 12  18  6  o 152.4096 52.85843 3.191190       6.088696  7.881034       6.111185  -32.93950      86.50764 
1 1 1 12  18  7  o 130.1995 51.79461 0.3224228E-01  6.189260  5.800328       6.345260  -34.93150      84.54232 
1 1 1 12  18  8  o 266.1983 40.91624 12.64636       6.268174  22.05363       6.851704  -76.85841      83.00872 
1 1 1 12  18  9  o 95.75053 44.19145 -0.4265259     5.903735  -5.246346      6.369157  14.82919       75.20026 
1 1 1 12  18  10 o 233.1841 45.49697 17.21652       6.265498  9.159445       6.427019  70.23415       85.87538 
1 1 1 12  18  11 o 271.6655 39.81726 13.51498       6.338244  22.06262       6.698435  -70.42941      81.86982 
1 1 1 12  18  12 o 233.8143 46.36970 13.78008       6.304378  13.11786       6.688344  7.139557       89.40493 
1 1 1 12  18  13 o 162.2477 53.61229 8.028111       6.130195  4.872197       6.421392  21.60692       88.57344 
1 1 1 12  18  14 o 342.0004 48.70805 0.000000       0.000000  29.05524       7.100537  ?              ?        
1 1 1 12  18  15 o 122.6993 52.99742 2.321672       5.649772  -6.496961      13.52023  -19.11929      92.16773 
1 1 1 12  18  16 o 252.6214 40.05502 16.22159       5.912334  14.96345       6.235976  13.69324       82.57268 
1 1 1 12  18  17 o 101.2985 44.75502 0.7478433      5.402620  -0.9835788     5.651230  6.206772       74.05462 
1 1 1 12  18  18 o 204.5138 47.72511 14.25708       5.838642  7.873668       6.054335  55.45322       85.58440 
1 1 1 12  18  19 f 218.1227 43.53390 13.73459       5.597151  11.29361       5.774838  23.80782       84.33466 
1 1 1 12  18  20 o 140.4287 50.34907 7.565939       5.547437  3.558595       5.592286  26.37971       80.90687 
1 1 1 12  18  21 o 82.60648 39.33515 -2.077610      5.767073  -3.347571      5.348824  7.299095       65.88682 
1 1 1 12  18  22 o 166.0867 50.46534 9.775906       5.483972  8.244703       5.849087  12.95627       83.39954 
1 1 1 12  18  23 o 88.42675 40.59900 1.928494       4.989532  -2.338461      5.163629  15.66113       65.80851 
1 1 1 12  18  24 o 97.22413 43.68138 -0.7709079E-01 5.392979  3.543773       5.600893  -14.49594      68.84000 
1 1 1 12  18  25 o 72.61301 35.44187 -3.453773      5.287753  -2.723511      5.168298  -1.147041      58.19150 
1 1 1 12  18  26 o 90.61020 42.04762 2.057347       4.584155  0.3358862      8.187389  -2.487778      65.26192 
1 1 1 12  18  27 f 94.24240 43.89228 1.956174       5.984780  4.308458       6.557326  -6.254089      65.82214 
1 1 1 12  18  28 o 95.28602 39.51363 2.572980       4.118604  4.172759       3.592742  -8.760986      59.82589 
1 1 1 12  18  29 o 101.5138 48.05733 8.113192       5.688181  0.000000       0.000000  ?              ?        
1 1 1 12  19  0  o 128.9480 53.63894 -0.1358573     6.841860  7.526166       7.359825  -37.80823      86.30375 
1 1 1 12  19  1  o 118.8257 51.53032 -0.4372233     7.015455  3.569315       7.036419  -17.26987      83.58640 
1 1 1 12  19  2  o 168.3167 73.50918 17.05114       14.71791  -0.6437806     14.31271  45.01649       114.4806 
1 1 1 12  19  3  o 150.5816 69.17057 6.847163       14.67117  -2.954036      14.84023  20.50923       109.6746 
1 1 1 12  19  4  o 281.3986 41.30151 21.22468       7.266526  18.32972       6.751885  19.34947       87.20166 
1 1 1 12  19  5  o 172.0714 54.02257 8.352865       6.453686  7.496053       6.389361  6.270432       90.29284 
1 1 1 12  19  6  o 143.5840 53.32058 3.735444       6.313331  5.946577       6.341557  -13.93306      86.69135 
1 1 1 12  19  7  o 109.8210 47.99497 -5.105956      5.987857  6.426954       6.425575  -59.98320      79.93251 
1 1 1 12  19  8  o 129.4029 51.88478 3.414075       6.155779  2.464231       6.536619  2.925171       84.53687 
1 1 1 12  19  9  o 154.5674 52.95249 7.916545       5.988193  3.767952       6.250328  27.96196       86.60567 
1 1 1 12  19  10 o 176.5692 51.58451 7.498708       5.919985  8.668595       6.088928  -9.487579      88.02554 
1 1 1 12  19  11 o 238.6274 44.69942 17.72306       6.449049  10.77658       6.300683  59.82750       86.54287 
1 1 1 12  19  12 o 162.8732 55.09777 7.180094       6.612560  6.421140       6.622634  5.100601       90.75362 
1 1 1 12  19  13 o 106.9843 47.79236 -3.057168      6.363570  2.075591       6.593496  -24.12873      79.66734 
1 1 1 12  19  14 o 113.6557 53.24522 0.000000       0.000000  -3.626272      6.662959  ?              ?        
1 1 1 12  19  15 o 281.7967 47.31621 28.37974       7.514391  10.21158       8.540123  140.2882       90.70217 
1 1 1 12  19  16 o 217.1216 54.78983 13.26659       7.324663  13.09324       7.433088  1.782791       97.83391 
1 1 1 12  19  17 o 100.4501 46.59230 -6.507916      6.945319  2.639711       6.921426  -31.61535      77.94296 
1 1 1 12  19  18 f 128.3613 53.56122 -1.841679      7.101439  8.842376       7.094922  -48.91756      85.43555 
1 1 1 12  19  19 o 182.1811 55.78980 8.276078       6.945187  12.44589       6.849387  -27.93250      92.23509 
1 1 1 12  19  20 o 88.72438 42.54924 -2.543468      6.869652  -4.008411      6.617033  5.502686       70.56562 
1 1 1 12  19  21 o 96.20572 44.64775 5.431731       6.419132  -5.682808      6.341209  36.93255       72.84190 
1 1 1 12  19  22 o 119.7732 49.18653 7.141815       5.875053  1.627815       5.836964  26.45074       76.73759 
1 1 1 12  19  23 o 99.59026 44.49141 0.9056563      5.489182  3.046929       5.744683  -8.991005      69.86884 
1 1 1 12  19  24 o 75.80762 36.43822 -4.151217      4.808511  0.8013262      5.233259  -17.03236      59.96857 
1 1 1 12  19  25 o 70.58106 34.35743 -3.579501      4.634198  -0.9574881     5.029969  -9.085609      56.18846 
1 1 1 12  19  26 o 77.63115 37.17167 3.642747       5.749500  -3.412197      4.630338  23.59271       60.40203 
1 1 1 12  19  27 o 77.36319 37.13147 -6.016252      5.215925  6.137912       5.099189  -31.18655      59.09342 
1 1 1 12  19  28 o 75.80584 36.61867 -0.3482672     4.671115  1.349581       5.988086  -6.384735      56.47504 
1 1 1 12  20  0  o 142.5941 53.89851 6.340168       6.353721  5.463566       6.711398  4.362686       85.74448 
1 1 1 12  20  1  o 89.18632 42.20517 2.898623       6.121415  -9.112081      6.267368  39.19295       71.85293 
1 1 1 12  20  2  f 88.41861 42.75269 -5.632471      7.005223  -5.295505      7.288079  -2.991119      72.76469 
1 1 1 12  20  3  o 143.9911 56.46285 12.70125       7.193015  -2.596774      7.516783  76.45718       88.19215 
1 1 1 12  20  4  f 111.1156 54.53672 -5.701673      12.72049  -14.19911      13.09420  11.78122       90.88970 
1 1 1 12  20  5  o 145.4577 66.09743 4.175480       12.63453  1.243864       13.41122  5.068573       104.2568 
1 1 1 12  20  6  o 112.8791 49.20253 0.5498845      6.231598  1.403844       6.747519  -7.182007      80.46752 
1 1 1 12  20  7  o 94.03754 43.53054 -1.319636      5.977196  -2.909011      6.036570  5.628311       73.16878 
1 1 1 12  20  8  o 198.7756 51.06871 9.874069       6.133051  11.55531       6.547735  -12.41226      90.67845 
1 1 1 12  20  9  o 146.5341 53.36583 2.802015       6.218313  8.178639       6.359640  -34.52896      86.29337 
1 1 1 12  20  10 o 167.6771 56.22827 7.428164       6.786426  8.027750       7.003419  -4.166260      92.34417 
1 1 1 12  20  11 o 295.3965 45.15897 20.63342       7.774967  24.09768       8.273352  -22.16153      95.31474 
1 1 1 12  20  12 o 117.0965 51.97089 5.422539       7.619231  -4.312407      7.444882  39.56613       85.45010 
1 1 1 12  20  13 o 95.25181 45.48335 -12.10106      7.318115  3.545669       7.747386  -50.27374      79.35723 
1 1 1 12  20  14 o 175.5644 72.13923 0.000000       0.000000  9.647228       8.913553  ?              ?        
1 1 1 12  20  15 o 183.6335 63.57186 12.02383       8.653780  9.165771       8.999157  15.25977       102.0104 
1 1 1 12  20  16 o 154.8578 61.12677 8.401978       8.634103  5.719640       8.693864  11.66844       96.29728 
1 1 1 12  20  17 o 144.5617 58.51071 7.504386       8.286800  4.586209       8.005538  12.94786       92.04301 
1 1 1 12  20  18 o 180.4110 60.46301 10.54424       8.126835  11.89475       7.821430  -8.360489      96.75715 
1 1 1 12  20  19 o 110.9676 51.09642 0.6495448      8.185905  1.655662       8.054052  -2.417793      80.64630 
1 1 1 12  20  20 f 119.1268 53.10744 1.806385       7.737038  5.833521       8.187982  -13.18714      82.22137 
1 1 1 12  20  21 o 162.5242 59.52818 9.511065       7.621252  12.27515       8.079432  -10.65768      91.22920 
1 1 1 12  20  22 o 130.2192 54.57470 5.388560       7.058508  8.872921       7.838372  -11.54877      82.25803 
1 1 1 12  20  23 o 92.24134 44.21460 3.640611       8.079225  -2.839658      6.645586  17.63428       69.99138 
1 1 1 12  20  24 o 78.89437 38.47083 1.468864       5.920454  -5.999410      6.333806  14.48595       61.55704 
1 1 1 12  20  25 o 93.75230 43.22516 0.3878539      5.851014  4.841722       5.823117  -12.87366      65.63324 
1 1 1 12  20  26 o 78.59577 37.56893 -1.741930      5.047324  2.682216       5.283652  -12.02950      58.41991 
1 1 1 12  20  27 o 74.74306 35.55718 -0.2034741     4.619769  0.9976836      4.408271  -2.846718      55.04269 
1 1 1 12  20  28 o 79.55276 37.58836 3.133343       4.584706  0.4176549      5.233216  6.445679       56.27444 
1 1 1 12  21  0  o 107.3134 48.01130 0.2895018      6.399812  1.616905       6.735186  -6.749374      77.37652 
1 1 1 12  21  1  o 102.7199 46.51256 0.1782673E-01  6.207708  0.6131657      6.548757  -4.059708      75.29630 
1 1 1 12  21  2  o 137.0022 53.41796 0.5290143      6.290061  11.07183       6.839389  -57.25711      84.76825 
1 1 1 12  21  3  o 121.9743 50.63314 3.681378       5.943458  2.677111       6.720099  1.781677       80.83848 
1 1 1 12  21  4  o 127.8289 54.74852 9.623112       7.599487  -3.700501      7.892776  52.69631       87.10509 
1 1 1 12  21  5  o 118.1245 51.77103 0.5614733      7.249216  2.784005       7.258299  -8.843353      83.37668 
1 1 1 12  21  6  o 89.30501 42.55474 -9.819585      6.226606  3.838247       6.846754  -48.90679      74.15597 
1 1 1 12  21  7  o 165.5410 71.48129 4.299934       12.69562  15.84339       14.24525  -30.14500      109.8562 
1 1 1 12  21  8  o 195.1376 76.85269 15.58134       13.23500  15.06557       14.14545  2.964050       116.6429 
1 1 1 12  21  9  o 109.0607 50.14012 1.551548       7.749661  -3.414338      7.801862  15.87537       82.19729 
1 1 1 12  21  10 o 99.15370 47.17400 -4.508671      7.621093  -3.184837      8.307820  -7.983261      79.01733 
1 1 1 12  21  11 o 134.0730 56.43561 2.534196       7.846620  5.150519       8.134047  -11.81819      89.99137 
1 1 1 12  21  12 o 164.5780 64.15019 6.401503       8.609859  11.57519       10.56944  -22.46545      101.6784 
1 1 1 12  21  13 o 183.2975 65.30035 13.09900       9.342628  9.500173       9.364347  17.16635       103.4028 
1 1 1 12  21  14 o 245.8535 66.69913 21.97667       12.29796  19.43621       9.214022  -9.196518      114.9220 
1 1 1 12  21  15 o 105.8606 50.09684 2.989180       8.722102  -7.673883      8.730830  27.15842       82.35052 
1 1 1 12  21  16 o 117.6030 53.50561 -1.121865      8.630855  4.205969       8.480949  -15.20464      84.78686 
1 1 1 12  21  17 f 111.3381 51.44983 1.458676       8.411075  0.4472149      8.266002  3.207298       81.33344 
1 1 1 12  21  18 o 103.5256 49.30770 2.285768       8.904760  -4.207604      8.555944  15.62489       78.80263 
1 1 1 12  21  19 f 227.5547 59.86318 13.10744       8.464785  24.83861       8.662906  -66.17690      101.1580 
1 1 1 12  21  20 o 117.5686 52.74717 -0.4112745     7.824863  8.659220       8.144363  -27.30254      81.49153 
1 1 1 12  21  21 o 92.95577 44.72581 -1.116775      7.359695  -1.297833      7.839791  -1.105797      70.75338 
1 1 1 12  21  22 o 107.8063 49.56383 6.269163       7.684223  1.632011       7.514913  11.80489       74.73425 
1 1 1 12  21  23 o 86.35431 41.78539 -2.125917      6.597119  1.523640       7.144694  -8.732315      65.17739 
1 1 1 12  21  24 o 91.59212 43.45691 4.781212       6.426204  -1.139752      6.896109  12.66959       65.81660 
1 1 1 12  21  25 o 80.44409 39.29544 3.192308       6.435974  -4.225129      6.489376  13.72962       60.97697 
1 1 1 12  21  26 o 107.5519 47.88634 6.612563       6.170623  8.704114       6.759273  -3.627838      67.39349 
1 1 1 12  21  27 o 71.37622 35.04179 0.5788426      5.360610  -1.611789      5.316941  4.270416       53.91055 
1 1 1 12  22  0  o 111.9342 50.27309 3.593903       7.136050  -0.2257598E-01 7.412337  11.27267       79.50651 
1 1 1 12  22  1  o 93.00800 44.47141 1.914975       7.465616  -7.194431      7.040936  26.51437       74.04128 
1 1 1 12  22  2  f 103.2952 47.17965 1.393073       6.579594  -1.119382      6.901760  7.048347       76.04750 
1 1 1 12  22  3  o 101.7485 46.62727 -5.318758      6.269632  6.952999       7.110309  -47.82912      77.36332 
1 1 1 12  22  4  o 105.7882 47.95304 -0.7082675     6.467980  2.114922       7.174697  -13.33794      77.49005 
1 1 1 12  22  5  o 116.8426 50.78876 1.884313       6.746628  3.045882       6.975226  -5.545753      80.82741 
1 1 1 12  22  6  o 111.4522 52.05955 -2.005977      8.636357  0.5666016      9.186039  -8.963348      84.00013 
1 1 1 12  22  7  o 113.8435 53.39042 -4.147810      9.340493  2.128353       9.704952  -17.03500      86.37203 
1 1 1 12  22  8  o 185.0028 71.68557 17.37382       11.82006  10.05555       11.65053  24.90837       109.2970 
1 1 1 12  22  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  22  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  22  11 o 123.6660 57.37752 -1.240405      10.36187  4.257866       10.69922  -13.65593      90.36211 
1 1 1 12  22  12 o 148.9708 62.09848 -0.1110734     8.388700  21.95983       11.30574  -76.71650      99.80168 
1 1 1 12  22  13 o 177.6008 64.84611 14.05521       9.343105  10.60896       9.243085  14.44206       100.0940 
1 1 1 12  22  14 o 137.3839 60.46665 12.41867       11.66163  2.428396       8.879071  28.76757       94.06059 
1 1 1 12  22  15 o 124.6716 55.64864 0.4628274      8.986471  7.038400       8.551117  -18.62625      86.15369 
1 1 1 12  22  16 o 131.9919 57.91151 -0.2838066E-01 9.256875  10.98222       8.948219  -32.64928      88.77927 
1 1 1 12  22  17 o 96.70996 46.89122 4.028133       9.087010  -9.763713      8.438263  30.48529       77.23101 
1 1 1 12  22  18 o 112.5676 52.02931 8.476483       8.641953  -3.540559      8.428555  31.26269       81.48653 
1 1 1 12  22  19 o 116.9790 53.37320 0.8164941      8.527408  7.947062       8.653566  -18.11005      81.11762 
1 1 1 12  22  20 o 112.6335 51.55021 4.522307       7.897644  4.184265       8.307200  0.6382141      77.49335 
1 1 1 12  22  21 o 83.27816 41.24815 0.6272391      8.076635  -8.532909      7.882526  14.89829       66.19881 
1 1 1 12  22  22 o 97.60973 46.31779 -0.2830477E-01 7.496394  5.850088       7.620216  -12.09851      69.58193 
1 1 1 12  22  23 o 103.9638 48.06779 -1.803652      7.075089  13.28208       7.529572  -35.14644      72.02307 
1 1 1 12  22  24 o 92.74325 44.25409 8.369761       6.808781  -3.037877      7.422707  22.07901       66.14140 
1 1 1 12  22  25 o 83.93416 40.67637 3.028810       6.407223  1.055810       6.722197  3.311638       60.34083 
1 1 1 12  22  26 o 69.08424 34.68349 3.332966       6.318946  -10.33263      6.742210  16.69950       54.64934 
1 1 1 12  23  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  23  1  o 134.0404 60.46789 6.183004       7.530825  0.000000       0.000000  ?              ?        
1 1 1 12  23  2  o 168.8828 61.90183 9.404197       8.489161  13.68982       8.471701  -18.77567      94.87879 
1 1 1 12  23  3  o 161.2805 60.17994 6.292671       7.740724  14.24100       8.465107  -34.26413      93.31339 
1 1 1 12  23  4  o 111.2377 51.60668 -1.602485      7.988870  3.847970       9.155310  -17.91395      82.23912 
1 1 1 12  23  5  o 105.9840 51.13822 -4.875826      9.880561  0.2421762      10.30837  -10.80297      81.69663 
1 1 1 12  23  6  o 127.9271 58.80653 9.944546       10.21463  -3.315434      11.24150  28.47913       90.48029 
1 1 1 12  23  7  o 136.0959 61.16827 4.899975       10.50957  6.831620       11.08166  -5.132614      93.09373 
1 1 1 12  23  8  o 109.7417 52.94706 2.786800       10.76968  -7.950123      10.84808  19.15434       84.77325 
1 1 1 12  23  9  o 156.1148 66.24323 -1.799269      10.84626  23.60836       11.47930  -73.76440      101.3777 
1 1 1 12  23  10 o 121.5838 56.83961 -8.896800      10.62477  12.40017       10.66358  -47.41943      90.41454 
1 1 1 12  23  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  23  12 o 130.7526 65.73435 0.000000       0.000000  -3.914711      16.85352  ?              ?        
1 1 1 12  23  13 o 108.4924 51.25619 7.241009       9.807824  -5.997892      8.466368  34.90376       83.11751 
1 1 1 12  23  14 o 146.6089 65.75089 0.000000       0.000000  9.843130       8.758428  ?              ?        
1 1 1 12  23  15 o 126.6496 57.84282 7.390622       11.46285  3.642038       9.161675  9.789139       87.94541 
1 1 1 12  23  16 o 94.13213 46.73858 -9.673842      11.02899  -4.023541      10.01253  -4.538803      75.12963 
1 1 1 12  23  17 o 96.70461 48.00933 -0.8741260     9.046645  -17.41512      15.48703  3.297646       75.77058 
1 1 1 12  23  18 o 111.6217 53.91722 1.977764       9.177664  6.983094       16.17578  -8.975899      81.33999 
1 1 1 12  23  19 o 124.3961 57.83308 13.01416       9.020416  -0.4621810     14.24559  23.43022       82.58091 
1 1 1 12  23  20 o 99.88100 49.07536 -1.576676      8.840815  10.14369       13.84556  -15.06463      74.26418 
1 1 1 12  23  21 f 126.2709 59.54536 9.997165       11.74554  22.41888       12.55194  -13.49136      80.59807 
1 1 1 12  23  22 f 87.10229 43.37703 -2.579054      7.894635  1.799720       11.90097  -8.813942      66.34641 
1 1 1 12  23  23 o 87.61607 43.44592 2.871092       7.591062  -2.358186      11.43904  3.034637       64.38179 
1 1 1 12  23  24 o 82.12229 40.98380 4.469696       7.365667  -6.331872      10.37598  8.642502       60.67960 
1 1 1 12  23  25 o 74.41381 37.38028 -1.236796      6.453435  -2.053469      9.822797  -2.903938      56.57921 
1 1 1 12  23  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  24  2  o 124.3864 54.54445 9.925888       7.931396  -0.6210166E-01 8.197878  31.47655       83.55993 
1 1 1 12  24  3  o 100.8535 48.64278 -5.390180      8.952719  1.772568       9.264546  -14.94129      77.64213 
1 1 1 12  24  4  o 148.3318 63.77087 9.904685       10.15693  11.57495       11.05705  -2.912582      93.54487 
1 1 1 12  24  5  o 124.9194 58.71637 -1.170418      11.41158  10.57532       11.84705  -21.48674      89.04394 
1 1 1 12  24  6  o 148.0591 64.70109 15.46453       11.05220  4.441281       11.47290  27.13879       95.64643 
1 1 1 12  24  7  o 137.4388 62.37148 2.259113       11.37804  14.44185       11.69615  -25.31940      92.83288 
1 1 1 12  24  8  o 90.81161 45.46017 -7.186502      10.62587  -12.44383      11.02245  5.069290       74.20741 
1 1 1 12  24  9  o 121.5896 56.91495 -1.822953      10.55080  10.23920       10.91676  -23.98326      86.83967 
1 1 1 12  24  10 o 136.8045 60.37239 10.09487       11.22131  6.600108       9.139874  7.457291       90.02489 
1 1 1 12  24  11 o 105.5770 51.50796 9.240067       11.57564  -11.19065      10.50978  33.69939       82.55602 
1 1 1 12  24  12 o 106.2825 51.49561 -4.630036      11.11490  2.287715       9.972732  -8.872635      80.07944 
1 1 1 12  24  13 o 125.2643 59.45774 6.512841       11.79721  5.569064       13.27653  1.215141       87.76122 
1 1 1 12  24  14 o 128.1937 64.75779 0.000000       0.000000  11.65407       17.47733  ?              ?        
1 1 1 12  24  15 o 118.2742 58.78588 11.67318       16.98095  -1.780720      16.53434  10.56005       85.97395 
1 1 1 12  24  16 o 104.2518 50.63035 0.4127142      9.946997  2.097621       10.70335  -3.327126      76.79118 
1 1 1 12  24  17 o 92.78457 45.89627 3.876950       9.693583  -8.933722      9.825448  16.72701       71.69566 
1 1 1 12  24  18 o 82.35808 41.35301 -11.68401      9.049635  -0.1543495     9.538268  -14.32560      66.06458 
1 1 1 12  24  19 o 114.9884 53.56903 12.06313       9.327538  4.641902       9.316127  13.16604       76.37613 
1 1 1 12  24  20 o 93.39814 46.30885 -6.962055      11.94439  5.334390       8.984355  -10.57066      69.11105 
1 1 1 12  24  21 o 356.6010 44.13071 18.40835       8.825198  84.01092       10.49914  -310.3712      81.87762 
1 1 1 12  24  22 o 68.43071 34.84646 -11.11480      8.030983  -5.965057      8.364878  -5.327019      55.50448 
1 1 1 12  24  23 o 97.19547 47.53209 6.237450       8.081745  13.83069       12.22656  -2.947319      66.01991 
1 1 1 12  24  24 o 76.30032 38.19276 -0.8638004     7.498785  0.9363417      7.766318  -2.182915      56.87545 
1 1 1 12  24  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  25  4  o 118.6355 56.51453 -0.7441384     11.44989  9.166802       11.49560  -15.93412      84.83657 
1 1 1 12  25  5  f 96.75425 48.11662 -2.556535      11.37070  -8.865008      11.20419  7.986847       76.28291 
1 1 1 12  25  6  o 109.3409 53.13586 4.803345       11.37631  -3.666181      11.42001  12.08836       81.34553 
1 1 1 12  25  7  o 88.32581 44.08186 -0.4360248     10.73495  -12.12139      9.124126  19.93001       72.21256 
1 1 1 12  25  8  o 105.8119 50.53085 -4.968185      9.334202  6.797529       9.248224  -22.58698      78.54704 
1 1 1 12  25  9  o 111.2607 52.51033 1.034391       9.725810  3.667991       9.229049  -4.617645      80.14507 
1 1 1 12  25  10 o 108.6638 52.01432 -1.695975      11.55281  3.461667       8.897044  -4.979240      79.44951 
1 1 1 12  25  11 o 96.38864 47.62884 6.421853       11.47417  -10.45357      9.597419  26.57670       76.43105 
1 1 1 12  25  12 o 117.1740 57.53187 10.74441       12.34524  -5.163372      18.01659  13.29603       83.80343 
1 1 1 12  25  13 o 99.45224 49.33440 -5.360331      12.75938  0.6714337      10.67232  -3.835190      75.39470 
1 1 1 12  25  14 o 100.3832 50.06503 -1.489139      13.45296  -1.155153      11.87155  1.166580       75.62792 
1 1 1 12  25  15 o 89.73333 45.56076 -4.252994      13.25873  -14.66263      13.28981  7.230057       70.94933 
1 1 1 12  25  16 o 89.98480 45.44661 -2.916247      10.06590  -14.60532      16.41291  -0.1197357     70.09807 
1 1 1 12  25  17 o 94.53972 47.94384 -3.350245      14.21815  -4.866476      14.59533  0.6614609      71.98817 
1 1 1 12  25  18 o 91.51737 46.02451 -0.8302149     14.41171  -2.770367      10.14840  5.034088       69.50816 
1 1 1 12  25  19 o 82.23263 41.62338 -1.697800      12.44260  -7.532041      9.289234  8.661270       64.36707 
1 1 1 12  25  20 o 86.85402 43.06899 -1.286424      8.422087  4.897774       9.216032  -7.532936      63.83749 
1 1 1 12  25  21 o 85.24446 42.40316 3.998662       8.629331  -0.2400234     8.953801  4.453613       62.20996 
1 1 1 12  25  22 o 82.92728 41.40393 8.463674       8.580132  -5.030258      8.848289  13.70809       61.05483 
1 1 1 12  25  23 o 68.55818 34.93107 -8.959786      8.191133  -1.468843      8.463501  -6.156662      53.71560 
1 1 1 12  26  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 12  26  7  o 97.72139 48.13747 6.313741       11.31206  -7.370233      9.603782  20.85408       75.39050 
1 1 1 12  26  8  o 90.72451 45.17043 -16.24245      11.09809  3.087344       9.275212  -19.21638      71.68365 
1 1 1 12  26  9  o 119.3426 55.74469 -1.225800      11.51055  12.27377       9.258311  -24.20684      81.44154 
1 1 1 12  26  10 o 109.6358 53.18154 4.956389       11.75330  3.842696       10.85942  1.639793       78.23239 
1 1 1 12  26  11 o 128.8244 62.41569 17.81620       13.26883  14.76279       19.12918  9.031631       85.08105 
1 1 1 12  26  12 o 107.5025 52.57106 -1.058796      13.19702  8.656073       10.56047  -10.49403      76.64514 
1 1 1 12  26  13 o 91.84120 46.31461 -15.24137      12.73851  5.314442       11.96579  -15.66980      71.16070 
1 1 1 12  26  14 o 100.4358 49.11757 8.757570       10.24930  -2.215386      10.11724  14.06747       72.79482 
1 1 1 12  26  15 o 85.55046 42.95135 -6.035046      9.763745  -1.058408      10.25970  -5.686668      66.09729 
1 1 1 12  26  16 f 92.54569 46.87146 -4.541819      13.13802  4.535970       13.84081  -5.956718      69.08134 
1 1 1 12  26  17 o 91.09104 46.16106 3.577715       13.22676  -1.952885      13.15605  3.395065       67.47398 
1 1 1 12  26  18 o 94.40520 47.82022 7.750393       13.48948  3.415008       14.70863  2.527000       67.98557 
1 1 1 12  26  19 o 88.78970 45.01684 5.088123       12.21167  -0.3709440     13.13163  3.125931       65.01665 
1 1 1 12  26  20 o 75.45889 38.73378 -1.988927      12.11863  -15.56540      12.23033  6.323494       58.85002 
1 1 1 12  26  21 o 77.92607 39.62641 10.71214       12.20483  -7.131506      9.103642  12.10158       58.97153 
1 1 1 12  26  22 o 79.32026 41.07600 0.000000       0.000000  0.5117774      13.53090  ?              ?        
1 1 1 12  27  10 o 101.7784 51.88620 0.5694733      13.13309  0.000000       0.000000  ?              ?        
1 1 1 12  27  11 o 85.38577 43.43846 -10.07511      12.99405  -7.823279      12.05849  -0.2190475     67.19994 
1 1 1 12  27  12 o 93.46186 46.68705 1.118759       10.28889  -1.489248      12.23753  1.029655       69.63744 
1 1 1 12  27  13 o 94.25185 46.53589 4.169226       9.687996  -0.6633125     10.06123  5.430084       68.98689 
1 1 1 12  27  14 o 102.8459 50.04870 1.636214       10.24103  11.38489       10.17416  -11.91622      71.71391 
1 1 1 12  27  15 o 91.06477 45.35601 12.96430       10.48027  -8.113472      9.913780  21.58911       68.00362 
1 1 1 12  27  16 o 88.80089 44.95671 0.4950824E-01  10.71859  2.942210       14.94525  -2.814941      65.70473 
1 1 1 12  27  17 o 89.84097 45.32898 8.453277       14.97453  2.013643       10.17269  3.575035       65.10609 
1 1 1 12  27  18 o 92.49709 45.80677 10.47922       9.606046  2.559101       10.05660  7.880798       64.58838 
1 1 1 12  27  19 o 79.98317 41.38394 0.000000       0.000000  -6.233717      13.14326  ?              ?        
1 1 1 13  -21 0  f 72.40321 36.05643 -3.415739      4.545010  0.000000       0.000000  ?              ?        
1 1 1 13  -21 1  o 80.19350 37.74340 -0.5640735     4.681623  2.270573       4.995089  -9.363922      58.68746 
1 1 1 13  -21 2  o 76.24136 36.37062 1.336122       4.833646  -1.778451      4.740802  9.285370       57.40120 
1 1 1 13  -21 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  -20 0  o 90.69008 40.60100 4.646392       4.634524  -0.2415825E-01 4.769151  17.85860       62.40340 
1 1 1 13  -20 1  o 82.35345 38.11490 0.6352151      4.491601  1.085418       4.720778  -2.352417      59.62466 
1 1 1 13  -20 2  o 108.1754 44.86286 8.662416       4.847795  0.2358259      5.029929  39.51636       68.10928 
1 1 1 13  -20 3  o 94.89581 41.21617 0.2274631      4.456973  5.209438       4.562993  -22.87614      63.93945 
1 1 1 13  -20 4  o 120.2421 46.51191 5.791587       5.160528  5.796685       4.734270  -1.276299      70.83936 
1 1 1 13  -20 5  o 72.60184 35.27471 -0.7859747     5.510354  -3.344620      4.635072  11.19419       57.78025 
1 1 1 13  -20 6  o 101.3244 48.09926 6.878052       10.53318  1.297417       6.903679  11.83495       73.02045 
1 1 1 13  -19 0  o 79.20015 37.02543 2.449564       4.421560  -3.156692      4.617843  19.28713       59.61066 
1 1 1 13  -19 1  o 113.6423 44.51223 -0.7530248E-01 4.304690  10.44655       4.875032  -62.40064      69.61520 
1 1 1 13  -19 2  o 90.10724 40.44975 1.757292       4.630972  0.8894464      4.772510  3.061653       63.72287 
1 1 1 13  -19 3  o 99.59978 42.47305 3.026959       4.506153  2.378492       4.749597  2.587769       66.19521 
1 1 1 13  -19 4  f 75.97443 35.98271 1.280335       4.498796  -3.567708      4.540076  16.57911       58.82032 
1 1 1 13  -19 5  o 72.79308 34.86720 -2.798873      4.422162  -0.5976436     4.573304  -8.094574      57.19746 
1 1 1 13  -19 6  o 81.51953 38.19238 2.754858       5.252833  -2.677619      4.526484  22.53818       62.30322 
1 1 1 13  -19 7  f 78.49358 37.15632 -0.9138337     5.223188  -1.078185      4.476493  4.713989       60.26685 
1 1 1 13  -19 8  o 107.1274 45.65065 7.268918       5.833275  1.264956       4.944285  26.68378       71.10135 
1 1 1 13  -18 0  o 70.80309 34.22325 -2.425342      4.361775  -3.013466      4.804089  -1.463028      56.94533 
1 1 1 13  -18 1  o 95.50593 41.56662 2.739142       4.452278  0.9634293      4.776340  7.182671       65.50780 
1 1 1 13  -18 2  o 90.05299 40.16068 -2.832198      4.451998  5.414895       4.659621  -39.27314      64.88026 
1 1 1 13  -18 3  o 121.2821 45.56276 4.582084       4.474799  5.321189       4.840838  -4.305916      71.56041 
1 1 1 13  -18 4  o 118.8349 45.23734 3.708855       4.499779  5.713862       4.742220  -12.31687      71.00780 
1 1 1 13  -18 5  o 90.28916 40.05838 4.360145       4.457524  -2.110517      4.482381  30.43252       64.21723 
1 1 1 13  -18 6  o 103.5391 42.89801 1.920499       4.400918  3.809642       4.621716  -11.08094      67.68388 
1 1 1 13  -18 7  o 78.21046 37.11891 1.668183       5.213932  -4.030380      4.566020  23.60631       61.90083 
1 1 1 13  -18 8  o 91.38284 40.94023 1.040103       5.223840  1.319581       4.446470  2.156822       64.98410 
1 1 1 13  -18 9  o 71.71027 34.76014 -8.974788      5.490857  0.6453042      4.313038  -18.61145      57.98768 
1 1 1 13  -18 10 o 86.38017 40.15827 2.390157       5.801294  -1.718255      4.748100  19.13017       65.23170 
1 1 1 13  -17 0  o 111.1950 49.02138 1.732246       6.054532  4.385709       7.303697  -12.71219      77.14585 
1 1 1 13  -17 1  o 105.9399 47.48101 1.532281       5.894063  2.288530       7.194085  -6.922668      75.20486 
1 1 1 13  -17 2  o 109.7340 46.22517 7.234851       6.299613  0.5249884      4.751043  36.83418       74.97285 
1 1 1 13  -17 3  o 80.47007 38.24944 -8.527725      6.057493  1.583277       4.622909  -21.34215      63.17417 
1 1 1 13  -17 4  o 119.9851 45.84816 7.894499       4.754226  0.6871400      4.752171  45.84651       72.04645 
1 1 1 13  -17 5  o 94.77061 41.57139 5.379634       4.715858  -2.775202      4.657019  40.64944       67.08683 
1 1 1 13  -17 6  o 115.3906 44.34187 5.045953       4.493179  2.782261       4.433195  14.78187       70.27911 
1 1 1 13  -17 7  o 97.71257 41.55523 1.212649       4.277679  2.814752       4.543201  -9.839142      66.22269 
1 1 1 13  -17 8  o 128.3106 46.57109 9.331085       5.105416  2.040509       4.514779  48.91022       74.14921 
1 1 1 13  -17 9  f 90.88515 40.53081 1.969939       4.836978  -0.1917276     4.458621  12.06715       65.33553 
1 1 1 13  -17 10 o 122.8016 46.34526 8.480926       5.642614  2.881639       4.276818  33.26598       74.45869 
1 1 1 13  -17 11 o 100.0834 43.54793 6.291045       5.554599  -0.8980820     4.666080  36.54650       70.22203 
1 1 1 13  -17 12 o 88.52954 40.43777 1.245283       5.703676  -0.1849431     4.430949  11.90920       65.48849 
1 1 1 13  -16 0  o 72.68549 34.85299 -3.119568      4.206509  -2.636045      4.913033  -8.158218      59.24688 
1 1 1 13  -16 1  o 82.46280 38.02481 0.4569050      4.336404  -2.533695      4.726854  9.592842       62.76864 
1 1 1 13  -16 2  o 89.96672 40.25318 1.086257       4.274056  -1.060145      5.047422  4.356766       65.63341 
1 1 1 13  -16 3  o 124.5107 45.90614 3.784863       4.390323  5.023271       5.023510  -9.884224      74.02009 
1 1 1 13  -16 4  o 103.2259 45.22966 1.875619       4.742584  0.1179310      6.923469  -4.064400      73.40738 
1 1 1 13  -16 5  o 94.86148 44.41631 0.4233023      6.452695  -3.460348      6.635048  11.25043       72.76414 
1 1 1 13  -16 6  o 162.5426 56.48745 8.085661       6.866146  10.07225       7.074370  -10.64856      89.81516 
1 1 1 13  -16 7  o 158.9022 54.72309 8.347696       6.275836  8.811960       6.825323  -1.262466      87.34753 
1 1 1 13  -16 8  o 146.8181 54.09572 11.82598       6.563288  3.092175       6.419357  47.56039       84.60017 
1 1 1 13  -16 9  o 107.4051 48.23662 -1.494963      7.230990  4.274088       6.258450  -16.53127      75.98943 
1 1 1 13  -16 10 o 98.31532 46.14183 5.584962       9.060473  -3.506651      6.069082  36.18143       77.51434 
1 1 1 13  -16 11 o 105.5391 49.86454 2.169303       11.74390  -1.015419      7.086736  18.62255       80.70416 
1 1 1 13  -16 12 o 118.4449 53.48656 1.023831       12.67453  4.580696       6.680160  -0.3057022     82.71278 
1 1 1 13  -16 13 o 90.80746 42.82252 -9.360031      11.71387  0.3891835      4.792766  8.098801       70.86251 
1 1 1 13  -15 0  o 101.1999 44.98671 0.2903119      5.375016  0.8603045      6.007704  -6.481003      73.30396 
1 1 1 13  -15 1  o 111.3955 47.58197 -1.461544      5.534400  6.249262       6.153284  -41.01289      77.37259 
1 1 1 13  -15 2  o 181.8481 51.93903 13.36056       5.952734  5.805180       6.367457  57.27682       86.13993 
1 1 1 13  -15 3  o 137.7411 52.10459 2.429104       5.776129  9.100746       6.487280  -40.09843      83.49981 
1 1 1 13  -15 4  f 175.0299 50.79761 8.032219       5.604362  10.47717       6.103816  -16.68073      86.28248 
1 1 1 13  -15 5  o 159.6732 52.77243 8.942017       5.979944  6.666409       6.176214  15.51909       85.83556 
1 1 1 13  -15 6  o 82.67793 39.71269 -4.457216      5.596787  -3.144444      6.316281  -9.645821      67.41728 
1 1 1 13  -15 7  o 222.8630 51.15525 18.90031       6.744130  9.623055       7.114993  73.66667       91.22848 
1 1 1 13  -15 8  f 163.5287 54.20393 14.13882       6.348904  2.473274       6.469668  74.84222       85.19735 
1 1 1 13  -15 9  o 131.8696 51.60159 1.358059       5.746351  9.860399       6.596745  -47.51855      82.35671 
1 1 1 13  -15 10 o 117.5744 49.23601 -0.2639717     6.114535  6.734437       5.949340  -32.59366      77.80798 
1 1 1 13  -15 11 o 136.0916 53.18610 9.211366       6.210803  2.143771       6.840764  34.65929       82.49917 
1 1 1 13  -15 12 o 128.3783 50.58329 9.760325       6.159348  0.8062664      5.712390  48.76577       79.86692 
1 1 1 13  -15 13 f 125.6463 51.75014 4.881065       6.313520  4.984104       6.719596  -0.8660202     80.40954 
1 1 1 13  -15 14 o 112.7356 46.42507 -1.374760      5.661538  6.928438       4.893452  -40.11950      72.33366 
1 1 1 13  -15 15 o 95.32774 46.48442 0.000000       0.000000  -3.795620      6.314950  ?              ?        
1 1 1 13  -14 0  o 178.4738 42.78690 9.239654       4.368871  7.204583       5.057230  21.96474       77.31729 
1 1 1 13  -14 1  o 237.3988 32.93367 15.36469       4.467910  11.56866       5.018956  42.92873       70.26701 
1 1 1 13  -14 2  f 75.21939 35.09513 -2.697548      3.799449  -1.073284      4.296917  -13.48508      60.15456 
1 1 1 13  -14 3  o 140.9057 44.58323 4.218219       4.074227  6.499689       4.729371  -21.34067      74.80373 
1 1 1 13  -14 4  o 92.98264 40.34058 -0.6657070     4.023569  1.802979       4.667048  -20.28027      67.08295 
1 1 1 13  -14 5  o 106.4801 42.71141 4.494516       4.134375  -0.7909075     4.479499  32.97314       68.74620 
1 1 1 13  -14 6  o 97.09602 40.94272 0.1015338      4.025820  2.329783       4.434144  -17.28859      67.21342 
1 1 1 13  -14 7  o 113.4044 43.00081 2.277182       3.938740  3.919234       4.425797  -14.76466      69.96066 
1 1 1 13  -14 8  o 259.7921 30.99599 19.46217       4.692220  12.93724       5.130520  66.68478       68.56236 
1 1 1 13  -14 9  o 98.40481 41.73391 1.781680       4.221658  0.5194800      4.652552  4.051277       67.92092 
1 1 1 13  -14 10 o 126.4795 50.16690 0.000000       0.000000  4.028175       4.144803  ?              ?        
1 1 1 13  -14 11 o 86.70703 38.67044 -0.8416672     3.991240  1.046910       4.496212  -14.16026      63.94556 
1 1 1 13  -14 12 o 86.49951 38.90660 6.947279       4.854408  -4.941207      4.010095  70.31084       66.57770 
1 1 1 13  -14 13 o 91.24404 40.16077 -1.835617      4.942662  2.297032       4.015617  -13.85440      64.92962 
1 1 1 13  -14 14 o 170.0535 54.07534 0.000000       0.000000  9.601878       4.536186  ?              ?        
1 1 1 13  -14 15 o 138.5163 48.65810 5.768663       5.748492  6.311117       4.750054  -4.585724      77.94559 
1 1 1 13  -14 16 o 105.7896 46.76351 2.777009       6.231479  1.297878       5.859776  7.178673       74.02782 
1 1 1 13  -13 0  o 307.2942 27.13477 26.60792       5.106579  17.12018       5.132250  74.74307       58.95218 
1 1 1 13  -13 1  o 132.3199 44.52967 3.585188       4.180505  5.064561       4.479935  -14.03876      73.73070 
1 1 1 13  -13 2  o 130.7534 45.58606 4.289375       4.244130  3.806528       4.907577  0.4344635      75.12243 
1 1 1 13  -13 3  o 141.3347 43.13017 6.050879       3.957736  3.781929       4.319073  20.08223       72.37179 
1 1 1 13  -13 4  o 221.9353 33.37623 11.47561       4.284352  12.16209       4.642829  -4.548676      69.12824 
1 1 1 13  -13 5  o 215.3933 35.37487 11.39444       4.429477  11.09748       4.708498  5.009445       72.03841 
1 1 1 13  -13 6  o 216.7708 35.81440 9.980979       4.353590  13.42488       5.011151  -30.60309      72.78720 
1 1 1 13  -13 7  o 187.5796 38.65715 8.053555       4.169537  9.725354       4.552614  -15.81158      73.77846 
1 1 1 13  -13 8  o 139.5492 44.52179 3.516941       4.179616  6.854633       4.533350  -30.22268      74.04631 
1 1 1 13  -13 9  o 186.3009 39.26240 9.295928       4.169405  8.485706       4.659493  11.29964       74.58971 
1 1 1 13  -13 10 o 103.3871 43.68457 2.147111       5.756918  1.075398       4.221779  16.41231       72.18341 
1 1 1 13  -13 11 o 152.0726 42.47415 4.824260       4.108871  7.639314       4.213053  -27.08685      72.90087 
1 1 1 13  -13 12 o 131.2145 43.35085 4.829731       3.947170  4.416096       4.272207  2.944687       71.53119 
1 1 1 13  -13 13 o 109.8961 43.61617 3.070299       4.697406  2.437900       4.209358  6.630669       70.37641 
1 1 1 13  -13 14 o 84.58561 38.21767 -1.285483      4.882065  0.3214893      3.847816  1.117783       63.06151 
1 1 1 13  -13 15 o 91.92957 40.20552 2.901818       5.123394  -0.5297471     3.852349  27.14175       66.99306 
1 1 1 13  -13 16 o 81.81258 37.69282 -0.7821525     5.112235  -0.7977998     3.959470  9.199417       62.65135 
1 1 1 13  -13 17 f 64.53004 31.60425 -4.343138      4.523456  -4.342327      4.041551  4.849991       54.64993 
1 1 1 13  -12 0  o 93.20029 39.91258 0.1150733      3.917639  0.5687073      4.342502  -7.562309      66.45596 
1 1 1 13  -12 1  o 154.8617 44.72149 5.110909       4.437045  6.885421       4.640484  -17.10657      76.55256 
1 1 1 13  -12 2  o 294.9074 27.32456 19.95477       4.811885  19.89159       5.082922  2.050568       56.97991 
1 1 1 13  -12 3  o 271.8146 29.22360 18.30773       4.795696  15.73456       4.906505  23.39973       61.60461 
1 1 1 13  -12 4  o 245.6189 30.93714 16.51199       4.443711  11.17262       4.794936  53.83330       65.99786 
1 1 1 13  -12 5  o 126.1716 43.19709 1.550775       3.912570  6.158615       4.246508  -42.78200      70.78295 
1 1 1 13  -12 6  o 86.53955 38.13968 -0.5799674     3.799773  -0.1243743     4.205515  -7.522072      64.03113 
1 1 1 13  -12 7  o 88.09431 38.55605 -1.272301      3.852042  1.161710       4.191074  -18.66064      64.62418 
1 1 1 13  -12 8  o 219.0726 33.90185 10.79524       4.183488  12.41704       4.795856  -12.71007      69.90151 
1 1 1 13  -12 9  o 89.98009 38.85056 -0.4105688     3.917731  0.9448819      4.001204  -9.361076      64.43595 
1 1 1 13  -12 10 o 88.82211 38.68082 -1.084383      3.935020  1.418484       4.054677  -16.39738      64.20867 
1 1 1 13  -12 11 o 144.8700 42.92079 6.290504       3.945997  4.647701       4.345217  15.08174       72.60732 
1 1 1 13  -12 12 o 111.5776 42.58824 4.772030       4.129539  0.7833196      4.067864  30.35284       68.87019 
1 1 1 13  -12 13 o 99.36419 40.48404 0.1382174E-01  3.981228  3.201298       3.877443  -21.11691      65.70574 
1 1 1 13  -12 14 o 82.64758 37.65445 -3.702893      4.451629  1.606621       4.083330  -22.12696      62.60592 
1 1 1 13  -12 15 o 141.4870 45.30980 2.393886       5.174805  7.742877       4.031597  -41.18389      72.75499 
1 1 1 13  -12 16 o 84.34942 38.37089 1.715379       4.963617  -2.049383      3.989694  26.08518       64.68729 
1 1 1 13  -12 17 o 73.75328 35.19630 -0.9316864     5.336030  -3.562031      3.951377  21.86068       60.95177 
1 1 1 13  -12 18 o 102.0379 41.92587 0.6676971      4.569662  3.430531       4.001881  -13.70690      66.91356 
1 1 1 13  -11 0  o 124.7123 44.30722 2.369986       4.143963  4.492000       4.482808  -20.18338      73.12384 
1 1 1 13  -11 1  o 127.5248 44.25333 2.016270       4.197245  5.283160       4.358900  -29.12403      72.82602 
1 1 1 13  -11 2  o 275.7233 28.35376 24.37400       4.744696  10.08985       4.817122  124.7032       63.46865 
1 1 1 13  -11 3  o 301.1035 26.68665 20.40089       4.848864  20.73097       5.021648  -1.830170      55.13427 
1 1 1 13  -11 4  f 267.3596 42.66783 17.08612       4.835680  0.000000       0.000000  ?              ?        
1 1 1 13  -11 5  o 173.4763 42.26546 7.077800       4.434079  7.586427       4.581007  -5.227066      76.08266 
1 1 1 13  -11 6  o 289.7446 26.30378 20.22911       4.537240  17.78930       4.828833  21.43256       55.04128 
1 1 1 13  -11 7  o 305.3163 25.87205 24.84620       4.741652  17.16391       4.974561  61.28336       55.49871 
1 1 1 13  -11 8  o 169.3040 39.62647 5.883030       3.862399  8.423091       4.357505  -26.90874      72.15758 
1 1 1 13  -11 9  o 185.9946 35.88530 9.046330       3.829941  7.489988       4.172662  18.38681       69.38282 
1 1 1 13  -11 10 o 91.66212 38.83601 1.233658       3.684015  -0.2485641     3.977613  6.631119       64.21031 
1 1 1 13  -11 11 o 177.1969 38.74140 7.761776       4.086697  7.862930       4.194202  -0.7652283     72.38039 
1 1 1 13  -11 12 o 197.6897 36.03419 7.302274       4.053800  12.54184       4.492173  -53.18962      70.33422 
1 1 1 13  -11 13 o 114.9957 41.52162 2.597894       3.825249  3.659346       3.766707  -8.589752      67.81244 
1 1 1 13  -11 14 o 105.8263 41.36240 2.293005       3.847295  2.199476       4.025532  -0.6042175     67.32185 
1 1 1 13  -11 15 o 192.6165 38.51843 8.427245       4.711249  10.54916       4.213191  -25.63321      74.26205 
1 1 1 13  -11 16 o 116.7250 43.65990 4.972723       5.063157  2.596110       3.743934  22.15372       71.88191 
1 1 1 13  -11 17 o 288.9512 39.60051 0.000000       0.000000  22.05341       4.887207  ?              ?        
1 1 1 13  -11 18 o 131.9150 45.94538 7.537799       5.466909  3.738505       4.062112  27.97388       75.80923 
1 1 1 13  -11 19 o 98.40988 40.81727 1.640132       4.301568  2.050628       3.901315  -0.1417007     65.67888 
1 1 1 13  -10 0  o 166.8519 41.73764 7.792675       4.141401  5.380109       4.497946  23.90819       73.96230 
1 1 1 13  -10 1  o 372.2571 22.71772 31.57494       5.122171  30.34681       5.325717  8.247284       46.24231 
1 1 1 13  -10 2  o 83.08085 37.41816 1.241571       3.883515  -4.193451      4.261157  25.49851       63.36038 
1 1 1 13  -10 3  o 280.0331 26.66431 17.01419       4.425234  18.50457       4.743367  -11.34286      55.06091 
1 1 1 13  -10 4  o 214.9838 32.55447 12.64247       4.152862  8.581152       4.260619  43.32965       66.15047 
1 1 1 13  -10 5  o 56.32485 28.30575 -5.627893      4.343260  -12.79841      4.454057  17.31433       52.96563 
1 1 1 13  -10 6  o 408.8775 22.45557 32.43675       5.532040  42.81574       5.826734  -57.93134      45.76245 
1 1 1 13  -10 7  o 202.6248 36.72649 8.723120       4.187992  10.88855       4.759189  -21.32225      72.10282 
1 1 1 13  -10 8  o 283.8352 25.38277 16.15594       4.186193  20.84198       4.702730  -36.56024      52.36684 
1 1 1 13  -10 9  f 104.1380 40.58809 3.414472       3.682704  -0.7837657E-01 3.882986  25.61546       66.27976 
1 1 1 13  -10 10 o 138.2606 41.59155 3.857100       3.734211  5.482189       3.991802  -17.35616      70.55247 
1 1 1 13  -10 11 o 276.8797 26.30011 18.50483       4.306586  16.48719       4.637758  19.41473       55.43298 
1 1 1 13  -10 12 o 117.6808 44.97809 3.241937       3.843358  1.626162       5.992533  -4.820053      74.86875 
1 1 1 13  -10 13 o 123.1024 42.97426 2.706600       3.960034  4.545110       4.115054  -16.61712      70.64864 
1 1 1 13  -10 14 o 110.1955 41.46444 5.125034       3.844022  0.1626606      3.860050  39.45879       66.76227 
1 1 1 13  -10 15 o 133.7527 43.37041 2.147354       4.135280  7.051557       4.089900  -43.29205      70.69964 
1 1 1 13  -10 16 o 251.0629 31.21208 20.44319       5.192828  11.62947       4.414100  74.91490       66.56726 
1 1 1 13  -10 17 f 212.2990 35.57927 8.409626       5.079611  13.49059       4.112035  -60.36449      71.98801 
1 1 1 13  -10 18 o 241.1098 32.61440 10.97399       5.162530  17.19406       4.427679  -70.29811      70.85023 
1 1 1 13  -10 19 o 144.5444 44.78997 7.250359       5.394520  5.504272       3.846899  11.31902       75.93306 
1 1 1 13  -10 20 o 121.1391 43.21338 2.178914       4.273392  5.746385       3.941657  -26.79909      69.18189 
1 1 1 13  -9  0  o 118.2327 43.98337 1.270966       4.086174  4.351290       4.572647  -29.00816      72.59849 
1 1 1 13  -9  1  o 284.6811 26.86443 20.76835       4.552603  15.53473       4.836215  44.91063       56.98586 
1 1 1 13  -9  2  o 321.5192 24.20152 20.72778       4.567414  26.20226       5.052033  -38.07385      49.45282 
1 1 1 13  -9  3  o 223.7523 32.49327 17.45509       4.423240  5.836361       4.334614  115.2488       65.10224 
1 1 1 13  -9  4  o 406.5492 21.09077 35.69894       5.144334  38.04383       5.472281  -12.53775      42.69139 
1 1 1 13  -9  5  o 379.4293 21.49421 36.06563       5.067754  28.16678       5.009462  48.10532       43.86835 
1 1 1 13  -9  6  o 114.1583 42.70707 -1.128653      4.007513  6.108416       4.143505  -60.73855      68.49883 
1 1 1 13  -9  7  o 205.9158 33.79923 10.84274       4.066575  8.664887       4.276654  24.07079       67.65219 
1 1 1 13  -9  8  o 411.9851 21.62309 40.92689       5.498605  34.69743       5.514860  35.04016       43.96111 
1 1 1 13  -9  9  o 203.0296 33.04131 12.52206       3.938884  6.362803       4.102881  66.95821       65.41661 
1 1 1 13  -9  10 o 135.4392 41.64444 8.211916       3.826738  0.3799801      3.849271  75.52032       65.96571 
1 1 1 13  -9  11 o 84.69274 38.29252 -5.753004      5.060421  1.227472       3.802737  -19.48334      64.38878 
1 1 1 13  -9  12 o 402.2320 28.35995 37.01562       4.971533  0.000000       0.000000  ?              ?        
1 1 1 13  -9  13 o 89.43217 38.17864 -0.1238094     3.602446  0.8927929      3.900682  -10.26161      63.53120 
1 1 1 13  -9  14 o 104.1401 40.40881 2.648120       3.685228  1.285020       3.781777  9.911407       66.11225 
1 1 1 13  -9  15 f 245.9904 27.12607 12.53170       3.972195  16.05429       4.176700  -32.73253      57.56964 
1 1 1 13  -9  16 o 261.8990 27.61224 18.03240       4.517722  14.42815       4.325521  31.54198       58.75708 
1 1 1 13  -9  17 o 97.53654 40.83225 -0.5906231     4.431121  2.687547       3.908759  -16.08916      66.33627 
1 1 1 13  -9  18 f 96.51901 41.18029 -2.199996      4.947335  3.170664       3.927008  -21.82462      66.41733 
1 1 1 13  -9  19 o 92.42692 40.21909 4.337315       5.146108  -1.297870      3.782654  41.68188       68.08502 
1 1 1 13  -9  20 o 81.34482 36.30167 1.984342       4.052502  -1.532858      3.467547  25.08389       60.60727 
1 1 1 13  -9  21 o 197.4702 49.86685 0.000000       0.000000  11.95215       4.319574  ?              ?        
1 1 1 13  -8  0  f 157.6545 38.81584 3.532623       3.608460  8.795790       3.956098  -58.26692      67.62388 
1 1 1 13  -8  1  o 269.6966 24.90152 20.65114       4.171947  12.32977       4.067955  72.75540       53.09665 
1 1 1 13  -8  2  o 343.0839 21.38137 28.19099       4.516249  24.32198       4.539459  26.25473       43.56639 
1 1 1 13  -8  3  o 276.0712 24.94325 17.05977       4.026980  17.26491       4.456763  -0.1858215     51.58898 
1 1 1 13  -8  4  o 204.3903 31.25733 10.84311       3.702073  8.195489       3.988535  30.31473       63.61252 
1 1 1 13  -8  5  o 143.5671 40.02641 4.744941       3.642439  5.007886       3.755995  -3.317245      69.27315 
1 1 1 13  -8  6  o 389.2190 19.57261 30.99659       4.594452  36.61666       4.835721  -32.74142      39.57472 
1 1 1 13  -8  7  o 205.6907 32.59249 11.61553       3.857467  7.536564       4.205291  45.15346       65.69587 
1 1 1 13  -8  8  o 345.0313 21.86255 27.35635       4.687801  25.71726       4.623227  10.85760       44.35773 
1 1 1 13  -8  9  o 112.3282 40.71581 0.9211396      3.657001  3.986012       3.651495  -27.45973      66.77080 
1 1 1 13  -8  10 o 298.5721 24.75134 15.17917       4.174216  27.03997       5.030862  -88.82481      51.17253 
1 1 1 13  -8  11 o 234.5462 43.88431 0.000000       0.000000  13.16043       4.348888  ?              ?        
1 1 1 13  -8  12 o 314.1967 25.45159 24.04359       4.238207  18.74846       6.084329  49.22409       60.38815 
1 1 1 13  -8  13 o 262.2407 25.44038 15.07049       4.003648  16.27489       4.174798  -10.03096      52.78444 
1 1 1 13  -8  14 o 100.0648 39.04647 -1.026896      3.435909  4.591544       3.569032  -47.91222      63.21925 
1 1 1 13  -8  15 o 136.4041 41.15680 4.862568       3.646516  4.318287       3.911954  4.493195       69.73436 
1 1 1 13  -8  16 o 239.6608 26.92496 14.29247       3.933090  12.61588       3.934287  16.89638       57.04408 
1 1 1 13  -8  17 o 168.8034 38.44382 7.938837       4.104151  6.633986       3.785474  13.08881       70.99620 
1 1 1 13  -8  18 o 139.9441 43.79401 5.701335       4.629305  4.883078       3.908314  8.185089       73.64429 
1 1 1 13  -8  19 o 180.3909 40.57605 6.327252       4.846230  10.34931       4.105614  -43.62354      73.82968 
1 1 1 13  -8  20 o 192.2950 39.60293 11.65698       5.408947  8.800439       4.025077  16.35736       77.42661 
1 1 1 13  -8  21 o 119.5108 43.41408 6.547799       4.491788  1.919249       3.888503  36.86979       70.37918 
1 1 1 13  -8  22 o 63.56773 30.96500 -6.286166      4.160740  -1.770606      3.740648  -10.91280      53.55990 
1 1 1 13  -7  0  f 321.7115 21.59356 22.75010       4.229948  23.47946       4.340898  -4.959229      43.89026 
1 1 1 13  -7  1  o 550.5110 17.46112 68.68949       5.922041  65.45107       5.989156  13.62280       35.15773 
1 1 1 13  -7  2  o 141.9725 38.92072 5.269324       3.497564  4.202680       3.562019  11.49268       67.51357 
1 1 1 13  -7  3  o 404.7196 18.99166 39.34669       4.776108  33.37469       4.733523  33.92831       38.43782 
1 1 1 13  -7  4  o 652.2132 17.37163 97.64841       7.113652  90.68645       6.933764  24.18384       34.92564 
1 1 1 13  -7  5  o 538.3751 17.84368 61.54774       5.717448  67.24564       6.215586  -23.41229      35.93578 
1 1 1 13  -7  6  o 337.3195 20.99272 27.60726       4.311305  22.94277       4.432988  32.43484       42.93594 
1 1 1 13  -7  7  o 605.5694 17.38611 80.40164       6.433442  81.93637       6.619081  -5.501892      34.97398 
1 1 1 13  -7  8  o 108.6981 38.82238 2.141159       3.298240  2.584207       3.318019  -4.453568      64.22561 
1 1 1 13  -7  9  o 199.3591 30.72631 9.595332       3.723722  8.657918       3.633733  10.43150       62.11830 
1 1 1 13  -7  10 o 285.1924 23.51757 17.29833       4.066114  19.13981       4.183531  -14.76340      48.08867 
1 1 1 13  -7  11 o 84.04373 40.17918 0.000000       0.000000  -5.302782      4.177858  ?              ?        
1 1 1 13  -7  12 o 100.4468 39.67124 1.209390       3.407913  1.702198       3.954937  -10.15103      65.83654 
1 1 1 13  -7  13 o 250.4243 26.65693 12.75294       3.956635  15.93785       4.209967  -28.99602      55.41133 
1 1 1 13  -7  14 o 89.63792 37.38131 -1.505541      3.388552  2.887621       3.524410  -34.75638      61.85357 
1 1 1 13  -7  15 o 302.7976 22.10516 20.67917       4.099436  20.75142       4.147878  -0.3352966     45.30835 
1 1 1 13  -7  16 o 134.6579 39.82401 3.605790       3.478463  5.420249       3.645746  -19.52811      67.67162 
1 1 1 13  -7  17 o 274.3651 23.19834 17.80825       3.933068  16.82972       3.889813  8.175934       48.26218 
1 1 1 13  -7  18 o 231.5427 29.83328 17.32929       4.346117  8.840987       4.041469  83.67468       62.96910 
1 1 1 13  -7  19 o 188.0028 37.54177 12.31279       4.774454  6.895000       3.829707  50.70120       72.25395 
1 1 1 13  -7  20 o 97.39825 39.94204 -0.3920133     4.118499  3.183839       3.635807  -20.15347      64.41409 
1 1 1 13  -7  21 o 139.3546 43.72505 8.341094       5.108269  3.894482       3.659613  37.72474       74.56608 
1 1 1 13  -7  22 o 164.9817 50.36708 0.000000       0.000000  8.450159       3.978769  ?              ?        
1 1 1 13  -7  23 o 145.1517 41.80767 8.997961       4.138143  3.528702       3.818077  50.68406       69.98471 
1 1 1 13  -6  0  o 568.7385 17.33476 71.27194       6.012077  71.83411       6.209858  -1.951660      34.87574 
1 1 1 13  -6  1  o 566.1048 17.02535 69.21358       5.868840  72.56532       6.080667  -13.25775      34.22689 
1 1 1 13  -6  2  o 124.1439 39.59625 3.948206       3.431651  2.957098       3.443463  10.17459       66.42004 
1 1 1 13  -6  3  o 308.8037 21.38041 21.84151       4.037461  20.58187       4.103929  9.629303       43.45939 
1 1 1 13  -6  4  o 438.2597 17.89804 47.12033       4.971291  38.26217       4.747540  46.04218       36.10174 
1 1 1 13  -6  5  o 441.0950 18.05883 47.99213       5.083190  38.65298       4.791367  48.10541       36.41101 
1 1 1 13  -6  6  o 308.0508 21.66172 25.51962       4.226264  17.18381       4.008300  62.36444       44.63206 
1 1 1 13  -6  7  o 641.4730 23.83059 91.56470       6.693587  0.000000       0.000000  ?              ?        
1 1 1 13  -6  8  o 364.7861 19.26351 31.46145       4.457963  27.78906       4.237572  22.75281       38.91800 
1 1 1 13  -6  9  o 410.2879 18.10081 36.80601       4.601702  37.79650       4.589320  -5.578979      36.49469 
1 1 1 13  -6  10 o 523.0660 16.77303 62.45274       5.514653  58.64919       5.359253  16.42920       33.73099 
1 1 1 13  -6  11 o 452.3095 18.76067 40.57075       5.461017  49.40260       5.065972  -45.83755      38.42109 
1 1 1 13  -6  12 o 200.1608 30.86169 8.499820       3.779592  9.815291       3.642022  -15.30710      62.44934 
1 1 1 13  -6  13 o 613.6885 17.20002 80.60517       6.359669  86.44189       6.739459  -21.14172      34.60430 
1 1 1 13  -6  14 o 215.7141 39.69956 11.04407       3.617971  0.000000       0.000000  ?              ?        
1 1 1 13  -6  15 o 341.9721 20.50833 27.38384       4.222629  24.85238       4.447067  17.99005       41.93250 
1 1 1 13  -6  16 o 271.2499 23.62261 17.09515       3.899813  16.31215       3.971526  7.204041       48.86030 
1 1 1 13  -6  17 o 229.2784 27.39505 11.81207       3.795452  12.60582       3.843564  -7.945694      57.50521 
1 1 1 13  -6  18 o 75.41817 33.54696 -0.6351987     3.214415  -0.2440500     3.099226  -1.010910      56.21886 
1 1 1 13  -6  19 o 145.6686 39.58016 4.894078       3.852464  5.901987       3.509280  -10.54613      68.85946 
1 1 1 13  -6  20 o 78.39654 35.39842 -0.2096971     4.118025  -0.9702411     3.326537  13.01889       59.77991 
1 1 1 13  -6  21 f 114.3573 42.00022 2.864706       4.532827  3.530581       3.484865  -0.4189377     68.46110 
1 1 1 13  -6  22 o 178.5778 45.94395 0.000000       0.000000  9.103358       3.619385  ?              ?        
1 1 1 13  -6  23 o 190.4516 49.67776 11.02178       4.192639  0.000000       0.000000  ?              ?        
1 1 1 13  -5  0  o 500.1260 17.28168 54.43025       5.234642  56.22358       5.480600  -7.861847      34.77073 
1 1 1 13  -5  1  o 72.34133 33.16112 1.057662       3.336633  -4.364086      3.398620  31.52509       57.21891 
1 1 1 13  -5  2  o 470.2821 17.65628 53.28745       5.221077  44.72486       5.065731  41.55753       35.58033 
1 1 1 13  -5  3  o 207.0644 27.90057 11.62070       3.521871  7.862292       3.464075  42.02989       57.40759 
1 1 1 13  -5  4  o 553.9158 16.59824 66.57416       5.669584  68.87006       5.724437  -9.429138      33.34093 
1 1 1 13  -5  5  o 215.4339 27.49603 12.26524       3.579140  8.683645       3.602744  39.06122       57.03013 
1 1 1 13  -5  6  o 175.6609 32.58795 8.809860       3.440151  5.460011       3.400728  40.03743       62.47261 
1 1 1 13  -5  7  f 135.3187 37.84759 1.600080       3.156656  7.450219       3.466247  -67.15546      62.48453 
1 1 1 13  -5  8  o 231.4076 35.38401 12.30697       3.477660  0.000000       0.000000  ?              ?        
1 1 1 13  -5  9  o 442.8530 17.12367 43.59017       4.672290  43.13008       4.718436  2.457489       34.46157 
1 1 1 13  -5  10 o 357.4695 26.52617 0.000000       0.000000  28.66071       4.129607  ?              ?        
1 1 1 13  -5  11 o 516.4011 16.65352 63.66842       5.513855  54.82812       5.159243  38.64365       33.48959 
1 1 1 13  -5  12 o 253.7523 25.42847 16.27674       4.044689  12.82879       3.859359  31.41841       52.58609 
1 1 1 13  -5  13 o 97.54239 38.11489 1.228998       3.441240  1.506016       3.245888  0.4150391E-02  63.04168 
1 1 1 13  -5  14 o 348.2433 19.95542 25.39245       4.139574  28.81852       4.464343  -21.94113      40.39565 
1 1 1 13  -5  15 o 296.6346 22.20678 17.17660       3.833900  22.97091       4.323195  -43.68945      45.37362 
1 1 1 13  -5  16 o 568.7595 16.78560 71.42754       5.779956  72.30134       6.061489  -2.838989      33.85645 
1 1 1 13  -5  17 o 199.8799 30.76497 9.757577       3.678244  8.980890       3.706689  9.034622       62.79358 
1 1 1 13  -5  18 o 115.7809 39.31214 2.917095       3.276793  3.343857       3.469665  -5.439110      65.16098 
1 1 1 13  -5  19 o 112.6851 38.37064 3.039198       3.146530  3.027096       3.277333  -0.6751175     63.43486 
1 1 1 13  -5  20 o 283.2102 23.50243 18.04181       4.368064  18.92307       3.862062  -11.49091      49.75747 
1 1 1 13  -5  21 o 67.78223 32.02398 -3.670155      3.940830  -1.190664      3.238497  -2.479340      54.83754 
1 1 1 13  -5  22 o 127.1433 41.63967 9.353866       4.709311  1.997648       3.253928  67.52315       70.12275 
1 1 1 13  -5  23 o 81.02572 35.29826 -0.8130530     3.638918  1.216550       3.085403  -7.176735      57.80705 
1 1 1 13  -5  24 o 89.64491 37.37343 3.151937       3.665076  -0.1671440     3.271488  25.97173       60.98977 
1 1 1 13  -4  0  o 475.5253 17.19516 51.74804       5.012688  48.08447       5.116605  17.83035       34.63709 
1 1 1 13  -4  1  o 567.5237 16.52510 71.27005       5.713542  70.85941       5.914488  1.900391       33.21323 
1 1 1 13  -4  2  o 736.0079 16.90387 123.4324       7.763076  115.5583       7.673002  24.39221       33.97174 
1 1 1 13  -4  3  o 718.3163 16.74275 114.2937       7.420152  113.2003       7.501196  3.575867       33.64267 
1 1 1 13  -4  4  o 1059.749 19.32669 251.9496       12.79694  244.1621       12.61513  16.60706       38.83303 
1 1 1 13  -4  5  o 569.6339 16.14376 71.21966       5.681899  71.90285       5.715722  -2.708740      32.41156 
1 1 1 13  -4  6  o 592.1013 16.14529 79.94967       5.994010  74.78999       5.857376  19.79626       32.41282 
1 1 1 13  -4  7  o 531.2538 22.78202 62.59581       5.296452  0.000000       0.000000  ?              ?        
1 1 1 13  -4  8  o 160.5776 33.10583 5.445942       3.110903  6.555842       3.271202  -13.95428      62.26694 
1 1 1 13  -4  9  o 370.5881 17.54951 30.74336       4.000529  29.98663       4.045609  4.767242       35.36567 
1 1 1 13  -4  10 o 95.14036 36.55322 2.093989       3.005774  0.7074792      3.059677  12.14281       60.31173 
1 1 1 13  -4  11 o 310.9814 19.78805 22.73518       3.861931  20.32752       3.736146  17.63757       40.10027 
1 1 1 13  -4  12 o 107.0380 37.95999 0.8661007      3.156398  3.737190       3.158612  -28.43236      62.24666 
1 1 1 13  -4  13 o 402.0286 18.52671 37.89891       4.600867  33.69575       4.614951  24.10303       37.43116 
1 1 1 13  -4  14 o 231.2473 24.83227 13.34902       3.625205  10.86409       3.398537  24.55617       51.28713 
1 1 1 13  -4  15 o 144.9565 38.56136 6.799965       3.536357  3.156389       3.518959  40.42271       66.28175 
1 1 1 13  -4  16 o 501.2032 16.60991 55.60559       5.070565  55.76744       5.248011  -0.3684692     33.46820 
1 1 1 13  -4  17 o 246.7440 24.48931 13.45329       3.619554  14.22902       3.783772  -6.640732      50.78318 
1 1 1 13  -4  18 o 82.98386 35.31160 -0.1363866     3.076657  0.7588269      3.302325  -9.547028      58.84706 
1 1 1 13  -4  19 o 92.01719 36.87106 0.8317977      3.011139  1.809835       3.425510  -12.45353      60.85614 
1 1 1 13  -4  20 o 99.06393 37.34061 1.800034       3.121917  2.207578       3.131943  -3.743561      61.13092 
1 1 1 13  -4  21 o 111.7574 40.44938 5.272736       4.141768  1.510566       3.234048  37.62778       67.05688 
1 1 1 13  -4  22 o 100.2866 39.10371 1.159124       3.957260  2.698488       3.184698  -6.057220      63.48475 
1 1 1 13  -4  23 o 139.5115 38.27246 4.772204       3.673057  5.523210       3.198740  -8.719955      66.41148 
1 1 1 13  -4  24 o 77.22374 34.37134 2.452700       3.624167  -1.871014      3.077399  32.01498       57.81277 
1 1 1 13  -4  25 o 71.84925 32.64275 -0.2276845     3.314349  -0.7725426     3.043189  6.069733       54.33664 
1 1 1 13  -3  0  o 547.8077 16.45638 68.63948       5.564529  63.75152       5.607330  20.50000       33.08678 
1 1 1 13  -3  1  o 615.0353 16.13026 83.13335       6.072395  83.71616       6.227936  -1.996948      32.38670 
1 1 1 13  -3  2  o 715.8744 16.54930 111.3010       7.237691  114.7340       7.465770  -10.72620      33.25044 
1 1 1 13  -3  3  o 443.3603 16.86153 42.01904       4.514331  44.93473       4.752659  -14.76657      33.90875 
1 1 1 13  -3  4  f 490.1274 16.51915 51.74548       4.887192  54.42661       5.153913  -12.20352      33.20529 
1 1 1 13  -3  5  o 80.78017 34.63722 0.5019034E-01  3.070433  -0.1753931     3.141411  0.6309433      58.17413 
1 1 1 13  -3  6  o 227.8928 24.82896 12.63157       3.459583  10.67395       3.447038  20.24312       51.34990 
1 1 1 13  -3  7  o 540.1825 15.92120 62.04603       5.230572  66.81120       5.433534  -19.96899      31.96424 
1 1 1 13  -3  8  o 330.3720 18.18855 26.05767       3.783797  22.37575       3.646255  25.44949       36.73138 
1 1 1 13  -3  9  o 396.8392 16.60551 32.63058       4.032121  37.00906       4.126943  -25.20050      33.43102 
1 1 1 13  -3  10 o 174.3333 29.60576 8.089497       3.088787  5.821165       3.085712  28.50224       58.33498 
1 1 1 13  -3  11 f 157.2479 32.23497 4.595814       3.003437  6.923275       3.075102  -29.61870      60.29427 
1 1 1 13  -3  12 o 301.6172 20.50352 20.38533       3.832720  20.09248       3.794348  2.162689       41.60035 
1 1 1 13  -3  13 o 465.0439 24.01281 53.57955       6.890929  42.83688       6.916480  53.59125       49.00690 
1 1 1 13  -3  14 o 163.0185 44.75941 6.751400       4.653111  5.829698       4.674099  8.769608       77.70428 
1 1 1 13  -3  15 o 255.4348 32.22190 16.70511       5.324043  13.43584       4.715610  27.81294       66.69460 
1 1 1 13  -3  16 o 222.1985 37.14727 9.966968       4.749931  13.37079       5.153875  -32.64334      74.00803 
1 1 1 13  -3  17 o 364.4085 26.22884 27.03807       5.540207  33.84860       6.314133  -40.54025      53.74354 
1 1 1 13  -3  18 o 151.3891 45.26503 3.813658       4.288865  8.033830       4.935513  -40.70061      76.64324 
1 1 1 13  -3  19 f 152.9085 46.75339 5.751017       4.791495  6.056289       4.902290  -2.943375      78.93091 
1 1 1 13  -3  20 o 214.0694 40.44219 14.78798       5.350720  8.704135       5.013026  56.62154       78.22339 
1 1 1 13  -3  21 o 156.9689 47.95941 8.393255       6.136813  5.718255       4.457517  22.00699       82.23196 
1 1 1 13  -3  22 o 225.8451 47.63219 28.25013       10.45016  10.62887       5.081461  80.97519       99.47389 
1 1 1 13  -3  23 o 111.5214 49.18414 0.000000       0.000000  1.547706       4.696458  ?              ?        
1 1 1 13  -3  24 o 135.0530 48.30222 2.049446       5.753525  7.427931       4.662304  -33.66483      76.38567 
1 1 1 13  -3  25 o 133.7984 50.27825 2.734652       5.847052  7.942962       5.488937  -30.25468      79.12289 
1 1 1 13  -2  0  o 210.2603 27.26309 10.08018       3.428470  9.884521       3.517760  2.453278       56.10255 
1 1 1 13  -2  1  o 296.3722 21.06477 21.74651       3.858750  17.31098       3.836206  34.74973       43.07008 
1 1 1 13  -2  2  o 228.3900 24.56475 12.34664       3.355669  10.99483       3.500017  14.43898       50.90903 
1 1 1 13  -2  3  o 180.2679 29.41023 6.365313       3.104480  8.587258       3.251588  -27.14960      58.48645 
1 1 1 13  -2  4  o 755.0952 16.29378 123.8384       7.571290  127.6451       7.694246  -11.39838      32.72871 
1 1 1 13  -2  5  o 527.5544 15.88757 60.97596       5.146709  61.84231       5.241240  -3.647034      31.91002 
1 1 1 13  -2  6  o 364.6988 18.00418 30.93456       4.076678  27.93833       4.044513  18.86151       36.32797 
1 1 1 13  -2  7  o 243.9388 23.29031 13.07870       3.411125  13.53859       3.556550  -4.016754      47.80133 
1 1 1 13  -2  8  o 152.6470 34.00711 5.826569       3.206559  5.034038       3.072981  10.13934       62.58506 
1 1 1 13  -2  9  o 681.8339 31.51303 103.9153       9.399266  0.000000       0.000000  ?              ?        
1 1 1 13  -2  10 o 571.2090 21.63631 68.30670       7.489384  76.55076       7.826963  -32.64417      43.57178 
1 1 1 13  -2  11 o 599.9724 21.55392 78.51720       7.988461  80.95387       8.029305  -9.268982      43.40163 
1 1 1 13  -2  12 o 335.4869 26.09714 21.35583       5.729924  28.20317       5.101417  -49.97546      55.52568 
1 1 1 13  -2  13 o 323.7966 36.76805 23.99568       5.129731  0.000000       0.000000  ?              ?        
1 1 1 13  -2  14 o 126.2554 44.05173 -1.415398      4.131293  8.644056       4.357508  -88.04572      68.38788 
1 1 1 13  -2  15 o 382.3813 18.52226 35.26381       4.288496  29.25732       4.478467  36.63931       37.74459 
1 1 1 13  -2  16 o 337.2346 23.31885 25.54132       4.195776  25.09798       5.945692  7.912323       51.02446 
1 1 1 13  -2  17 o 538.3942 22.34592 61.19194       7.325695  68.41122       7.574124  -30.30127      45.21111 
1 1 1 13  -2  18 f 384.2744 24.09180 31.29496       5.649967  35.29454       5.780150  -23.78232      49.19473 
1 1 1 13  -2  19 o 478.3390 22.20126 52.39036       6.509939  50.65581       6.631070  8.911469       45.19532 
1 1 1 13  -2  20 o 395.3552 23.06213 32.28156       5.402853  39.40616       5.891555  -39.46268      47.26602 
1 1 1 13  -2  21 o 74.08172 34.60642 0.3347861      4.139477  -3.955899      3.755305  25.36514       59.81163 
1 1 1 13  -2  22 o 270.3677 28.48652 17.53815       4.876661  17.17022       4.551893  0.4916382E-01  60.90704 
1 1 1 13  -2  23 o 107.4400 41.41158 2.164730       4.165852  2.899865       3.680656  -2.499260      67.13496 
1 1 1 13  -2  24 o 172.5550 39.81172 6.045997       4.286848  9.837599       4.070985  -40.04352      72.10380 
1 1 1 13  -2  25 o 78.91899 35.75755 -3.942308      3.910509  2.683313       3.648340  -32.03725      59.13106 
1 1 1 13  -2  26 o 103.3162 40.62078 1.663787       4.067077  3.360848       3.600600  -9.687141      64.95402 
1 1 1 13  -1  0  o 595.1683 16.24675 79.99445       5.978531  76.20813       6.006792  14.59821       32.62832 
1 1 1 13  -1  1  o 365.1958 18.37117 32.06795       4.182265  27.02268       4.115368  31.70981       37.13707 
1 1 1 13  -1  2  f 206.5243 27.07778 7.770241       3.362919  11.56528       3.408524  -42.74454      55.92497 
1 1 1 13  -1  3  o 537.1307 15.86726 64.32935       5.300114  62.99840       5.262227  5.629272       31.86806 
1 1 1 13  -1  4  o 703.9714 15.92921 104.7397       6.824978  114.1931       7.095072  -30.39935      32.00482 
1 1 1 13  -1  5  o 415.5555 16.47893 39.87244       4.305800  36.54260       4.176129  18.19675       33.15579 
1 1 1 13  -1  6  o 267.3449 20.36873 13.85128       3.251529  18.23296       3.463530  -37.55876      41.59782 
1 1 1 13  -1  7  o 381.4027 25.39584 0.000000       0.000000  32.46209       4.224415  ?              ?        
1 1 1 13  -1  8  o 410.4430 23.20276 37.82560       5.846584  37.05116       5.921148  4.504791       46.95372 
1 1 1 13  -1  9  o 125.3644 44.35919 3.093873       4.220412  3.242503       4.405005  -2.890900      73.50804 
1 1 1 13  -1  10 o 97.86835 41.45740 -3.481050      4.396736  3.824695       4.313236  -46.96949      68.56870 
1 1 1 13  -1  11 o 643.2986 18.26029 87.47336       6.236716  99.66553       9.115885  -39.44244      38.57080 
1 1 1 13  -1  12 o 689.0100 31.12245 0.000000       0.000000  106.2075       9.381621  ?              ?        
1 1 1 13  -1  13 o 523.2217 22.13005 68.48651       7.336142  53.72121       7.007967  64.32977       44.78740 
1 1 1 13  -1  14 o 155.7698 41.12025 4.827642       4.097191  6.586816       3.967848  -17.94441      71.90941 
1 1 1 13  -1  15 o 595.9309 21.08415 74.10411       7.657406  83.85343       7.912591  -37.12830      42.51599 
1 1 1 13  -1  16 o 457.5783 21.72321 44.54858       6.155923  48.47107       6.140954  -19.80164      43.92001 
1 1 1 13  -1  17 o 81.35487 37.43086 4.595499       4.404564  -8.438560      4.287410  72.43052       64.88604 
1 1 1 13  -1  18 o 429.6947 18.04719 40.27028       5.792147  41.41380       4.188255  -10.12106      38.70417 
1 1 1 13  -1  19 o 511.9264 15.41364 56.75559       4.795365  59.61922       4.988675  -12.37970      31.04599 
1 1 1 13  -1  20 o 261.6263 20.71110 16.21428       3.282830  14.66272       3.387321  14.47752       42.72440 
1 1 1 13  -1  21 o 237.7214 21.62109 12.94342       3.128808  12.87815       3.178736  0.9874420      44.89958 
1 1 1 13  -1  22 o 354.9189 16.83787 29.58963       3.790740  27.23000       3.608984  14.48758       34.24363 
1 1 1 13  -1  23 o 107.6478 37.55348 2.000165       3.640007  3.243007       2.719727  -5.911339      61.86763 
1 1 1 13  -1  24 o 94.84961 36.87023 2.042166       3.968440  1.807249       2.644022  11.72762       61.28431 
1 1 1 13  -1  25 o 115.8858 36.46045 4.980089       3.270684  2.582910       2.667492  26.85941       61.40680 
1 1 1 13  -1  26 o 109.3900 37.61274 5.956264       3.176553  0.7290452      3.002923  50.75938       60.12457 
1 1 1 13  0   0  o 466.3893 16.60035 44.56924       4.622205  51.98545       4.988753  -35.94147      33.35819 
1 1 1 13  0   1  o 126.9242 37.99592 2.564959       3.208363  4.806359       3.240728  -25.14265      64.13348 
1 1 1 13  0   2  o 484.8930 16.17564 51.72500       4.837602  52.06109       4.879968  -1.535034      32.50241 
1 1 1 13  0   3  o 433.1146 16.59207 42.48458       4.455073  40.41195       4.444040  10.96851       33.38283 
1 1 1 13  0   4  o 347.5966 18.31219 29.07441       4.049174  24.71913       3.829178  28.43152       36.97844 
1 1 1 13  0   5  o 423.6414 16.45412 40.46142       4.354402  38.91154       4.278235  8.279510       33.10693 
1 1 1 13  0   6  o 238.2878 33.87050 13.02196       3.440582  0.000000       0.000000  ?              ?        
1 1 1 13  0   7  o 688.5029 22.02515 105.5564       9.349335  104.8567       9.440684  2.498108       44.38247 
1 1 1 13  0   8  o 557.3312 21.29807 68.55881       7.277699  69.19976       7.423894  -2.397644      42.92348 
1 1 1 13  0   9  o 374.9228 23.00758 30.01821       5.202365  32.62029       5.457074  -15.54150      46.60083 
1 1 1 13  0   10 o 576.7489 21.29401 73.64178       5.377732  0.000000       0.000000  ?              ?        
1 1 1 13  0   11 o 344.6143 23.42497 29.79989       5.190214  23.51777       4.789537  41.36307       47.57103 
1 1 1 13  0   12 o 116.1796 47.48199 0.000000       0.000000  1.298695       3.835459  ?              ?        
1 1 1 13  0   13 o 444.3425 21.41064 43.94075       5.884495  43.62472       5.883807  1.637451       43.20234 
1 1 1 13  0   14 o 101.5934 37.92912 1.716736       3.904486  1.872671       2.789562  11.31204       63.77406 
1 1 1 13  0   15 o 200.1509 23.68606 8.457781       2.886212  9.592632       2.881562  -13.40068      48.97743 
1 1 1 13  0   16 o 483.7611 15.06217 53.81551       4.603139  49.63686       4.430704  19.55002       30.25785 
1 1 1 13  0   17 o 249.0258 21.41820 13.39925       3.300788  14.28428       3.252707  -8.466797      43.85213 
1 1 1 13  0   18 o 401.2888 15.60795 38.79013       4.064649  32.99703       3.714633  32.41544       31.42229 
1 1 1 13  0   19 o 514.7446 14.33432 58.16344       4.691833  59.03342       4.461994  -4.335144      28.87507 
1 1 1 13  0   20 o 223.0295 21.01285 13.76912       2.956764  8.986513       2.795723  49.87256       44.12208 
1 1 1 13  0   21 o 106.9019 35.19744 2.902231       2.726289  2.408269       2.681495  5.888992       58.65001 
1 1 1 13  0   22 o 190.7159 24.58739 8.189533       2.824631  8.823324       2.858065  -7.627747      51.51667 
1 1 1 13  0   23 o 294.4063 18.52049 19.29136       3.670722  19.96079       3.125120  -8.879761      38.71217 
1 1 1 13  0   24 o 185.5958 28.13567 6.995507       3.507324  9.276004       2.864852  -33.96753      59.11456 
1 1 1 13  0   25 o 259.9706 28.30564 0.000000       0.000000  16.51301       3.175678  ?              ?        
1 1 1 13  0   26 o 98.08577 35.63375 1.784804       2.967001  2.893211       2.660175  -8.799652      57.81210 
1 1 1 13  0   27 o 137.2933 36.42432 4.279989       3.315247  6.003465       3.012148  -20.46362      63.36770 
1 1 1 13  1   0  o 266.2828 22.76437 12.03109       3.609905  20.08732       3.850093  -70.19209      47.67674 
1 1 1 13  1   1  o 738.4313 16.43770 116.9369       7.455851  123.5508       7.605422  -20.33746      33.01599 
1 1 1 13  1   2  o 177.7480 30.82716 6.549649       3.238613  7.987236       3.314441  -17.53227      60.63163 
1 1 1 13  1   3  o 291.4206 19.96111 20.05137       3.577688  17.68690       3.595706  18.87564       40.60174 
1 1 1 13  1   4  o 240.6085 22.64549 12.03771       3.337541  13.88840       3.342861  -18.08665      46.64796 
1 1 1 13  1   5  o 477.5383 15.79820 49.74094       4.731039  50.99077       4.617836  -6.175018      31.78184 
1 1 1 13  1   6  o 430.9400 22.83980 37.37323       5.909337  45.89394       6.274587  -44.79764      46.29218 
1 1 1 13  1   7  o 168.8406 42.32616 8.653685       4.382243  4.819088       4.467219  38.45702       74.34736 
1 1 1 13  1   8  o 369.7185 24.29268 33.32550       5.602585  27.82020       5.480465  34.29443       49.50565 
1 1 1 13  1   9  o 66.91957 30.65396 -0.8629304     2.727972  -1.988759      3.037809  1.916595       52.77641 
1 1 1 13  1   10 f 255.9005 28.09999 12.71500       4.298551  16.94890       4.481797  -38.48857      58.32179 
1 1 1 13  1   11 o 339.1369 23.34032 23.74272       4.828594  27.50274       4.933589  -25.51474      47.44845 
1 1 1 13  1   12 f 730.0483 30.31935 0.000000       0.000000  118.9342       9.687829  ?              ?        
1 1 1 13  1   13 o 641.1976 14.67955 90.88827       5.844345  90.15564       5.833199  2.603210       29.47172 
1 1 1 13  1   14 f 188.6157 24.50413 7.670329       2.829662  8.365380       2.769955  -8.824341      50.42397 
1 1 1 13  1   15 o 522.9353 14.34782 59.51411       4.672323  61.09814       4.627709  -6.993835      28.81324 
1 1 1 13  1   16 o 202.6023 22.82971 10.59206       2.848176  7.921060       2.791298  30.92125       47.43552 
1 1 1 13  1   17 o 160.5439 29.59992 7.513484       2.908398  4.507333       2.774789  39.34645       56.75052 
1 1 1 13  1   18 o 73.61561 32.66934 -3.597528      3.025478  2.110265       2.926777  -38.89465      55.07267 
1 1 1 13  1   19 o 496.2701 14.30925 53.64093       4.443677  55.22644       4.358469  -7.482971      28.78351 
1 1 1 13  1   20 o 365.1886 15.00857 27.11757       3.433897  31.95846       3.352965  -30.78122      30.45523 
1 1 1 13  1   21 o 107.7398 34.22269 1.899793       2.553970  3.547817       2.586364  -19.78246      57.11153 
1 1 1 13  1   22 o 387.7133 14.76204 35.90361       3.624606  31.42284       3.468323  26.01971       29.86534 
1 1 1 13  1   23 o 227.3844 21.06817 14.10202       3.032348  9.906110       2.851762  42.54723       44.34856 
1 1 1 13  1   24 o 152.9925 32.64938 1.280160       3.348334  8.982220       2.748100  -87.83757      55.11175 
1 1 1 13  1   25 o 470.0609 16.54623 48.58748       5.886799  51.08855       4.176409  -25.86252      36.57991 
1 1 1 13  1   26 o 75.43179 32.11518 -1.104799      2.816539  1.790266       2.485747  -18.17677      52.33629 
1 1 1 13  1   27 f 171.4556 28.75687 7.696207       3.086237  7.196439       2.830905  3.251709       58.98533 
1 1 1 13  2   0  o 101.4510 38.03302 3.070160       3.275427  0.5112008      3.194901  24.70998       62.58380 
1 1 1 13  2   1  o 166.1375 34.14157 7.283234       3.437264  5.542159       3.365590  21.02461       64.10843 
1 1 1 13  2   2  o 301.8397 20.45596 21.70908       3.860645  18.83937       3.756481  21.81528       41.51839 
1 1 1 13  2   3  f 771.2471 16.36058 137.6368       8.043151  125.4474       7.627828  35.63354       32.87099 
1 1 1 13  2   4  o 595.3281 15.53445 79.72114       5.818417  76.83294       5.649098  10.87952       31.20016 
1 1 1 13  2   5  o 284.6243 20.20825 17.17215       3.522542  18.93053       3.567345  -14.24301      41.09315 
1 1 1 13  2   6  o 106.1954 41.95176 1.024350       4.138461  2.108929       4.031186  -7.067078      69.25638 
1 1 1 13  2   7  o 623.7950 21.35521 88.13166       8.222976  84.74194       8.279867  12.61505       43.07612 
1 1 1 13  2   8  o 701.3255 18.11547 103.6178       6.685625  120.5892       10.05972  -49.22443      38.54582 
1 1 1 13  2   9  o 353.1004 23.99145 29.05525       5.165171  26.53190       5.284409  16.91760       48.90135 
1 1 1 13  2   10 o 372.8644 22.33413 35.75824       5.496758  27.13251       4.848290  51.87106       45.22531 
1 1 1 13  2   11 o 671.5549 20.91215 101.0861       8.804350  98.56908       8.601120  8.315125       42.07078 
1 1 1 13  2   12 o 522.2660 14.58120 59.96608       4.734623  60.20482       4.704091  -1.076233      29.25799 
1 1 1 13  2   13 o 591.3381 14.45375 76.14732       5.257526  77.82877       5.347443  -6.419495      29.02324 
1 1 1 13  2   14 o 979.7767 17.24240 213.4652       10.54510  210.0698       10.41512  8.089478       34.60379 
1 1 1 13  2   15 o 530.0735 14.27503 61.39816       4.651529  62.51749       4.728576  -4.741211      28.65369 
1 1 1 13  2   16 o 392.7205 14.82242 34.33985       3.615911  33.78446       3.593092  3.210022       29.80560 
1 1 1 13  2   17 o 618.7815 14.34745 80.03034       5.410597  89.07083       5.609097  -33.18036      28.82576 
1 1 1 13  2   18 o 526.6755 13.78923 58.69761       4.474088  63.69418       4.528754  -21.64734      27.69030 
1 1 1 13  2   19 o 483.0370 13.78720 48.80956       4.089873  54.34409       4.165032  -26.13058      27.71874 
1 1 1 13  2   20 o 135.6746 30.56292 5.305440       2.617338  3.530192       2.415360  24.77276       55.87548 
1 1 1 13  2   21 o 308.8739 15.41348 22.25666       3.127791  20.43598       2.789054  12.47977       31.26212 
1 1 1 13  2   22 o 132.0233 31.02331 2.271429       2.486422  6.203496       2.508517  -52.61094      54.11414 
1 1 1 13  2   23 f 176.4935 27.04634 6.686838       2.558249  8.648003       3.323340  -19.02863      56.23223 
1 1 1 13  2   24 o 393.6166 14.55434 34.88898       3.646472  34.61831       3.456342  0.6214294      29.54143 
1 1 1 13  2   25 o 81.99380 32.73119 -1.499681      2.961123  2.650578       2.218383  -26.78788      52.17022 
1 1 1 13  2   26 f 79.48739 31.89267 2.317193       2.658993  0.2455121      2.198674  23.90084       52.65455 
1 1 1 13  2   27 o 214.2142 21.62377 12.19618       3.008883  9.905667       2.686628  21.50888       46.19487 
1 1 1 13  2   28 o 109.9083 34.83946 2.081587       2.866665  4.277676       2.500116  -23.28127      57.13064 
1 1 1 13  3   0  f 567.3097 16.47851 71.31625       5.789908  70.60928       5.795841  2.859924       33.08285 
1 1 1 13  3   1  o 819.7676 16.98993 146.3323       8.574157  149.9501       8.706773  -9.962830      34.11650 
1 1 1 13  3   2  o 319.2040 19.58841 19.19950       3.737824  26.46290       3.994995  -52.01257      39.83633 
1 1 1 13  3   3  o 152.6370 35.80552 8.347603       3.440835  2.893463       3.231610  64.35410       62.34243 
1 1 1 13  3   4  o 276.3075 21.47310 16.93449       3.673956  17.11034       3.629650  -1.601746      43.75158 
1 1 1 13  3   5  o 476.8719 16.03888 48.46482       4.745954  52.03201       4.729622  -17.18878      32.27572 
1 1 1 13  3   6  o 213.6103 35.03017 13.71495       4.575038  7.677112       4.392503  61.80338       69.22943 
1 1 1 13  3   7  o 369.8019 24.69839 34.44357       5.721939  26.99816       5.548520  46.37927       50.54564 
1 1 1 13  3   8  o 517.2918 22.05828 59.51796       4.993561  0.000000       0.000000  ?              ?        
1 1 1 13  3   9  o 408.0061 22.56962 36.26303       5.683393  37.85748       5.696617  -9.008453      45.69745 
1 1 1 13  3   10 o 95.71908 40.20860 0.1838303      4.053417  0.6634686      4.028606  -2.987946      67.07044 
1 1 1 13  3   11 o 481.3746 29.58092 51.85726       6.215751  0.000000       0.000000  ?              ?        
1 1 1 13  3   12 o 187.2193 25.62360 8.237872       2.931617  7.607563       2.865172  7.643311       52.41561 
1 1 1 13  3   13 o 584.3978 14.21315 71.61295       5.029919  79.08930       5.284432  -29.00385      28.53692 
1 1 1 13  3   14 o 526.3271 14.12111 59.73327       4.562912  62.36697       4.650863  -11.35883      28.33177 
1 1 1 13  3   15 o 409.6876 14.60247 41.80568       3.844981  32.88200       3.579458  49.46555       29.37821 
1 1 1 13  3   16 o 742.9883 14.85389 123.4179       6.947975  120.1501       6.748431  9.808289       29.83615 
1 1 1 13  3   17 o 318.9804 16.11113 24.59299       3.324656  20.77347       3.048456  26.98331       32.48598 
1 1 1 13  3   18 o 522.0544 13.85665 57.06944       4.460856  63.17629       4.506258  -26.72388      27.83735 
1 1 1 13  3   19 o 133.3948 41.25048 4.121398       2.658195  0.000000       0.000000  ?              ?        
1 1 1 13  3   20 o 214.4764 19.90735 11.32233       2.735811  9.484752       2.514785  19.20898       40.91837 
1 1 1 13  3   21 o 374.8963 13.86787 32.62395       3.347060  29.90615       3.105489  16.01782       27.95589 
1 1 1 13  3   22 o 483.3828 13.22115 51.22391       4.013160  52.45787       3.910190  -6.167908      26.64873 
1 1 1 13  3   23 o 59.55881 27.25224 0.1988503E-01  2.254575  -1.783021      2.266318  12.52910       46.47808 
1 1 1 13  3   24 o 296.3719 17.51365 19.19559       2.854840  21.08840       3.728055  -9.284546      36.84975 
1 1 1 13  3   25 o 124.3461 30.70854 3.343271       2.694669  4.247838       2.117300  -12.60272      55.13224 
1 1 1 13  3   26 o 400.3167 15.15979 41.16402       4.674299  34.05687       3.229710  29.58908       32.29419 
1 1 1 13  3   27 o 122.2851 31.26759 4.012535       2.544730  3.867031       2.244964  0.9824371      55.69669 
1 1 1 13  3   28 o 100.0372 33.01298 1.546681       2.600312  3.471682       2.204359  -20.04550      53.80502 
1 1 1 13  4   0  o 604.4935 16.35984 82.76297       6.129583  78.34970       6.128357  16.71301       32.84879 
1 1 1 13  4   1  o 119.7168 39.25892 0.2780526      3.278977  6.260439       3.457939  -62.65353      62.95502 
1 1 1 13  4   2  o 276.4364 21.74489 19.50283       3.796871  14.74320       3.607952  39.64366       44.51170 
1 1 1 13  4   3  o 107.7983 38.53580 1.562700       3.325034  2.931155       3.198969  -11.91299      63.64808 
1 1 1 13  4   4  o 261.9202 31.72794 0.000000       0.000000  15.58772       3.570900  ?              ?        
1 1 1 13  4   5  o 586.9115 15.60952 77.62131       5.748926  74.54572       5.609568  11.81018       31.35204 
1 1 1 13  4   6  o 139.5482 44.77457 5.316919       4.434949  3.588125       4.347383  16.25539       74.93398 
1 1 1 13  4   7  o 157.5060 43.10971 8.361520       4.314565  3.375420       4.353611  48.88448       73.17657 
1 1 1 13  4   8  o 327.7603 25.95408 24.16101       5.070133  24.04231       5.414513  1.899384       53.23832 
1 1 1 13  4   9  o 321.1501 25.42743 25.54761       5.302349  21.11919       4.785751  30.63794       51.96414 
1 1 1 13  4   10 o 547.8849 20.75681 71.41104       7.269346  62.25097       6.834257  37.63818       41.82441 
1 1 1 13  4   11 o 580.0444 17.05561 75.05980       7.477889  73.88081       5.319597  1.820374       36.25179 
1 1 1 13  4   12 o 81.21014 33.67498 1.135327       2.754699  -0.3426051     2.807537  11.86416       56.06837 
1 1 1 13  4   13 o 440.0447 14.43803 42.66771       3.974560  42.67008       3.898144  -0.9375000E-01 28.99120 
1 1 1 13  4   14 o 518.0524 14.45890 67.64043       4.813501  51.73595       4.487522  69.75616       29.07731 
1 1 1 13  4   15 o 581.9812 14.02644 72.20182       5.016550  77.06360       5.112321  -19.01141      28.17148 
1 1 1 13  4   16 o 167.8360 26.63253 8.365991       2.726685  4.620810       2.636158  49.40010       52.87474 
1 1 1 13  4   17 o 334.5381 15.22593 23.08435       3.131863  26.44687       3.171340  -23.04449      30.71669 
1 1 1 13  4   18 o 209.1687 22.17296 10.50007       2.893709  9.185030       2.776362  14.41429       45.71178 
1 1 1 13  4   19 o 289.6718 17.82085 20.07259       3.274949  17.34188       3.105251  21.38135       36.08203 
1 1 1 13  4   20 o 430.3644 13.67424 41.29502       3.720336  40.61151       3.575754  3.371582       27.50760 
1 1 1 13  4   21 o 462.8332 13.01219 47.86770       3.806578  46.95466       3.661938  4.206329       26.17846 
1 1 1 13  4   22 o 126.5534 29.32032 1.508067       2.283109  6.053360       2.230955  -62.88067      50.02106 
1 1 1 13  4   23 o 133.4790 28.70826 3.680793       2.352409  4.876525       2.262996  -17.42258      53.44382 
1 1 1 13  4   24 o 94.58499 31.59086 2.551565       2.124385  1.610710       2.231330  10.67395       52.28827 
1 1 1 13  4   25 o 181.6172 19.92668 8.343437       2.223384  6.960474       2.193196  17.99080       41.99504 
1 1 1 13  4   26 o 239.0686 16.51279 14.16611       2.691902  12.31813       2.238040  14.10275       34.31660 
1 1 1 13  4   27 o 101.5404 30.20936 3.627026       2.226057  1.943679       1.899002  23.48058       51.37239 
1 1 1 13  4   28 o 100.7643 31.42600 6.220809       2.380116  0.1518182      2.017805  76.27396       48.76676 
1 1 1 13  5   0  o 652.0229 16.54658 91.16425       6.585764  96.46278       6.793213  -18.37891      33.20888 
1 1 1 13  5   1  o 340.4408 19.64151 22.33721       3.985950  29.51548       4.291638  -48.02716      39.77113 
1 1 1 13  5   2  o 388.7587 17.93652 32.77438       4.253845  34.05068       4.376418  -7.376801      36.11528 
1 1 1 13  5   3  o 298.6438 20.73063 20.57418       3.818436  19.03993       3.814793  11.91010       42.07470 
1 1 1 13  5   4  o 789.2546 16.51572 141.5693       8.162144  133.3328       8.011842  23.70935       33.17741 
1 1 1 13  5   5  o 256.5703 21.92963 13.75134       3.363962  15.75076       3.557770  -17.66866      44.82478 
1 1 1 13  5   6  f 110.4215 37.84229 2.061343       3.108209  3.080776       3.138292  -10.78860      62.81382 
1 1 1 13  5   7  o 116.6411 44.12845 3.958911       4.433998  0.8820677      4.320787  25.09657       72.55134 
1 1 1 13  5   8  o 252.2172 31.01098 16.04233       4.746163  12.91054       4.753497  29.38567       64.50481 
1 1 1 13  5   9  f 158.2951 37.41302 5.477063       3.155849  6.687710       4.359547  -16.14771      69.10724 
1 1 1 13  5   10 o 541.6610 20.90665 69.00144       7.253663  61.59504       6.792109  30.60394       42.13294 
1 1 1 13  5   11 o 155.6589 41.27145 3.821569       4.158427  7.372161       3.948415  -35.87306      71.24609 
1 1 1 13  5   12 f 407.9317 15.36442 35.37560       3.868512  38.05424       3.893599  -15.02780      30.89123 
1 1 1 13  5   13 o 432.8722 15.05244 40.72439       4.099725  41.85860       3.974631  -6.146698      30.26348 
1 1 1 13  5   14 o 227.1949 31.17238 11.72564       3.024673  0.000000       0.000000  ?              ?        
1 1 1 13  5   15 o 153.3671 29.50811 4.969854       2.717673  5.861729       2.693304  -12.08846      56.53856 
1 1 1 13  5   16 o 1125.598 18.77600 282.6653       13.19847  277.8371       13.02329  9.564575       37.71235 
1 1 1 13  5   17 o 265.9304 17.55441 16.96363       2.965071  14.57954       2.801149  20.34644       35.57597 
1 1 1 13  5   18 o 151.8245 29.94005 4.175675       2.718446  6.504647       2.720571  -31.26140      56.53441 
1 1 1 13  5   19 o 507.2079 13.74926 55.74701       4.367747  57.71442       4.277586  -9.009064      27.62676 
1 1 1 13  5   20 o 215.4781 19.88702 10.67102       2.770615  10.19412       2.505767  4.174744       40.97797 
1 1 1 13  5   21 o 294.1765 15.08965 17.68964       2.835308  20.57667       2.661741  -23.21884      30.82203 
1 1 1 13  5   22 o 318.4174 14.00416 22.69656       2.869013  22.40223       2.661369  1.468201       28.34893 
1 1 1 13  5   23 o 110.4624 30.39346 2.895692       2.245250  3.009336       2.061985  -0.8461685     52.82670 
1 1 1 13  5   24 o 177.4383 20.39605 7.290284       2.309211  7.260715       2.112302  -1.332886      42.93627 
1 1 1 13  5   25 o 105.9701 29.53241 2.354882       1.982639  3.258422       2.045890  -13.09565      50.97818 
1 1 1 13  5   26 o 137.3323 25.90169 3.913942       2.253164  5.204113       2.017633  -21.12544      50.47981 
1 1 1 13  5   27 o 70.76199 29.14120 1.151987       2.504810  0.4500376      1.794527  15.06731       48.77898 
1 1 1 13  5   28 o 219.0784 15.78141 11.69188       2.200237  10.50439       2.066642  11.36531       32.71613 
1 1 1 13  5   29 o 122.9501 27.58965 4.321265       2.032251  3.539791       2.073131  12.01875       51.14280 
1 1 1 13  6   0  o 297.0571 21.87638 19.92699       3.998998  19.31482       4.006809  4.807190       44.45034 
1 1 1 13  6   1  o 115.6114 39.63328 1.996261       3.390864  3.589202       3.461898  -16.39182      65.74781 
1 1 1 13  6   2  o 302.0434 20.75970 19.87974       3.885933  20.59333       3.846293  -5.550781      42.08547 
1 1 1 13  6   3  o 759.1107 16.51921 123.2882       7.664083  130.8751       7.898758  -22.62854      33.17125 
1 1 1 13  6   4  o 485.1661 16.31916 54.54804       4.962914  49.44268       4.847911  23.97430       32.79818 
1 1 1 13  6   5  o 287.3945 20.84082 16.90540       3.725722  19.77362       3.655657  -23.39056      42.58161 
1 1 1 13  6   6  o 290.1227 20.09402 20.51849       3.653192  17.01212       3.537515  27.77176       40.86879 
1 1 1 13  6   7  o 142.3580 45.54977 8.230382       4.538611  0.9453865      4.553775  64.11244       73.50573 
1 1 1 13  6   8  o 132.1123 45.20805 7.954326       4.454393  -0.4643684     4.459339  71.19611       71.63380 
1 1 1 13  6   9  o 296.5064 28.26843 19.82001       5.132480  19.76622       5.140600  0.4547119      58.25179 
1 1 1 13  6   10 o 474.4537 21.35590 49.54786       6.184382  50.36217       6.357646  -3.642700      43.09285 
1 1 1 13  6   11 o 162.7495 40.58202 5.229310       4.078557  7.226521       4.087054  -21.22264      72.06571 
1 1 1 13  6   12 o 249.9861 20.88342 15.14305       3.210325  12.67912       3.207405  23.03316       42.80642 
1 1 1 13  6   13 o 392.0984 15.78460 33.71320       3.874465  34.12277       3.789718  -2.503418      31.74778 
1 1 1 13  6   14 o 1046.887 25.65508 243.3265       11.78079  0.000000       0.000000  ?              ?        
1 1 1 13  6   15 o 1019.840 17.63449 233.9850       11.30572  225.3877       11.01222  18.93073       35.38406 
1 1 1 13  6   16 o 598.3170 13.96040 79.65240       5.238275  78.13972       5.126299  5.650513       28.04296 
1 1 1 13  6   17 o 172.0638 24.73619 6.991638       2.606481  6.481201       2.524334  6.579865       50.42461 
1 1 1 13  6   18 o 533.6755 13.69323 76.95296       4.932700  52.50050       4.211186  102.8457       27.50293 
1 1 1 13  6   19 o 223.1445 19.91360 12.09327       2.757175  10.19076       2.698820  19.80515       40.88402 
1 1 1 13  6   20 o 283.8349 15.79472 20.22695       2.859533  15.79512       2.688360  35.56238       31.99494 
1 1 1 13  6   21 o 309.2969 14.18790 24.72328       2.870674  18.37147       2.581989  46.31281       28.65011 
1 1 1 13  6   22 o 521.2057 12.57426 59.75768       4.118382  60.48057       4.014496  -3.446106      25.33166 
1 1 1 13  6   23 o 139.5425 24.90538 3.335245       2.145046  5.681427       2.014565  -36.15920      48.42760 
1 1 1 13  6   24 o 415.4199 11.90893 38.17639       3.144521  38.64384       2.992501  -3.221588      24.06742 
1 1 1 13  6   25 o 297.8743 13.28000 19.13634       2.506806  20.54822       2.392544  -11.58969      27.03017 
1 1 1 13  6   26 o 119.0159 25.83441 3.871142       1.831480  3.104029       1.874185  12.49275       48.16869 
1 1 1 13  6   27 o 129.6877 22.44428 5.272360       1.785330  2.993909       1.698430  37.21427       44.16532 
1 1 1 13  6   28 o 192.8582 15.63674 8.702498       1.808044  8.451395       1.905061  4.224701       32.65173 
1 1 1 13  6   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  7   0  o 562.4106 16.98380 65.91899       5.697877  74.39848       6.166760  -33.89752      34.12589 
1 1 1 13  7   1  o 1078.788 19.61998 256.9179       13.08443  256.9859       13.17520  -0.3857422E-01 39.41989 
1 1 1 13  7   2  o 601.9557 16.46925 85.27114       6.328753  75.07942       5.974414  38.34552       33.05736 
1 1 1 13  7   3  o 298.0609 21.09572 18.07306       3.784782  21.53456       3.972547  -26.54529      42.82984 
1 1 1 13  7   4  o 166.2148 39.26064 8.593848       4.844650  5.368083       3.461515  37.48845       72.31547 
1 1 1 13  7   5  o 426.4976 17.26385 39.48903       4.575412  40.85067       4.540737  -7.376404      34.73826 
1 1 1 13  7   6  o 464.6945 16.64758 43.26469       4.750561  52.24041       4.832636  -44.20877      33.57170 
1 1 1 13  7   7  o 118.4806 38.28431 3.574348       3.249602  2.648396       3.164322  10.59276       64.12696 
1 1 1 13  7   8  o 206.6723 37.34016 8.614512       4.558021  11.27029       4.665836  -27.35944      72.76091 
1 1 1 13  7   9  o 365.3961 24.89913 31.28764       5.593505  28.27599       5.626615  19.24567       50.70784 
1 1 1 13  7   10 o 645.7622 15.63076 93.13091       6.240575  90.66430       6.282367  8.793518       31.41077 
1 1 1 13  7   11 o 438.0991 22.06651 47.56373       6.208593  38.29484       5.770478  47.89215       44.59205 
1 1 1 13  7   12 o 402.8248 22.39315 37.07986       5.666733  35.03277       5.484897  11.40262       45.26520 
1 1 1 13  7   13 o 844.4639 23.06457 0.000000       0.000000  158.0291       8.535341  ?              ?        
1 1 1 13  7   14 o 451.7563 17.68392 45.73846       4.209072  43.65624       6.285806  13.72748       39.01644 
1 1 1 13  7   15 o 180.2959 27.77278 6.655710       2.989988  8.172031       3.023414  -18.99503      55.96964 
1 1 1 13  7   16 o 443.8915 14.50376 43.40701       3.983279  43.55895       3.993388  -0.7704163     29.13938 
1 1 1 13  7   17 o 572.6730 13.90923 73.96792       5.045395  70.78547       4.843069  12.44061       27.95736 
1 1 1 13  7   18 o 375.2163 15.16132 29.84339       3.549573  32.35069       3.494275  -15.44736      30.56032 
1 1 1 13  7   19 o 115.3265 34.33271 3.385447       2.676863  2.747426       2.601370  8.432953       58.44810 
1 1 1 13  7   20 o 466.2265 13.36674 46.19410       3.852137  49.83203       3.871542  -17.85043      26.87146 
1 1 1 13  7   21 o 332.2111 14.21918 23.36238       2.966338  25.50800       2.882419  -15.08517      28.74854 
1 1 1 13  7   22 o 201.1286 19.00023 8.856110       2.374949  9.394416       2.311255  -6.671799      39.29077 
1 1 1 13  7   23 o 194.3246 19.01620 8.034324       2.293137  9.091813       2.233966  -13.32224      39.62476 
1 1 1 13  7   24 o 168.1038 21.08029 7.531059       2.351609  5.864644       1.992711  20.25290       44.13690 
1 1 1 13  7   25 o 221.2529 15.13875 11.44161       2.130361  10.71577       2.005748  6.842087       30.99416 
1 1 1 13  7   26 o 149.8440 20.86355 5.270985       1.921276  5.326558       1.854064  -1.582352      43.52523 
1 1 1 13  7   27 o 80.79111 29.86329 1.245684       1.640939  2.114646       2.687434  -17.79876      50.79983 
1 1 1 13  7   28 o 162.5064 25.00370 6.569048       1.725236  0.000000       0.000000  ?              ?        
1 1 1 13  7   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  8   0  o 545.7203 17.15204 63.62617       5.742080  68.04931       5.857909  -18.41949      34.47930 
1 1 1 13  8   1  o 824.5981 17.52048 149.7857       8.953714  150.2241       8.970293  -1.197998      35.20122 
1 1 1 13  8   2  o 588.0206 16.71715 75.76034       6.102242  76.76025       6.080979  -3.917664      33.56668 
1 1 1 13  8   3  o 631.0486 16.54530 89.84351       6.566167  85.85426       6.380072  14.27625       33.20745 
1 1 1 13  8   4  o 509.4957 16.73176 54.71534       5.215693  59.92091       5.348640  -23.25787      33.61374 
1 1 1 13  8   5  o 415.9894 17.44117 38.31300       4.516917  38.11509       4.464843  1.025269       35.08789 
1 1 1 13  8   6  o 707.8610 16.27432 109.1430       7.118743  111.6954       7.173706  -8.195862      32.68732 
1 1 1 13  8   7  o 730.5040 16.30087 116.0980       7.331550  119.1725       7.443089  -9.512634      32.74054 
1 1 1 13  8   8  o 320.8468 19.34142 25.28120       3.893435  20.50633       3.772635  34.15417       39.22929 
1 1 1 13  8   9  o 590.0181 22.24566 74.44163       7.958604  80.16321       8.307288  -21.72455      44.82333 
1 1 1 13  8   10 o 754.1307 22.90990 124.6640       10.58180  127.5692       10.83238  -8.459778      46.13146 
1 1 1 13  8   11 o 308.5307 19.66493 20.90137       3.727777  21.32243       3.760522  -3.094696      39.79205 
1 1 1 13  8   12 o 100.4890 41.26464 -0.6086862     4.187376  2.221815       4.058072  -18.61277      68.38396 
1 1 1 13  8   13 o 124.9056 49.47301 0.000000       0.000000  2.141466       4.025625  ?              ?        
1 1 1 13  8   14 o 385.4149 16.22374 31.60785       3.813341  34.07641       3.929492  -14.53879      32.64068 
1 1 1 13  8   15 f 691.8550 14.94644 109.1183       6.499763  102.0615       6.332685  23.14160       30.01785 
1 1 1 13  8   16 o 367.3548 15.62161 32.40211       3.614949  27.43686       3.491641  30.83200       31.48822 
1 1 1 13  8   17 o 478.8305 14.19321 49.42573       4.178097  51.84495       4.244967  -11.47519      28.51452 
1 1 1 13  8   18 o 401.8684 15.05448 34.22630       3.707140  37.21288       3.786639  -16.92288      30.28821 
1 1 1 13  8   19 o 571.5017 14.15808 73.65643       5.152673  70.56754       4.895665  12.00793       28.47108 
1 1 1 13  8   20 o 459.4945 13.79478 45.64789       4.022875  47.57394       3.838653  -9.945374      27.79401 
1 1 1 13  8   21 o 492.5804 13.21251 51.28277       3.965739  56.23200       4.104944  -22.73303      26.56681 
1 1 1 13  8   22 o 189.6127 20.52302 6.732750       2.364511  9.626888       2.386643  -36.17178      43.21718 
1 1 1 13  8   23 o 70.16869 28.98642 1.181908       2.140396  -0.1533224     1.969492  15.86639       48.12778 
1 1 1 13  8   24 o 74.33657 29.69107 0.2419078      2.110442  1.372499       2.026544  -10.41817      48.67731 
1 1 1 13  8   25 f 290.3591 13.66628 19.73232       2.519103  18.19066       2.394820  11.59644       27.75036 
1 1 1 13  8   26 o 172.3764 19.68508 6.852961       2.056569  7.034896       2.078013  -2.300262      41.54951 
1 1 1 13  8   27 o 127.6589 24.66631 4.409851       1.766881  3.563818       2.024543  15.57808       47.93478 
1 1 1 13  8   28 f 42.87011 20.58316 -2.122711      1.623308  -0.7191760     1.554189  -7.666893      35.91645 
1 1 1 13  8   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  9   0  o 442.8898 18.47617 48.27189       5.168814  38.94561       4.966969  48.04404       37.31144 
1 1 1 13  9   1  o 520.8575 17.23987 60.95646       5.559273  58.93029       5.565744  8.931824       34.66630 
1 1 1 13  9   2  f 630.7709 16.93044 86.31899       6.558453  89.34912       6.680342  -10.85492      33.99951 
1 1 1 13  9   3  o 216.9756 28.04984 10.95226       3.681181  10.31581       3.693048  6.915909       57.72837 
1 1 1 13  9   4  o 212.7473 28.12230 9.256918       3.606223  11.21071       3.635026  -21.38097      57.81693 
1 1 1 13  9   5  o 472.2459 16.80612 50.19576       4.984746  48.26521       4.848870  9.212708       33.77124 
1 1 1 13  9   6  o 713.7836 16.45311 117.6652       7.488649  107.3792       7.097147  32.55865       33.04473 
1 1 1 13  9   7  o 327.1053 19.48081 23.26314       3.981599  24.12110       3.889903  -6.215790      39.39999 
1 1 1 13  9   8  o 324.4960 19.47054 28.54675       4.080521  18.94032       3.743667  67.55441       39.70473 
1 1 1 13  9   9  o 257.3726 22.20075 15.45850       3.633843  14.15389       3.397679  11.24550       45.34895 
1 1 1 13  9   10 o 204.2564 38.80879 10.93134       4.798540  8.504156       4.678769  24.75711       74.61710 
1 1 1 13  9   11 o 845.4592 23.95795 151.4958       12.25159  166.2789       12.87612  -39.17078      48.23827 
1 1 1 13  9   12 o 344.6744 18.14240 25.63393       3.836129  26.95746       3.895235  -8.749390      36.59166 
1 1 1 13  9   13 o 158.4050 51.19058 0.000000       0.000000  5.687262       4.053169  ?              ?        
1 1 1 13  9   14 o 464.5933 21.36128 44.99123       6.091236  50.88060       6.189503  -29.02499      43.15166 
1 1 1 13  9   15 o 449.1113 15.00905 46.48216       4.253486  42.69310       4.101736  19.11981       30.15985 
1 1 1 13  9   16 o 528.5858 14.61431 63.11263       4.845722  60.30639       4.730991  11.99377       29.35356 
1 1 1 13  9   17 o 384.7056 15.49051 35.22502       3.786991  30.49184       3.598447  27.89075       31.19221 
1 1 1 13  9   18 o 300.8619 25.35576 0.000000       0.000000  20.34146       3.315033  ?              ?        
1 1 1 13  9   19 o 357.1351 16.16436 27.99348       3.586985  28.48538       3.556693  -3.228180      32.58268 
1 1 1 13  9   20 o 297.1227 18.04302 18.04332       3.202037  21.51765       3.429360  -26.38217      36.58244 
1 1 1 13  9   21 o 327.8751 16.00673 26.41678       3.320827  21.62671       3.175514  33.26025       32.41499 
1 1 1 13  9   22 o 354.2067 14.57796 29.08783       3.326705  26.91012       3.080027  13.34698       29.46202 
1 1 1 13  9   23 o 76.42204 31.19709 -1.750009      2.397492  2.891974       2.283130  -41.73046      50.25555 
1 1 1 13  9   24 o 340.3143 14.09439 24.49033       2.862014  27.67583       3.088828  -20.44937      28.58035 
1 1 1 13  9   25 o 71.02969 29.94780 0.6621355      2.242991  0.1842389      2.266876  3.851059       49.39244 
1 1 1 13  9   26 o 106.7851 32.33296 3.737703       2.372535  2.231808       2.280691  19.04268       54.40542 
1 1 1 13  9   27 o 102.6636 33.79544 -3.289503      4.387362  4.004356       1.924639  -38.09037      52.78484 
1 1 1 13  9   28 o 129.8711 26.60616 6.079196       3.307598  3.870531       1.633511  15.48738       55.64394 
1 1 1 13  9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  10  0  o 136.2930 43.85596 2.842296       4.118923  5.613613       4.307589  -27.05734      73.18029 
1 1 1 13  10  1  o 629.7339 17.59426 90.17356       6.941637  85.23552       6.793235  17.75879       35.36385 
1 1 1 13  10  2  o 464.0390 18.34804 50.63098       5.352353  44.84058       5.193488  28.40390       36.95955 
1 1 1 13  10  3  o 193.5452 31.86266 4.888356       3.609446  12.64993       3.781420  -86.20848      61.58728 
1 1 1 13  10  4  o 504.4497 17.08916 55.17658       5.269958  57.23022       5.412559  -9.153595      34.34478 
1 1 1 13  10  5  o 132.0070 38.96006 1.455342       3.356430  6.696767       3.464713  -57.11642      64.02995 
1 1 1 13  10  6  o 555.9578 16.55870 65.76676       5.572205  70.81867       5.846193  -20.49414      33.25211 
1 1 1 13  10  7  o 673.1897 16.40774 106.2967       7.055562  94.11324       6.664667  40.97113       32.96305 
1 1 1 13  10  8  o 193.0476 29.38996 8.338373       3.385316  8.619554       3.432312  -3.211914      59.37901 
1 1 1 13  10  9  o 564.0466 16.37595 71.28861       5.746204  69.06454       5.701478  8.980286       32.88191 
1 1 1 13  10  10 f 254.2314 23.31203 15.76378       3.684901  13.16911       3.588107  23.68318       47.88674 
1 1 1 13  10  11 o 680.5041 32.46173 103.7901       9.661614  0.000000       0.000000  ?              ?        
1 1 1 13  10  12 o 593.7737 22.29574 77.99976       8.126213  78.36056       8.270911  -1.163147      44.93184 
1 1 1 13  10  13 f 158.2308 39.91889 7.391522       3.460817  3.202408       4.620519  37.80771       69.74264 
1 1 1 13  10  14 o 124.7555 44.87299 0.9967197      4.475610  5.111008       4.381915  -32.86943      73.39109 
1 1 1 13  10  15 o 208.8343 37.82746 7.497641       4.671563  12.98345       4.769883  -55.48375      72.94498 
1 1 1 13  10  16 o 273.6874 20.36621 18.22713       3.486719  15.28553       3.381438  24.72577       41.55835 
1 1 1 13  10  17 o 353.1097 17.29645 27.01834       3.788769  28.28151       3.765557  -8.294983      34.92400 
1 1 1 13  10  18 o 484.1982 16.01657 51.47443       4.831382  52.21034       4.777250  -3.579285      32.22033 
1 1 1 13  10  19 o 86.67056 36.56646 -3.207081      3.454001  3.492614       3.282951  -47.58123      59.83234 
1 1 1 13  10  20 o 568.4172 15.00290 73.29074       5.369562  69.88013       5.205100  13.42255       30.17780 
1 1 1 13  10  21 o 141.1492 32.41511 3.751094       2.804755  5.737350       2.752506  -25.81094      58.77159 
1 1 1 13  10  22 o 345.2201 15.74530 27.93834       3.355023  25.25261       3.370905  18.04468       31.92561 
1 1 1 13  10  23 f 262.1918 18.74083 16.83921       2.988892  14.23951       3.068611  23.80630       38.77403 
1 1 1 13  10  24 o 167.6537 28.24981 6.539753       2.869883  7.098037       2.798706  -7.973984      57.07125 
1 1 1 13  10  25 o 114.0710 33.94955 -0.4472960     2.704653  6.521884       2.471179  -77.29629      51.40907 
1 1 1 13  10  26 o 88.49332 33.10120 2.592905       2.575489  1.113137       2.336239  16.67626       54.02447 
1 1 1 13  10  27 o 183.3646 23.08048 6.192056       2.627184  9.989394       2.511247  -51.57549      50.03800 
1 1 1 13  10  28 o 58.90667 26.90266 -3.573049      3.416622  0.2718506      1.736374  1.444389       45.73291 
1 1 1 13  10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  10  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  11  0  o 583.5784 18.86972 75.98766       6.902903  74.70519       6.743818  4.806946       37.95968 
1 1 1 13  11  1  o 794.0585 18.84657 140.2826       9.323444  138.3774       9.243623  5.389160       37.91185 
1 1 1 13  11  2  o 125.8804 42.23510 3.360432       3.931191  3.525117       3.847487  -0.8704834     70.35278 
1 1 1 13  11  3  o 326.1368 22.50498 26.48766       4.660026  21.22474       4.401169  36.80713       45.81608 
1 1 1 13  11  4  o 310.8694 22.79322 21.84565       4.387677  21.24340       4.342400  4.398193       46.36386 
1 1 1 13  11  5  o 471.9567 18.24478 44.35702       5.231595  54.53343       5.437064  -49.18271      36.79868 
1 1 1 13  11  6  o 573.4526 17.24979 75.28925       6.208161  70.03859       6.053171  20.78394       34.65761 
1 1 1 13  11  7  o 192.8813 33.39140 6.226088       3.798513  11.01297       3.904921  -53.41389      64.94155 
1 1 1 13  11  8  o 457.0902 18.21105 46.35436       5.178543  46.00461       5.128365  1.687164       36.64373 
1 1 1 13  11  9  o 284.7065 23.65960 17.41353       4.250207  18.69062       4.039394  -11.03186      48.52602 
1 1 1 13  11  10 o 336.9985 21.13993 23.62872       4.419071  26.77627       4.375217  -21.72134      42.93311 
1 1 1 13  11  11 o 385.2028 22.18102 34.49928       4.648118  30.19081       6.260240  29.53635       48.29234 
1 1 1 13  11  12 o 312.0199 21.11076 21.47144       4.126827  21.81427       4.000102  -2.829346      42.85661 
1 1 1 13  11  13 o 279.0125 30.82914 17.65529       5.183278  17.62012       5.313009  0.7677917      63.94549 
1 1 1 13  11  14 o 609.8027 22.75774 80.28947       8.396975  85.38734       8.804592  -18.40588      45.93879 
1 1 1 13  11  15 o 76.71105 37.04745 -6.551727      5.516460  -4.786123      5.150073  -1.683746      65.60278 
1 1 1 13  11  16 o 252.8305 36.87052 17.23272       5.881882  12.86809       5.376999  37.73270       75.52227 
1 1 1 13  11  17 o 298.0475 21.31881 19.33387       3.893528  20.36022       3.937848  -7.887909      43.39837 
1 1 1 13  11  18 o 88.07128 36.80561 0.6247283      3.402421  0.3043789      3.317906  3.562965       61.30407 
1 1 1 13  11  19 o 378.6189 18.23733 35.42414       4.388410  28.65477       4.162011  40.63794       36.90525 
1 1 1 13  11  20 o 181.8680 28.72593 7.488146       3.157817  7.844477       3.109308  -4.626816      58.05718 
1 1 1 13  11  21 o 591.2297 15.12872 76.63338       5.377913  78.78425       5.726339  -7.397461      30.51796 
1 1 1 13  11  22 o 334.5688 17.84096 25.00982       3.616150  25.29689       3.767129  -1.308838      36.30708 
1 1 1 13  11  23 o 271.8305 19.34299 16.98109       3.191224  16.60222       3.291807  3.922211       39.81038 
1 1 1 13  11  24 o 147.4063 36.29137 5.430049       3.732831  5.814337       2.983516  -6.611313      65.56907 
1 1 1 13  11  25 o 99.30049 35.71696 4.396743       2.885293  0.5668941      2.731715  38.66982       57.63588 
1 1 1 13  11  26 o 248.8420 19.75509 16.06804       3.107326  13.05081       2.947820  27.20001       41.54015 
1 1 1 13  11  27 o 54.54499 25.71148 -0.4110852     2.345028  -1.981511      2.178750  11.71516       44.03936 
1 1 1 13  11  28 o 148.5019 23.14640 6.081247       2.197894  4.963699       1.949784  13.58472       48.10863 
1 1 1 13  11  29 o 107.7098 21.73005 2.059242       1.424621  3.713325       1.379942  -30.68616      40.78076 
1 1 1 13  11  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  12  0  o 423.4477 21.50092 41.17028       5.695431  38.66637       5.565293  13.36493       43.47699 
1 1 1 13  12  1  o 310.1874 25.80620 19.76320       4.919568  23.33818       4.921595  -27.02417      53.05556 
1 1 1 13  12  2  o 239.7906 32.08752 14.12105       4.642294  12.06695       4.664253  20.12749       66.16431 
1 1 1 13  12  3  o 409.4513 20.43123 39.75808       5.257002  34.82225       5.092817  27.46506       41.28661 
1 1 1 13  12  4  o 407.1537 20.02132 33.22942       4.891146  40.82563       5.205957  -42.31409      40.46333 
1 1 1 13  12  5  f 400.3775 19.75470 34.39109       4.817056  36.80623       4.968824  -13.60803      39.87609 
1 1 1 13  12  6  o 450.3703 18.37986 48.73168       5.219255  41.32125       5.033906  37.49133       37.05849 
1 1 1 13  12  7  o 382.4412 19.81167 34.60740       4.784133  30.43232       4.589946  24.79318       40.01094 
1 1 1 13  12  8  o 298.9611 22.75485 17.79532       4.093566  22.26937       4.289774  -34.34894      46.47717 
1 1 1 13  12  9  o 364.7999 20.57732 31.36205       4.847592  28.00325       4.452769  20.45206       41.61409 
1 1 1 13  12  10 o 834.2512 18.19581 148.6538       9.219948  159.2780       9.625951  -28.60840      36.58688 
1 1 1 13  12  11 o 387.3510 19.81693 31.87901       4.684486  34.76036       4.809636  -16.90906      40.01779 
1 1 1 13  12  12 o 334.6063 21.75105 20.03784       4.331428  30.61743       4.667933  -72.39764      44.68189 
1 1 1 13  12  13 o 449.7998 18.10099 41.85340       4.974529  47.93776       5.108594  -30.84784      36.49975 
1 1 1 13  12  14 o 220.7961 39.92243 13.65248       5.222186  9.203116       5.312447  43.12163       77.71581 
1 1 1 13  12  15 o 117.9483 46.45439 3.987983       4.798579  -0.1047141     5.215208  23.86092       76.02025 
1 1 1 13  12  16 o 203.3377 30.23451 8.421417       3.535287  10.81378       3.884877  -25.67522      61.49437 
1 1 1 13  12  17 o 358.7016 28.16443 28.18659       6.170943  29.91916       6.263370  -11.01569      57.80225 
1 1 1 13  12  18 o 503.1726 21.02855 54.89002       8.167416  57.08385       5.622010  -16.58810      46.14693 
1 1 1 13  12  19 f 176.6469 38.88189 6.389577       4.144528  8.567162       4.145282  -23.45944      71.79861 
1 1 1 13  12  20 o 192.3272 33.60399 7.551697       3.824556  9.994224       3.903173  -27.31625      66.40037 
1 1 1 13  12  21 f 472.4319 17.35386 47.74454       4.969454  52.18465       5.191989  -20.88928      35.10490 
1 1 1 13  12  22 o 115.5478 38.81234 3.527797       3.400709  2.887925       3.178265  7.664146       64.39328 
1 1 1 13  12  23 o 124.8885 38.67330 1.545867       3.267197  6.502823       3.339765  -51.27838      63.05088 
1 1 1 13  12  24 o 139.6006 36.06184 5.549444       3.171571  4.726191       3.118699  9.409210       63.81791 
1 1 1 13  12  25 o 147.7326 32.96857 4.059094       2.979787  7.155278       2.910591  -38.77936      60.09194 
1 1 1 13  12  26 o 179.7983 30.38922 10.31942       3.687550  6.983561       2.966366  30.84869       62.52411 
1 1 1 13  12  27 o 85.39329 33.62334 2.338522       2.581488  0.9741534      2.651017  11.33415       54.05128 
1 1 1 13  12  28 o 144.1351 29.52913 5.105427       2.561554  5.961239       2.541267  -11.90041      56.81597 
1 1 1 13  12  29 o 188.1385 17.06680 10.14854       2.118058  7.068590       1.849453  34.93134       36.37249 
1 1 1 13  12  30 o 167.9121 21.39916 0.000000       0.000000  7.068753       1.540325  ?              ?        
1 1 1 13  13  0  o 123.2961 43.15718 2.682145       4.059881  3.797966       4.082949  -9.956146      71.36614 
1 1 1 13  13  1  o 377.7096 22.02355 32.02613       5.149297  31.58305       5.126297  2.659882       44.64083 
1 1 1 13  13  2  o 617.6613 19.68983 81.30546       7.426630  87.90636       7.647175  -24.16394      39.63503 
1 1 1 13  13  3  o 170.2446 40.49652 10.49441       4.334758  3.555423       4.103027  72.30518       70.17822 
1 1 1 13  13  4  o 318.9491 24.60265 20.41201       4.752216  25.23828       4.911850  -34.88989      50.38439 
1 1 1 13  13  5  o 122.6364 41.57483 5.094632       3.694227  1.233616       3.846292  34.79979       68.05254 
1 1 1 13  13  6  o 131.4028 41.14389 5.354815       3.697602  2.480692       3.757384  28.32480       68.63372 
1 1 1 13  13  7  f 254.8321 25.71885 12.85137       3.892671  16.61370       4.138629  -33.94933      53.21490 
1 1 1 13  13  8  o 97.96530 38.59168 0.7081409      3.458458  1.941398       3.435805  -10.01291      63.75743 
1 1 1 13  13  9  o 88.11687 37.60775 2.975685       3.887560  -2.140964      3.417620  42.99370       63.40068 
1 1 1 13  13  10 o 287.5644 23.31117 16.80204       4.104219  20.22855       4.141375  -27.78766      47.86714 
1 1 1 13  13  11 o 200.0430 32.20659 6.841960       3.801838  11.75375       3.922769  -54.19357      63.98587 
1 1 1 13  13  12 o 105.0658 39.62349 2.656249       3.592694  1.258815       3.455267  13.71052       65.37474 
1 1 1 13  13  13 o 95.49458 38.43275 3.067649       3.511737  -0.8675990     3.471006  32.05301       63.19965 
1 1 1 13  13  14 o 207.1324 30.86424 11.41651       3.913004  8.429379       3.780034  32.54398       62.74121 
1 1 1 13  13  15 o 231.6462 30.37476 10.32411       4.114177  14.55644       4.421719  -41.49802      62.77808 
1 1 1 13  13  16 o 115.2726 46.84110 -0.6545055     5.263965  3.752408       5.220959  -27.51386      77.08929 
1 1 1 13  13  17 o 112.1742 46.40020 -0.3953756     5.077154  2.973335       5.467426  -24.47735      76.98682 
1 1 1 13  13  18 o 565.0810 33.85241 91.11249       11.99615  56.03754       11.63594  145.1469       71.88397 
1 1 1 13  13  19 o 463.0263 34.78984 48.14360       9.353765  51.64656       10.60194  -10.99915      72.82293 
1 1 1 13  13  20 o 148.3623 50.20702 5.652945       4.196205  3.619467       10.28921  -15.14301      89.96259 
1 1 1 13  13  21 o 161.6158 39.75858 5.586494       3.979018  7.468796       3.937507  -20.07523      71.13731 
1 1 1 13  13  22 o 187.5101 34.67353 8.071167       3.925050  9.225306       3.845343  -13.53812      68.29104 
1 1 1 13  13  23 o 180.0791 33.64660 6.923872       3.622879  9.263972       3.617891  -27.29883      65.91783 
1 1 1 13  13  24 f 138.2982 36.83790 5.846766       3.312888  4.487216       3.128486  14.78963       64.53107 
1 1 1 13  13  25 o 231.4708 25.54562 13.67016       3.752926  12.35154       3.476973  10.09126       55.17174 
1 1 1 13  13  26 o 122.8955 35.75960 4.325543       3.029187  4.127846       2.768007  1.606560       60.96184 
1 1 1 13  13  27 o 79.87926 33.26608 1.718139       2.794245  0.7008117      2.670544  8.605095       53.61344 
1 1 1 13  13  28 o 85.98679 34.46888 1.728525       2.877753  1.839581       2.721549  -0.4938507E-01 55.08887 
1 1 1 13  13  29 o 86.16061 31.57834 2.666728       2.336163  1.556509       2.096890  12.13138       50.99862 
1 1 1 13  13  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  14  0  o 226.5053 34.45782 17.35107       4.865452  7.374585       4.530658  96.74046       68.75488 
1 1 1 13  14  1  o 276.3529 29.21304 20.32175       5.129922  14.90523       4.755710  44.77501       60.96303 
1 1 1 13  14  2  o 417.1795 22.46761 38.03721       5.665230  39.73575       5.929461  -8.729828      45.54840 
1 1 1 13  14  3  o 137.4822 48.20840 4.273575       4.935587  3.730604       5.241449  2.038406       79.77052 
1 1 1 13  14  4  o 185.6250 39.57938 2.443170       4.275430  14.59492       4.576297  -120.2751      66.99931 
1 1 1 13  14  5  o 151.8352 44.23355 4.903373       4.335828  5.942686       4.507719  -10.81345      75.68790 
1 1 1 13  14  6  o 285.7729 27.29012 17.08288       4.656925  19.83460       4.911334  -21.84198      56.25689 
1 1 1 13  14  7  o 121.6331 43.43735 5.424682       4.131439  0.5473660      4.151040  41.38477       70.66158 
1 1 1 13  14  8  o 107.4138 42.04678 3.403563       4.033576  -0.2634910E-01 4.106906  25.63839       69.01786 
1 1 1 13  14  9  o 363.5697 21.94206 26.47231       4.918346  32.49405       4.932799  -38.40646      44.77194 
1 1 1 13  14  10 o 381.0918 22.26778 30.03700       5.265871  34.71845       5.216773  -28.62396      45.33733 
1 1 1 13  14  11 o 309.9804 25.25132 27.25601       4.936913  16.46415       4.698871  81.09177       53.27915 
1 1 1 13  14  12 o 289.9973 27.41415 14.39023       4.753382  24.12325       5.002198  -78.50983      58.18591 
1 1 1 13  14  13 o 352.3680 23.75756 30.38725       5.266766  25.43023       5.064385  32.12543       48.46573 
1 1 1 13  14  14 o 90.54842 40.43190 -0.9982029     4.767651  -1.113576      4.501801  3.852936       68.47513 
1 1 1 13  14  15 o 151.2242 54.61624 4.866856       4.644064  0.000000       0.000000  ?              ?        
1 1 1 13  14  16 o 220.5909 36.43050 10.33834       4.638747  12.54438       5.004394  -21.07848      72.96612 
1 1 1 13  14  17 o 185.3297 63.23475 8.366057       6.164963  0.000000       0.000000  ?              ?        
1 1 1 13  14  18 o 92.38524 41.21662 -0.1083492     4.754997  -1.752031      4.845480  7.633247       69.42893 
1 1 1 13  14  19 o 205.2978 39.53593 10.41833       4.501882  9.940741       5.299689  7.557861       77.05852 
1 1 1 13  14  20 o 111.7122 53.09452 1.918429       9.859378  -13.71261      10.16654  38.39896       90.53818 
1 1 1 13  14  21 o 138.6345 61.68493 8.300592       10.36004  -5.593041      11.02326  40.18271       99.35962 
1 1 1 13  14  22 o 183.7535 38.66480 5.740799       4.184015  11.75206       4.356103  -61.70444      71.22580 
1 1 1 13  14  23 f 111.2330 41.74998 3.103869       3.905158  2.846432       3.894780  2.046616       67.66652 
1 1 1 13  14  24 o 82.70921 36.47559 5.664380       3.675246  -4.996557      3.630270  65.57336       59.80564 
1 1 1 13  14  25 o 128.3381 39.46443 5.687479       3.420909  3.605498       3.472799  20.42831       65.70876 
1 1 1 13  14  26 o 90.23869 35.84431 0.5204396      3.193242  2.972049       2.832259  -16.89810      57.19323 
1 1 1 13  14  27 o 77.69266 33.21234 -1.245919      2.955281  2.849987       2.735917  -26.39269      53.19106 
1 1 1 13  14  28 o 83.00871 34.18213 0.9966561      2.818890  2.202135       2.857969  -9.053413      54.47469 
1 1 1 13  14  29 o 63.52957 28.52141 -0.8119584     2.451560  0.8492294      2.237793  -8.672409      46.37979 
1 1 1 13  14  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  15  0  o 78.78924 37.31186 -4.409849      4.958996  -2.650255      4.760766  -4.779602      64.61493 
1 1 1 13  15  1  o 237.3204 38.51006 10.60268       5.133463  17.10624       5.895492  -57.26753      77.33520 
1 1 1 13  15  2  o 167.5558 46.77528 6.379635       5.033051  7.368124       5.060084  -9.032761      80.86855 
1 1 1 13  15  3  o 271.8441 32.53448 20.44142       5.309911  13.35081       5.447694  62.72191       69.07272 
1 1 1 13  15  4  o 202.0554 42.95625 10.94944       5.228780  8.571989       5.207550  22.95428       80.27302 
1 1 1 13  15  5  o 400.7189 39.76554 0.000000       0.000000  37.01292       6.897420  ?              ?        
1 1 1 13  15  6  f 355.1165 27.26980 30.31793       5.884611  26.22579       6.040841  27.49643       56.13537 
1 1 1 13  15  7  o 196.5519 45.11537 9.823811       5.235121  8.541130       5.546537  11.86008       82.50273 
1 1 1 13  15  8  o 479.3445 23.08525 50.64344       6.713265  51.75922       6.983022  -4.773590      46.71112 
1 1 1 13  15  9  o 780.3115 20.72972 131.8504       9.836505  138.6486       10.22518  -19.28003      41.75040 
1 1 1 13  15  10 o 468.2635 25.25976 54.55600       7.406588  43.81354       7.217349  52.68787       51.47368 
1 1 1 13  15  11 o 494.6297 24.17354 56.22314       7.297523  52.97922       7.495825  15.67685       49.05794 
1 1 1 13  15  12 o 450.1057 25.47374 47.90366       7.021438  42.76502       7.147216  26.87659       51.92453 
1 1 1 13  15  13 o 776.7330 21.11518 138.8558       10.10236  129.2392       10.22750  28.73590       42.61489 
1 1 1 13  15  14 o 273.6031 35.52293 17.19466       5.807355  17.36603       5.969632  -0.7578430     73.90068 
1 1 1 13  15  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  15  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  15  17 o 99.21463 42.81334 0.9201879      4.748220  -0.7358081     4.858119  8.388611       71.31607 
1 1 1 13  15  18 o 75.91822 35.97058 -6.981176      4.396174  0.7520699      4.665792  -37.28162      63.63359 
1 1 1 13  15  19 o 219.7329 40.51719 10.51687       5.276690  13.22329       5.362897  -25.67781      79.63457 
1 1 1 13  15  20 o 109.7980 45.57093 6.029191       4.968702  -3.303418      5.239913  52.88703       73.45920 
1 1 1 13  15  21 o 133.0213 51.96024 4.148235       4.387004  0.000000       0.000000  ?              ?        
1 1 1 13  15  22 o 126.3156 57.50445 4.327272       9.765268  -2.146269      10.04107  17.17953       91.88438 
1 1 1 13  15  23 o 82.29212 38.62822 -6.349895      9.890507  -1.200823      3.786813  25.65639       69.37888 
1 1 1 13  15  24 o 114.1497 42.62109 6.502028       4.196880  0.9179617      3.923775  42.48679       68.16726 
1 1 1 13  15  25 o 94.30591 38.79239 2.468000       3.720650  1.361633       3.583804  8.077774       62.20284 
1 1 1 13  15  26 o 119.8462 45.39540 5.572036       3.530104  -0.8158259E-01 8.814327  18.39811       71.07642 
1 1 1 13  15  27 o 79.41113 34.80262 -0.1418278     3.543680  1.691702       3.063924  -7.355591      55.59231 
1 1 1 13  15  28 o 86.17953 35.08680 -1.114056      3.072628  4.639967       2.837666  -40.32515      54.72324 
1 1 1 13  15  29 o 97.37725 34.00536 2.861648       2.721899  3.057435       2.368472  -2.349968      54.61119 
1 1 1 13  16  0  o 175.3311 48.82899 10.03570       5.459863  5.913899       5.554318  34.89273       83.59677 
1 1 1 13  16  1  o 214.7381 43.67895 13.14432       5.688614  9.838903       5.553832  30.22641       83.17139 
1 1 1 13  16  2  o 122.5350 48.42640 4.409810       5.277609  0.4887266      5.626325  22.10366       78.91434 
1 1 1 13  16  3  o 293.6894 35.95638 23.95911       6.307701  16.15705       6.526103  64.85611       76.76891 
1 1 1 13  16  4  o 187.2824 64.07375 0.000000       0.000000  8.746098       6.330503  ?              ?        
1 1 1 13  16  5  o 87.13285 41.24054 -5.058606      5.754119  -3.529547      6.096886  -9.474991      71.74622 
1 1 1 13  16  6  o 232.5160 45.71348 12.29924       6.072459  13.87840       6.688782  -12.45071      88.09367 
1 1 1 13  16  7  o 86.33170 43.15637 0.000000       0.000000  -17.13303      6.783471  ?              ?        
1 1 1 13  16  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  16  9  f 272.2008 63.64793 0.000000       0.000000  18.69809       7.462737  ?              ?        
1 1 1 13  16  10 o 355.8093 32.18053 32.70398       6.912384  24.60843       7.145504  55.17438       68.05180 
1 1 1 13  16  11 o 563.1074 25.25509 66.16930       8.451745  76.63531       9.193673  -40.92114      51.18613 
1 1 1 13  16  12 o 633.6583 24.10301 84.90018       9.063874  95.48038       9.905993  -36.30481      48.79032 
1 1 1 13  16  13 o 115.2617 54.70309 0.000000       0.000000  -7.320169      7.460138  ?              ?        
1 1 1 13  16  14 o 673.0343 52.75153 109.3131       15.44869  0.000000       0.000000  ?              ?        
1 1 1 13  16  15 o 101.6010 47.74231 -3.378340      5.923996  -10.91626      13.53532  -39.38589      88.82609 
1 1 1 13  16  16 o 123.8841 49.61092 4.072692       5.558385  0.4168111      6.046200  18.14445       81.03956 
1 1 1 13  16  17 o 363.6266 29.50142 29.10726       6.302127  32.02038       6.938451  -15.35477      61.37879 
1 1 1 13  16  18 o 190.4441 48.86637 10.23066       5.455163  8.225549       6.222346  17.85660       86.46032 
1 1 1 13  16  19 o 116.0802 47.35533 3.928843       5.094665  -0.6834104E-01 5.727273  18.75014       76.84050 
1 1 1 13  16  20 o 135.0064 48.71462 3.228631       4.958160  6.264007       5.536727  -23.58163      79.53383 
1 1 1 13  16  21 o 405.2488 29.17361 37.55624       7.161220  40.84791       7.414808  -17.02478      61.77385 
1 1 1 13  16  22 o 94.85287 41.81628 1.726560       4.939937  -0.5563692     4.664795  13.38858       68.37732 
1 1 1 13  16  23 o 102.9590 46.18366 3.459351       4.603086  -16.43551      12.59522  10.34436       74.19331 
1 1 1 13  16  24 o 107.7536 52.12927 -0.9568647     11.22989  -2.954948      10.15902  6.112442       82.46970 
1 1 1 13  16  25 o 103.8418 41.11332 2.750769       3.965585  3.161655       3.895715  -2.514534      65.17619 
1 1 1 13  16  26 o 105.8037 40.50418 1.936252       3.791805  4.891384       3.641274  -20.51585      63.63988 
1 1 1 13  16  27 o 115.0645 39.97183 2.362187       3.604872  6.134777       3.383418  -30.92462      63.07813 
1 1 1 13  16  28 o 80.18876 34.67895 -0.3340529     3.387563  2.825085       2.980210  -16.37872      54.40996 
1 1 1 13  16  29 o 51.42892 25.21140 -3.472635      2.858799  -1.548923      2.620238  -4.429260      42.71899 
1 1 1 13  17  0  o 162.9351 69.20712 10.02198       11.68449  2.438467       12.76805  21.39706       108.6348 
1 1 1 13  17  1  o 147.5874 65.61308 8.891714       11.49938  -5.247516      12.69605  36.03488       104.9338 
1 1 1 13  17  2  o 93.98991 43.88649 -3.893403      6.146796  -2.065055      6.495990  -9.962852      74.68559 
1 1 1 13  17  3  o 285.1805 39.75424 20.46465       6.688636  18.71783       7.005927  16.88828       83.89237 
1 1 1 13  17  4  o 199.4044 52.06826 11.35187       6.291690  8.939913       6.750707  19.68327       91.55575 
1 1 1 13  17  5  o 164.6521 53.98061 9.281834       6.182245  3.824885       6.558036  37.61882       88.63444 
1 1 1 13  17  6  o 340.0405 33.66408 27.18917       6.690179  26.24929       7.375446  10.59506       71.26105 
1 1 1 13  17  7  o 126.4565 51.57032 2.346170       5.980886  1.892915       6.875255  -4.329697      84.92177 
1 1 1 13  17  8  o 142.2054 58.56670 2.746444       5.892692  0.000000       0.000000  ?              ?        
1 1 1 13  17  9  o 228.1729 45.52054 14.19501       5.877692  10.65695       6.622821  32.91577       86.95379 
1 1 1 13  17  10 o 168.9545 53.56955 4.338497       6.020778  10.14256       6.621119  -45.63750      89.24648 
1 1 1 13  17  11 o 183.0348 53.05303 8.155080       6.132438  8.570295       6.641488  -4.307114      90.93584 
1 1 1 13  17  12 o 144.3718 53.30230 4.479695       6.089941  4.338688       6.548113  -1.827240      87.46872 
1 1 1 13  17  13 o 98.16879 44.72250 -0.6923376     5.800181  -3.385803      6.225702  7.356514       75.69167 
1 1 1 13  17  14 o 272.9349 57.72183 0.000000       0.000000  19.19856       6.694133  ?              ?        
1 1 1 13  17  15 o 164.6177 57.93544 8.247995       5.745171  -0.4173998     12.13779  14.62473       96.83640 
1 1 1 13  17  16 o 118.3203 49.03025 1.992159       5.555055  1.493049       6.292299  -2.860184      80.51040 
1 1 1 13  17  17 f 111.1086 47.45100 8.554817       5.627427  -7.518855      5.957629  82.31895       76.07503 
1 1 1 13  17  18 o 146.1880 51.58285 8.042442       5.610331  2.362729       6.065044  36.95055       83.19332 
1 1 1 13  17  19 o 169.1814 49.98065 3.720212       5.257734  13.27882       6.040512  -75.86313      82.77773 
1 1 1 13  17  20 o 137.4416 50.15275 5.268035       5.348442  4.737521       5.792797  2.268784       81.08797 
1 1 1 13  17  21 o 114.4142 47.69361 2.353460       5.347904  2.887018       5.938078  -5.550140      76.61828 
1 1 1 13  17  22 o 85.60004 40.32933 -0.1370737     5.388815  -3.764908      5.706171  10.09151       66.64789 
1 1 1 13  17  23 o 86.27432 40.66262 -1.683472      5.268020  -1.592923      6.109922  -5.639473      66.95647 
1 1 1 13  17  24 o 134.6290 50.52381 10.42451       5.649578  2.000847       5.774271  47.32790       78.27804 
1 1 1 13  17  25 o 76.50258 37.65674 -4.590194      4.452264  0.000000       0.000000  ?              ?        
1 1 1 13  17  26 o 99.07035 47.92801 6.796884       8.514426  -5.209678      9.592976  18.27621       72.85706 
1 1 1 13  17  27 o 122.5081 42.99131 8.507010       3.993856  2.283813       4.091515  44.57432       66.68302 
1 1 1 13  17  28 o 114.5247 39.78613 5.053909       3.643641  4.614023       3.295626  1.474335       62.69246 
1 1 1 13  17  29 o 65.10757 30.44116 -0.5576387     3.184896  0.1076709      2.939087  -1.319168      48.82339 
1 1 1 13  18  0  o 144.2975 57.44486 2.394580       7.255595  8.841924       8.269261  -33.94907      92.35464 
1 1 1 13  18  1  o 170.6278 58.53861 9.998560       7.829740  6.989348       7.162699  18.36105       95.41349 
1 1 1 13  18  2  o 119.3500 57.63802 -16.61793      12.44539  4.026260       13.37193  -42.96335      97.49145 
1 1 1 13  18  3  o 155.7991 69.02208 8.168053       12.68425  -1.872256      13.83601  23.73921       109.7195 
1 1 1 13  18  4  o 104.0918 46.90137 4.064841       6.218703  -6.529104      6.566137  42.03393       78.16390 
1 1 1 13  18  5  o 270.6409 41.73618 16.18573       6.586451  19.97078       6.995745  -29.06975      86.47161 
1 1 1 13  18  6  o 129.4580 51.75930 2.242403       5.964027  3.882911       6.672612  -13.82735      84.67449 
1 1 1 13  18  7  o 103.0329 46.25762 -1.283320      5.914362  -0.7480818     6.413413  -6.875153      77.56241 
1 1 1 13  18  8  f 108.5223 47.31707 0.7546084      5.819329  -0.6458115     6.179230  3.701508       78.52831 
1 1 1 13  18  9  o 260.5523 40.43634 14.08646       6.192495  18.75849       6.463889  -39.30704      82.85111 
1 1 1 13  18  10 o 122.3382 49.74820 2.574108       5.980465  1.775711       5.857963  5.543839       81.56670 
1 1 1 13  18  11 o 153.9872 52.47647 6.252428       6.092397  5.273776       5.919342  7.733063       86.65039 
1 1 1 13  18  12 o 146.2937 59.60961 0.000000       0.000000  3.724481       6.022814  ?              ?        
1 1 1 13  18  13 o 175.7436 53.05829 8.104537       6.216169  7.829205       6.321212  1.945358       89.76479 
1 1 1 13  18  14 o 218.8433 62.41270 0.000000       0.000000  13.23222       6.283608  ?              ?        
1 1 1 13  18  15 f 186.9682 51.69736 11.93836       5.967417  6.012002       6.454851  46.86780       87.85120 
1 1 1 13  18  16 o 335.6775 32.72124 28.34908       6.745960  25.00998       6.708355  23.88678       69.79595 
1 1 1 13  18  17 o 130.9086 50.11457 6.275091       5.716233  1.582022       5.656007  29.76620       80.95437 
1 1 1 13  18  18 o 111.0213 50.75090 0.000000       0.000000  -0.8379750     5.525580  ?              ?        
1 1 1 13  18  19 o 83.13747 39.34313 0.5444770      5.427333  -6.311553      5.337611  25.96471       67.22262 
1 1 1 13  18  20 o 85.10146 40.18885 1.608752       5.434019  -7.111226      5.698260  28.64580       67.85956 
1 1 1 13  18  21 o 86.12463 40.58260 1.363780       5.447845  -5.559443      5.797010  20.99761       67.28978 
1 1 1 13  18  22 o 149.5560 50.75800 3.363726       5.429466  12.04184       5.824257  -56.32213      80.76072 
1 1 1 13  18  23 o 148.2458 50.16612 7.189623       5.246772  7.782377       5.761213  -2.118622      80.42145 
1 1 1 13  18  24 o 140.9012 49.61200 5.831793       5.078925  9.093310       5.755750  -17.12881      78.26124 
1 1 1 13  18  25 o 110.1883 47.79394 3.963739       5.648788  5.078010       6.541819  -4.117142      72.49049 
1 1 1 13  18  26 o 94.07965 42.86600 -2.044768      5.201847  7.777504       5.895748  -34.53734      67.50527 
1 1 1 13  18  27 o 114.6109 48.51762 4.843505       4.702213  13.75551       9.479053  -11.14942      72.79300 
1 1 1 13  18  28 o 72.85147 36.40985 -4.059928      7.326312  -3.727092      6.392355  2.137512       57.55547 
1 1 1 13  18  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  19  0  o 171.4761 64.57304 9.844555       6.608582  0.000000       0.000000  ?              ?        
1 1 1 13  19  1  o 149.4509 57.23933 7.223444       6.715875  4.778214       8.404588  9.002335       91.10458 
1 1 1 13  19  2  o 124.0252 53.70427 3.110176       7.277343  0.7530280      7.988256  6.053314       86.55420 
1 1 1 13  19  3  o 97.59129 45.50439 3.771130       6.538963  -9.314804      6.982995  42.05120       76.58332 
1 1 1 13  19  4  o 164.3856 71.97974 6.462178       13.40900  7.662927       14.66120  -4.769043      111.9242 
1 1 1 13  19  5  o 157.1362 69.81045 8.711331       12.93207  -1.386002      14.43398  22.13980       110.1753 
1 1 1 13  19  6  o 104.4284 46.42059 -0.7603595     6.016355  0.2951099      6.046762  -4.993233      76.84420 
1 1 1 13  19  7  o 137.6631 51.93605 6.556386       6.127333  2.256483       5.979633  27.58578       84.18872 
1 1 1 13  19  8  o 104.6292 46.59227 -3.218719      5.984989  2.653566       6.229741  -28.58556      77.63966 
1 1 1 13  19  9  o 116.2280 49.43108 3.869086       6.454972  -0.8787944     6.031619  26.98839       81.26503 
1 1 1 13  19  10 o 213.4921 49.95834 21.40069       6.670066  3.302055       6.338933  141.2796       81.69118 
1 1 1 13  19  11 o 141.4317 52.46479 -0.5947773     5.855165  11.04833       6.430995  -77.87124      83.83144 
1 1 1 13  19  12 o 203.9446 50.80620 9.402719       6.454023  12.50588       6.354308  -25.71207      90.66271 
1 1 1 13  19  13 o 134.6448 52.71371 -1.107927      6.380185  8.887551       6.414649  -57.75846      84.40855 
1 1 1 13  19  14 o 242.0432 50.02111 14.46094       8.014803  16.16647       6.687870  -21.81595      96.01758 
1 1 1 13  19  15 o 218.9183 49.98297 13.72666       6.561765  11.96657       6.716881  15.30907       92.38298 
1 1 1 13  19  16 o 177.5167 53.78881 11.55881       6.482973  6.390744       6.385297  37.29247       89.70826 
1 1 1 13  19  17 o 99.88035 45.13748 -0.6172901     5.876396  -0.3251889     6.058071  -2.539001      74.39458 
1 1 1 13  19  18 o 121.5895 49.42401 1.724526       5.691893  4.946863       5.997341  -18.70553      79.38705 
1 1 1 13  19  19 o 142.5151 52.93027 5.756618       6.136095  6.447289       6.339825  -4.145676      84.30663 
1 1 1 13  19  20 o 154.3376 53.41451 6.102795       6.118799  9.960121       6.342187  -22.88928      85.21548 
1 1 1 13  19  21 o 76.00748 37.09380 -8.211904      5.627547  -0.6719241     5.817627  -21.48724      63.35794 
1 1 1 13  19  22 o 100.6801 44.68377 2.310719       5.604335  0.9155598      5.529376  6.020874       70.89721 
1 1 1 13  19  23 o 92.16893 42.09834 3.747974       5.249637  -2.463373      5.483060  21.93601       67.06419 
1 1 1 13  19  24 f 82.77500 39.06372 2.793283       5.036505  -4.396227      5.465892  20.44685       62.75204 
1 1 1 13  19  25 o 95.31004 42.94883 1.200033       5.186224  4.157732       5.543632  -10.87067      65.94272 
1 1 1 13  19  26 o 66.46083 32.76565 -5.661041      4.773838  -1.257648      4.889317  -11.04694      54.22020 
1 1 1 13  19  27 o 73.08191 35.88813 1.840198       5.569888  -5.468003      5.652380  14.47955       57.01110 
1 1 1 13  19  28 o 73.15820 35.92648 -1.335061      5.574849  -0.8109391     5.674008  -1.253395      55.79789 
1 1 1 13  20  0  o 120.0935 52.42559 3.939297       6.676497  0.3389891      8.348060  7.178726       83.25398 
1 1 1 13  20  1  o 125.5119 53.37417 7.797627       6.556971  -3.507619      8.267296  38.78700       83.60589 
1 1 1 13  20  2  o 114.5322 50.31937 1.228310       6.425904  1.953787       7.473190  -7.944069      81.26623 
1 1 1 13  20  3  o 190.3120 57.84616 10.76365       7.347309  11.47069       7.521358  -4.041138      96.53052 
1 1 1 13  20  4  o 146.8857 56.38324 0.8272532      7.047740  11.40483       7.384974  -56.90856      89.63142 
1 1 1 13  20  5  o 105.7601 47.35621 3.319259       6.225311  -3.503529      6.585281  25.45364       77.47920 
1 1 1 13  20  6  o 196.5323 78.70750 12.77353       14.02996  18.44114       15.16909  -15.04482      119.6339 
1 1 1 13  20  7  o 166.7565 72.57296 4.665510       13.82767  11.50690       14.25899  -17.92981      112.3163 
1 1 1 13  20  8  o 108.2308 47.57306 -0.4660868     6.265783  1.495121       6.069924  -7.440178      77.89290 
1 1 1 13  20  9  o 109.3565 47.88556 2.215276       6.175479  -0.9345713     6.211718  14.08838       78.43739 
1 1 1 13  20  10 o 199.4161 51.52326 9.450508       6.266313  12.52094       6.582813  -23.42940      91.08054 
1 1 1 13  20  11 o 130.2825 50.98264 3.908671       5.898687  3.671658       6.068545  0.5842896      82.36945 
1 1 1 13  20  12 o 125.2814 50.90260 3.444086       6.227661  2.750832       6.153108  4.099686       82.20686 
1 1 1 13  20  13 o 136.5522 52.13249 3.777738       6.059108  5.473853       6.228380  -10.67097      84.05326 
1 1 1 13  20  14 f 222.6035 54.16077 11.48685       8.046047  16.04327       6.898747  -39.81407      96.68906 
1 1 1 13  20  15 o 96.78216 44.41269 -5.277227      5.896793  3.426944       6.241818  -36.99866      74.49047 
1 1 1 13  20  16 o 184.1029 53.35027 8.738884       6.297466  11.51499       6.601347  -19.16679      90.53588 
1 1 1 13  20  17 o 132.2362 51.95252 3.605129       6.109591  6.034475       6.363010  -13.61732      82.61742 
1 1 1 13  20  18 o 109.1876 47.71517 4.703707       5.995765  -1.073673      6.257191  23.26729       76.08729 
1 1 1 13  20  19 o 85.28408 40.69678 -3.732001      5.919943  -1.305396      6.088570  -8.269691      67.32865 
1 1 1 13  20  20 o 133.9515 51.24123 5.574820       5.902555  6.277726       5.981177  -3.775360      80.25694 
1 1 1 13  20  21 o 82.57674 39.56194 -1.063659      5.627243  -4.059856      5.978351  6.465118       65.08349 
1 1 1 13  20  22 o 130.1782 50.98207 7.584795       5.979181  5.193156       5.992075  11.62409       78.17522 
1 1 1 13  20  23 o 76.20644 37.36105 -3.609528      5.585289  -3.609470      6.531274  -4.678543      61.19241 
1 1 1 13  20  24 o 90.50449 41.97892 3.857172       5.281511  -1.524984      6.053484  14.23553       64.80254 
1 1 1 13  20  25 o 89.54218 41.72079 -0.6018271     5.999687  3.383451       5.368186  -10.11314      64.06860 
1 1 1 13  20  26 o 78.21438 37.37163 3.646528       5.026753  -3.317158      5.169129  18.05192       58.48011 
1 1 1 13  20  27 o 107.9188 44.33269 3.674406       4.832412  7.644947       4.689175  -17.73437      65.10814 
1 1 1 13  20  28 o 67.00501 34.07570 -6.891686      5.404207  0.000000       0.000000  ?              ?        
1 1 1 13  21  0  o 141.6127 54.55600 3.280865       6.521321  10.17626       7.044319  -35.13186      85.86239 
1 1 1 13  21  1  o 118.8937 50.71350 7.328513       6.476574  -1.772219      6.717936  38.90076       80.51543 
1 1 1 13  21  2  o 123.4016 50.91054 -0.7638454E-01 6.173498  8.088842       6.459436  -40.47067      80.86477 
1 1 1 13  21  3  o 108.6584 48.03662 4.765738       6.336025  -2.240520      6.408271  28.35243       77.43176 
1 1 1 13  21  4  o 119.9432 50.58711 3.597045       6.316119  2.258154       6.565312  5.157684       80.65398 
1 1 1 13  21  5  o 113.9737 49.60464 6.193885       6.597745  -2.545540      6.521750  38.03941       80.07857 
1 1 1 13  21  6  o 119.3982 52.07820 -0.1740657     7.059618  4.464356       7.485563  -20.44646      83.85990 
1 1 1 13  21  7  o 116.7319 51.56103 6.374745       7.295911  -3.539927      7.356167  38.07858       83.32738 
1 1 1 13  21  8  o 142.3589 65.22556 9.640470       12.66508  -2.944740      13.37591  26.13150       101.6352 
1 1 1 13  21  9  o 127.7736 59.69114 0.3796366E-01  11.31506  0.6889558      12.13798  -3.653748      94.66763 
1 1 1 13  21  10 o 130.1209 52.15885 6.233753       6.313035  2.172470       6.496929  20.34556       82.94209 
1 1 1 13  21  11 o 137.5353 52.83010 -1.336589      5.847513  14.49771       6.964468  -94.13627      84.01321 
1 1 1 13  21  12 o 97.23984 44.80879 -1.768614      5.956100  -0.2072582     6.616782  -10.06998      73.99706 
1 1 1 13  21  13 o 82.46563 39.97750 -4.720963      6.139696  -5.349128      6.580661  -1.695618      68.01569 
1 1 1 13  21  14 o 142.9899 55.08159 7.104333       6.878677  5.214988       6.918087  9.648315       86.99545 
1 1 1 13  21  15 o 101.3090 46.46743 3.508796       6.637666  -3.881116      6.612209  25.91178       75.72323 
1 1 1 13  21  16 o 87.09204 42.34000 -6.225895      6.815946  -3.064364      7.793494  -13.09985      71.08914 
1 1 1 13  21  17 o 150.4702 56.99267 7.083488       7.276196  9.135947       7.333527  -9.731979      88.51485 
1 1 1 13  21  18 o 172.8547 57.62417 4.580678       7.113510  17.64238       7.374175  -72.22295      90.26937 
1 1 1 13  21  19 o 139.6629 55.44760 3.892325       7.165466  10.30849       7.168403  -28.22707      85.28081 
1 1 1 13  21  20 f 99.77310 46.29110 2.348006       6.910738  -0.8641815     6.793192  9.791985       73.14822 
1 1 1 13  21  21 o 120.1275 51.16055 5.016267       6.563429  5.798601       6.829382  -2.840683      77.53658 
1 1 1 13  21  22 o 93.31730 44.00916 -6.735849      6.094597  11.65154       7.330928  -53.56425      72.77830 
1 1 1 13  21  23 o 137.6512 52.19398 7.215837       5.924377  11.00129       6.359430  -14.52558      77.66563 
1 1 1 13  21  24 o 89.47219 41.77999 3.264387       5.701852  0.1044925E-01  5.746817  9.064262       64.12094 
1 1 1 13  21  25 o 75.20611 36.42404 1.017097       5.045595  -2.945535      5.455451  8.025154       57.26225 
1 1 1 13  21  26 f 103.1892 44.77061 7.347008       5.308448  3.764392       5.308895  12.32833       65.10785 
1 1 1 13  21  27 o 102.2007 44.24744 6.832519       5.200901  5.234514       5.125837  5.089348       63.28597 
1 1 1 13  22  0  o 77.89490 38.21954 -4.110017      6.259614  -7.226213      6.385131  6.504608       64.73556 
1 1 1 13  22  1  o 106.8085 47.67479 1.478891       6.215598  1.572516       6.667744  -2.180069      75.90701 
1 1 1 13  22  2  o 108.5241 48.32944 5.235234       6.499657  -2.081196      6.639097  27.11301       77.10642 
1 1 1 13  22  3  o 112.0442 49.11239 1.536203       6.425967  2.700810       6.638638  -5.499413      78.15563 
1 1 1 13  22  4  o 95.15066 44.39806 0.2539479      6.272469  -2.634224      6.631083  7.266617       72.36622 
1 1 1 13  22  5  o 160.0482 54.67731 10.11165       6.363589  6.500372       6.686158  22.49931       87.39787 
1 1 1 13  22  6  o 120.3797 50.58318 5.155277       6.286667  1.457605       6.516114  16.07330       80.05617 
1 1 1 13  22  7  f 96.59520 44.93528 -0.6030170     6.195055  -1.983580      6.906631  0.2959824      73.59467 
1 1 1 13  22  8  o 119.0193 51.76408 5.918777       6.877785  -1.250721      7.417506  26.05605       82.11227 
1 1 1 13  22  9  o 133.0922 54.99432 5.368432       7.330455  4.085097       7.431184  5.328735       86.56046 
1 1 1 13  22  10 o 127.2342 60.96686 -6.114096      13.06278  5.680178       14.61561  -22.22440      96.52210 
1 1 1 13  22  11 o 130.3414 61.91193 -5.771452      12.77814  9.565829       14.53029  -29.25517      97.64674 
1 1 1 13  22  12 o 124.4497 52.76873 2.610959       6.739039  5.099474       7.446193  -12.23922      83.43154 
1 1 1 13  22  13 o 104.2117 48.52717 -1.472338      7.539483  0.2683757      7.737065  -5.936737      78.32521 
1 1 1 13  22  14 o 118.4397 53.94885 4.606735       8.249150  -1.200123      9.303877  13.35223       84.67247 
1 1 1 13  22  15 o 94.58546 45.56540 -3.929107      7.803721  -2.945549      8.067908  -3.532928      74.60660 
1 1 1 13  22  16 o 113.7815 52.02874 3.882331       8.203139  -0.1256166     8.239321  11.28339       81.65933 
1 1 1 13  22  17 o 107.8542 50.38623 0.5700843      8.231616  0.9219003      8.453962  -1.506233      79.23786 
1 1 1 13  22  18 o 151.0173 60.36134 12.84818       8.465049  7.107457       8.637467  21.20360       90.28774 
1 1 1 13  22  19 o 136.4996 58.32844 0.9841116      8.286491  18.29148       9.303640  -51.20648      88.26073 
1 1 1 13  22  20 o 83.93615 41.88362 -7.875731      9.182264  -5.390290      8.567178  -1.390388      67.57441 
1 1 1 13  22  21 o 115.7973 52.23479 2.461797       7.388575  11.28292       8.652188  -21.18925      77.72504 
1 1 1 13  22  22 o 80.92296 39.89698 -1.586880      6.995084  -3.711618      7.346176  2.575874       62.88025 
1 1 1 13  22  23 o 126.9491 53.87684 13.37504       7.292070  5.425488       7.465572  23.99419       77.04086 
1 1 1 13  22  24 o 89.69813 43.49044 6.360204       8.606002  -0.4326104     6.764421  12.00392       65.33349 
1 1 1 13  22  25 f 90.28597 42.86148 2.115503       6.323249  5.313213       6.661463  -6.477684      62.83387 
1 1 1 13  22  26 o 74.11526 36.61134 -1.168809      5.783782  0.3284609      6.557972  -3.655121      55.87663 
1 1 1 13  23  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  23  2  o 104.9791 47.90395 3.419028       7.408742  -0.7094011     6.520603  16.52409       76.48129 
1 1 1 13  23  3  o 142.5791 56.76874 10.70016       7.590661  4.364619       7.477521  26.78803       87.21631 
1 1 1 13  23  4  o 120.6342 51.21420 7.232342       6.524839  0.4371333      6.825251  27.50484       79.92142 
1 1 1 13  23  5  o 158.5348 65.27116 0.000000       0.000000  10.71528       7.315991  ?              ?        
1 1 1 13  23  6  o 98.00150 45.34819 -0.1245928     6.223555  -0.1609330     6.838984  -2.757004      72.97495 
1 1 1 13  23  7  o 149.7819 56.42888 8.538782       6.829765  7.554255       7.494228  5.836563       87.57219 
1 1 1 13  23  8  o 117.8731 54.97366 1.742136       6.972485  0.000000       0.000000  ?              ?        
1 1 1 13  23  9  o 112.3929 51.04412 3.074114       8.090715  0.7093886      7.436457  9.181396       80.56630 
1 1 1 13  23  10 o 116.6759 53.89967 1.996278       8.988805  1.753102       9.299397  -0.1088104     84.16122 
1 1 1 13  23  11 o 120.1703 55.64828 8.655081       9.539021  -4.504366      10.14922  29.70637       86.72884 
1 1 1 13  23  12 o 144.4572 66.80221 9.403542       9.965090  0.000000       0.000000  ?              ?        
1 1 1 13  23  13 o 115.1487 58.44626 -13.80417      15.36087  0.000000       0.000000  ?              ?        
1 1 1 13  23  14 o 103.9759 51.79942 0.000000       0.000000  -7.287574      9.417939  ?              ?        
1 1 1 13  23  15 o 122.6465 55.63410 12.03933       9.297439  -2.269522      9.036806  37.18220       85.66595 
1 1 1 13  23  16 o 94.81869 46.31454 -3.402287      9.001100  -3.108191      8.946604  -0.3440628     73.87214 
1 1 1 13  23  17 o 104.4942 49.65084 4.352711       8.772672  -2.031250      8.710964  13.28463       76.83719 
1 1 1 13  23  18 o 103.3000 49.86576 -3.910048      10.29195  4.757565       9.061805  -12.49381      76.24484 
1 1 1 13  23  19 o 80.77533 40.67455 -2.898051      10.10290  -12.79046      8.699280  15.31213       66.45750 
1 1 1 13  23  20 o 94.67467 45.99301 0.4231113      8.228141  1.401299       8.846018  -2.371429      69.83210 
1 1 1 13  23  21 o 86.61412 42.68513 -2.973436      7.914149  0.7425171      8.456197  -6.449448      65.85122 
1 1 1 13  23  22 o 117.5047 52.92137 5.752819       7.972958  11.86586       8.274241  -13.05668      75.21021 
1 1 1 13  23  23 o 75.80421 38.20560 3.410642       9.494206  -9.536017      7.505623  16.91950       60.49924 
1 1 1 13  23  24 o 84.53319 41.35175 -2.391692      7.037750  6.718564       7.443024  -14.25360      61.81753 
1 1 1 13  23  25 o 76.41122 38.06355 -0.9207259     6.921994  0.4621972      7.480336  -2.337029      57.22570 
1 1 1 13  23  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  24  3  o 105.9348 48.67450 -4.061922      7.154077  7.719921       7.482749  -36.23634      77.48437 
1 1 1 13  24  4  o 86.91134 42.21244 -2.659220      7.342657  -4.577094      7.003039  5.947861       69.16683 
1 1 1 13  24  5  o 110.4777 50.62403 5.405004       7.741136  -0.9697883     7.937813  17.37850       78.77788 
1 1 1 13  24  6  o 103.5526 48.22750 0.6650615      7.343354  1.046763       7.768216  -2.259331      75.81216 
1 1 1 13  24  7  o 108.3233 50.43702 -3.212268      7.986221  6.138622       8.533352  -25.55778      79.83584 
1 1 1 13  24  8  o 90.65837 44.72821 -6.996461      8.816393  -4.972993      9.321992  -5.284317      73.05406 
1 1 1 13  24  9  o 117.5049 55.11053 12.99010       10.06485  -6.873605      10.22294  40.89476       85.55515 
1 1 1 13  24  10 o 85.46152 43.06052 -5.326254      10.18794  -19.48434      10.92158  13.27232       71.28724 
1 1 1 13  24  11 o 108.7575 52.47354 0.7457864      10.57689  0.8085441E-01  10.65915  0.9506683      80.76116 
1 1 1 13  24  12 o 116.6301 55.50376 2.757978       10.70617  4.036477       11.34088  -2.662552      83.67090 
1 1 1 13  24  13 o 113.5977 54.49905 8.966771       11.33960  -3.160770      10.84007  19.81199       82.96529 
1 1 1 13  24  14 o 109.4550 53.03829 4.802091       11.45812  -1.374920      10.85314  9.614998       80.54984 
1 1 1 13  24  15 o 110.5087 55.18159 13.73665       15.88553  -11.15647      15.13020  20.49331       83.00439 
1 1 1 13  24  16 o 121.6777 60.48456 17.26730       17.32048  4.196737       18.22599  9.258881       85.54135 
1 1 1 13  24  17 o 99.63050 48.68193 -0.1075910     10.81237  1.641207       9.249393  -0.7489548     73.58901 
1 1 1 13  24  18 o 112.1887 53.16370 5.687865       10.94739  7.233647       9.092007  -3.304726      76.85400 
1 1 1 13  24  19 o 99.89636 48.54135 5.259634       8.831512  -0.3516289     10.36285  7.116501       71.96639 
1 1 1 13  24  20 o 108.1108 50.68793 2.783578       8.501097  9.691617       8.637169  -12.88749      73.58295 
1 1 1 13  24  21 o 87.12685 43.06226 3.978381       8.441070  -3.767486      8.617369  9.927544       65.07559 
1 1 1 13  24  22 o 85.61360 42.34116 -4.736842      8.302000  7.705525       8.281065  -15.63536      63.30869 
1 1 1 13  24  23 o 88.24687 43.01307 8.667069       7.582926  -1.846569      7.664693  15.55649       63.13287 
1 1 1 13  24  24 o 69.24979 35.04409 -3.892139      7.328976  -4.529480      7.547836  0.2369843      54.11816 
1 1 1 13  25  5  o 93.48483 45.18876 -8.939221      7.801604  5.765265       8.138473  -32.10072      73.49825 
1 1 1 13  25  6  f 106.3690 50.43917 0.6820230      8.854346  2.213341       9.011866  -3.408783      77.65343 
1 1 1 13  25  7  o 128.6799 58.59382 8.831414       10.10021  6.113571       10.48283  5.928734       86.16512 
1 1 1 13  25  8  o 100.4473 49.18557 0.8847700      10.13957  -4.158281      10.48547  6.677765       76.33343 
1 1 1 13  25  9  o 102.8071 50.52441 9.204990       11.34407  -11.02173      11.04089  27.36297       79.06927 
1 1 1 13  25  10 o 99.76208 49.19940 0.6137590      10.86739  -6.076249      10.97635  8.534698       76.62926 
1 1 1 13  25  11 o 110.3174 53.34700 3.681294       10.95808  0.1853438      11.30672  4.799965       80.59567 
1 1 1 13  25  12 o 125.6435 57.63584 9.975716       11.13489  5.759816       9.461020  7.392372       84.53464 
1 1 1 13  25  13 o 84.11068 41.95418 2.279127       8.959674  -14.89628      8.746229  25.01095       69.13799 
1 1 1 13  25  14 o 86.96965 43.25299 0.3395753      9.340096  -9.990184      8.924300  15.28300       69.35627 
1 1 1 13  25  15 o 115.2758 55.49664 9.740726       12.03500  3.897123       11.43262  7.519402       80.49824 
1 1 1 13  25  16 o 93.17197 46.65861 4.026021       11.73601  -10.44982      11.17424  14.92931       72.16669 
1 1 1 13  25  17 o 97.25979 48.53825 -3.934319      9.634020  12.47569       17.36516  -16.07094      73.89498 
1 1 1 13  25  18 o 99.63697 51.31733 0.2087086      16.76244  0.000000       0.000000  ?              ?        
1 1 1 13  25  19 o 81.38079 41.31944 -6.928746      14.09049  -5.757349      9.225986  4.995163       63.58863 
1 1 1 13  25  20 o 103.1391 49.03169 6.616341       8.516945  8.641041       8.576289  -3.078033      68.93973 
1 1 1 13  25  21 o 82.82523 41.30191 -3.532574      8.668836  3.750157       8.442460  -7.899887      61.76485 
1 1 1 13  25  22 o 85.04797 42.07423 -6.490250      8.312094  11.65674       8.111262  -21.97684      62.51858 
1 1 1 13  25  23 o 87.80932 43.02774 4.371219       7.785250  6.618610       8.086040  -2.576103      60.86605 
1 1 1 13  26  8  o 95.30473 47.43864 -0.7794576     10.99787  -6.243165      11.14719  5.872116       73.47211 
1 1 1 13  26  9  o 138.3187 61.59820 4.587613       11.49228  18.67096       10.00236  -31.18576      87.03690 
1 1 1 13  26  10 o 111.2462 52.35745 7.374393       9.396326  2.226523       9.196945  9.745270       77.68987 
1 1 1 13  26  11 o 83.03629 41.59711 -14.79302      8.896678  2.715862       9.389671  -23.29314      67.84534 
1 1 1 13  26  12 o 105.5273 51.06732 -2.738033      10.85378  9.009706       9.726084  -16.20907      75.72088 
1 1 1 13  26  13 o 94.70908 46.79958 6.199266       10.99954  -4.730788      9.314945  14.96861       71.50337 
1 1 1 13  26  14 o 106.7962 51.42567 11.40607       11.54250  2.432445       9.059695  11.31972       74.89374 
1 1 1 13  26  15 f 84.02477 42.32930 1.271263       11.63328  -8.771354      9.129464  12.98302       66.12247 
1 1 1 13  26  16 o 104.5995 50.64935 11.11412       9.361640  0.6136283      11.08778  14.07375       72.50732 
1 1 1 13  26  17 o 87.44176 44.16246 8.749835       11.54028  -12.54564      11.38071  16.59828       66.93335 
1 1 1 13  26  18 o 96.92396 48.56925 1.819965       11.51991  12.20057       13.77539  -6.880775      69.29036 
1 1 1 13  26  19 o 89.06901 45.69960 1.047055       11.83693  0.000000       0.000000  ?              ?        
1 1 1 13  26  20 o 87.29228 44.70208 -1.937755      15.63043  9.103939       14.87919  -4.263840      63.81762 
1 1 1 13  26  21 o 89.27126 45.98232 0.000000       0.000000  14.53414       13.49626  ?              ?        
1 1 1 13  27  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 13  27  12 o 91.03256 45.59563 -0.4680269     11.37028  -2.640072      10.57843  2.815521       68.84458 
1 1 1 13  27  13 o 108.4689 52.21211 18.23051       12.11296  2.064890       9.208223  17.69641       75.01464 
1 1 1 13  27  14 o 87.02419 43.49295 -0.3563870     9.459664  -2.064924      10.00179  1.197914       65.62469 
1 1 1 13  27  15 o 85.36810 44.00056 0.000000       0.000000  -12.08423      12.64447  ?              ?        
1 1 1 13  27  16 o 84.73797 43.34833 -4.739240      9.880722  0.000000       0.000000  ?              ?        
1 1 1 13  27  17 o 100.9608 50.14650 6.765059       10.02588  22.48236       16.46051  -4.773064      69.21541 
1 1 1 13  27  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  -20 0  o 90.02172 40.40623 1.675652       4.599008  3.605030       4.783198  -7.352715      61.47377 
1 1 1 14  -20 1  o 83.52873 38.51888 1.520756       4.456438  1.197961       4.844473  0.1442795      59.50390 
1 1 1 14  -20 2  o 73.87312 35.32788 -0.4297172     4.495152  -0.9622395     4.660083  0.8487930      56.15555 
1 1 1 14  -20 3  o 70.52224 34.09074 -5.194918      4.517946  2.127593       4.550857  -21.26194      55.77776 
1 1 1 14  -20 4  o 91.29489 43.67907 5.539304       7.145994  -2.222264      6.883865  16.54070       66.82459 
1 1 1 14  -19 0  o 81.92008 38.26676 5.519690       4.621455  -5.303090      5.020983  34.88631       61.02453 
1 1 1 14  -19 1  o 82.13703 38.02048 -0.6851210     4.469192  2.205540       4.703183  -11.23503      59.95422 
1 1 1 14  -19 2  o 89.48772 39.97905 3.832872       4.481109  -0.9110866E-01 4.584896  15.94509       62.15847 
1 1 1 14  -19 3  o 102.7274 42.93369 1.346863       4.427255  6.319634       4.731180  -24.63562      66.24011 
1 1 1 14  -19 4  o 68.90730 33.42646 -4.179206      4.294096  -0.3151847     4.640668  -13.66242      55.44769 
1 1 1 14  -19 5  o 91.28177 40.35733 0.2982780      4.360251  3.778834       4.650051  -16.20267      63.28530 
1 1 1 14  -19 6  o 104.0354 43.65965 1.747701       4.677420  5.737059       4.841238  -19.22677      67.23763 
1 1 1 14  -19 7  o 95.87473 42.20885 0.3641507      4.858659  4.605618       4.884043  -17.86287      65.51968 
1 1 1 14  -18 0  o 95.99611 41.53202 2.023389       4.336767  3.098354       4.780172  -5.974648      64.65514 
1 1 1 14  -18 1  f 79.98401 37.02358 -2.257174      3.966015  3.363105       4.857128  -27.03655      60.89354 
1 1 1 14  -18 2  o 90.14272 39.99318 3.515734       4.259414  -0.9720227     4.680968  18.38269       63.01633 
1 1 1 14  -18 3  o 87.72392 39.31440 -1.583956      4.228858  4.167347       4.639146  -27.94631      63.31594 
1 1 1 14  -18 4  o 77.16886 36.33626 0.5378402      4.390961  -2.703555      4.588099  10.47633       59.26427 
1 1 1 14  -18 5  o 95.03226 41.48364 6.657782       4.528445  -3.049023      4.710049  45.60155       65.59252 
1 1 1 14  -18 6  o 109.0384 43.74688 4.922803       4.369153  2.724416       4.661938  12.15578       67.85542 
1 1 1 14  -18 7  o 80.05820 37.43872 -1.236785      4.516394  0.3166943      4.739890  -6.915367      60.49179 
1 1 1 14  -18 8  o 97.84649 42.41161 -0.9123049     4.748224  5.669365       4.760993  -30.87040      66.68320 
1 1 1 14  -18 9  o 76.43578 36.38430 -2.781407      4.878533  -0.2074090     4.607016  -6.697327      59.26897 
1 1 1 14  -17 0  o 99.16422 42.22544 5.810493       4.376249  -1.606816      4.763494  36.39751       66.20013 
1 1 1 14  -17 1  o 109.8089 43.71711 2.523266       4.226122  5.037324       4.754990  -15.64713      68.96098 
1 1 1 14  -17 2  o 123.4001 45.43161 3.486464       4.368162  6.838194       4.817012  -21.67405      71.98515 
1 1 1 14  -17 3  o 91.75179 40.45604 4.958713       4.375048  -2.808385      4.617303  36.10243       64.62801 
1 1 1 14  -17 4  o 82.46249 37.68023 -1.365933      4.196772  1.508926       4.414986  -13.98858      61.22949 
1 1 1 14  -17 5  o 96.12682 44.91005 0.000000       0.000000  0.3616642      4.686449  ?              ?        
1 1 1 14  -17 6  o 121.3721 45.43369 2.442686       4.472614  7.404126       4.765395  -32.03239      71.69375 
1 1 1 14  -17 7  o 87.43937 39.29507 0.1063822      4.352089  1.045240       4.552948  -5.463829      63.27707 
1 1 1 14  -17 8  o 61.93220 30.73524 -9.303608      4.544022  -1.742037      4.480147  -19.06764      53.74713 
1 1 1 14  -17 9  o 89.60501 39.75802 -2.316717      4.357155  4.733286       4.452388  -34.24133      63.95547 
1 1 1 14  -17 10 o 119.2588 46.32305 -0.6665341     4.983574  9.758926       4.837707  -61.03297      71.33415 
1 1 1 14  -17 11 o 94.86574 43.50329 2.585592       5.234521  -1.500397      6.607887  8.374451       68.46413 
1 1 1 14  -16 0  f 86.85954 41.44306 -4.902520      5.689991  1.698833       6.933278  -25.78345      69.37152 
1 1 1 14  -16 1  o 128.3194 52.45279 4.522797       6.011825  6.460503       7.462320  -9.391060      81.88371 
1 1 1 14  -16 2  o 103.3755 46.85851 1.623321       5.938337  0.3469661      7.222479  -0.6898193     74.59791 
1 1 1 14  -16 3  f 105.8714 47.57225 -1.044112      5.974290  5.379323       7.245003  -27.58403      76.67458 
1 1 1 14  -16 4  o 140.0852 54.11454 6.620444       6.024681  7.064922       7.585002  -1.030838      84.37652 
1 1 1 14  -16 5  o 131.6042 53.45530 3.897488       6.405287  8.162908       7.337327  -19.04049      83.27298 
1 1 1 14  -16 6  o 111.0561 47.08078 0.2405713      6.596055  4.612103       4.983443  -14.20540      73.77608 
1 1 1 14  -16 7  o 101.2759 44.70793 1.810854       6.441521  1.608948       4.878908  7.072227       71.47927 
1 1 1 14  -16 8  o 116.8164 45.13665 4.490499       4.515057  3.573817       4.781166  5.320999       71.32388 
1 1 1 14  -16 9  o 94.56545 41.06002 0.1698795      4.352030  2.753844       4.602687  -14.63958      65.94855 
1 1 1 14  -16 10 o 115.4140 46.37160 5.701011       6.395894  3.068304       4.333192  16.69904       74.46370 
1 1 1 14  -16 11 o 99.22298 45.71984 0.9057708      4.607647  0.000000       0.000000  ?              ?        
1 1 1 14  -16 12 o 121.7276 46.01698 3.928283       5.234684  5.290867       4.389594  -8.193291      72.39365 
1 1 1 14  -16 13 o 133.1497 47.26871 11.81478       5.846072  2.827220       4.297819  55.15637       76.98614 
1 1 1 14  -15 0  o 84.99981 38.83960 -0.8798898     4.153870  0.1118340      5.144387  -11.85287      64.32873 
1 1 1 14  -15 1  o 101.7135 42.65306 1.483279       4.148261  2.659862       5.055302  -11.48866      68.96465 
1 1 1 14  -15 2  o 138.1087 47.19715 4.568772       4.501593  7.206208       5.313403  -19.03719      77.07916 
1 1 1 14  -15 3  o 171.0263 45.84114 8.029666       4.830407  9.026308       5.104884  -7.192963      80.06237 
1 1 1 14  -15 4  o 85.48317 38.90064 -0.9906100     4.342953  -0.7815886E-02 4.732309  -7.764275      64.30352 
1 1 1 14  -15 5  o 92.10908 40.64130 -2.739940      4.226313  4.889907       4.935355  -45.48705      67.76245 
1 1 1 14  -15 6  o 99.52971 42.25482 2.097981       4.301032  0.8695019      4.824975  3.513100       68.15598 
1 1 1 14  -15 7  o 113.7447 44.61668 5.245481       4.417017  0.9660865      4.785890  25.80481       70.88625 
1 1 1 14  -15 8  o 87.48122 40.47239 -0.6345528     4.364461  -1.589947      6.741836  -12.46267      67.71934 
1 1 1 14  -15 9  o 98.91357 45.00579 2.905722       5.374428  -3.899048      7.080715  15.01319       72.06484 
1 1 1 14  -15 10 o 94.45085 45.28872 0.000000       0.000000  -2.515150      5.394704  ?              ?        
1 1 1 14  -15 11 o 113.6749 52.60046 1.561111       6.192792  0.000000       0.000000  ?              ?        
1 1 1 14  -15 12 o 108.6237 48.34785 8.619639       8.371222  -0.5591672     5.577506  39.05112       79.47339 
1 1 1 14  -15 13 o 93.03720 44.31263 -1.015477      9.591716  -1.871246      5.831942  16.82842       73.18674 
1 1 1 14  -15 14 o 93.95436 45.17339 2.608351       14.12052  -2.921394      5.908618  30.65125       77.45523 
1 1 1 14  -14 0  o 90.54426 42.95269 -4.776341      5.876706  -0.2826603E-01 7.347073  -24.58891      73.01226 
1 1 1 14  -14 1  o 142.0745 54.42529 5.800931       6.385540  5.802927       7.087408  -1.115463      86.57366 
1 1 1 14  -14 2  o 124.2045 51.52972 8.925646       6.093041  -3.967799      7.041082  56.59898       80.80238 
1 1 1 14  -14 3  o 129.5300 51.49856 4.908344       5.832573  3.431010       6.624635  5.322281       82.07613 
1 1 1 14  -14 4  o 212.8413 48.67009 10.00646       5.966657  16.47848       6.662201  -47.62862      89.60123 
1 1 1 14  -14 5  o 132.1613 51.54863 7.115023       6.059052  2.331704       6.139744  26.18118       81.84913 
1 1 1 14  -14 6  o 111.5432 47.61941 -2.982039      5.582557  8.178151       6.097106  -57.80993      77.29662 
1 1 1 14  -14 7  o 145.8770 52.15958 9.894270       5.918834  2.501943       6.029021  46.43040       82.85983 
1 1 1 14  -14 8  o 118.9541 49.69090 2.826026       6.012801  3.116112       6.231953  -2.315598      79.38605 
1 1 1 14  -14 9  o 105.8756 46.56524 2.237344       5.915873  0.2500841      5.914237  8.629906       75.04924 
1 1 1 14  -14 10 o 152.7119 61.72322 0.000000       0.000000  8.233522       6.397167  ?              ?        
1 1 1 14  -14 11 o 96.53931 44.17707 0.6152815      5.867078  -0.9555460     6.018936  4.939857       71.65099 
1 1 1 14  -14 12 o 102.5917 45.83494 2.618311       6.251599  -0.3258546E-01 5.701493  13.02493       73.58471 
1 1 1 14  -14 13 o 117.3180 48.22256 1.757323       5.354020  5.813055       5.966178  -22.35739      76.64520 
1 1 1 14  -14 14 o 99.63753 45.05648 1.030869       5.863914  0.8508874      6.050388  -0.1501312     71.86641 
1 1 1 14  -14 15 o 134.8350 51.48215 4.733732       5.962470  7.489475       6.018127  -14.75955      80.49149 
1 1 1 14  -14 16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  -13 0  o 85.74765 38.48529 -3.270701      4.063209  2.755121       4.470830  -36.62482      64.94781 
1 1 1 14  -13 1  o 202.5006 39.60092 11.66043       4.596372  8.970470       5.024533  29.71378       76.66605 
1 1 1 14  -13 2  o 77.10257 36.14516 -1.434131      4.207935  -3.313612      4.517923  4.714287       61.57219 
1 1 1 14  -13 3  o 103.8967 42.87943 -0.2197285     4.147631  4.098061       4.906582  -33.51665      70.78375 
1 1 1 14  -13 4  o 231.9756 34.45775 12.61363       4.485492  13.88685       5.211938  -5.990829      72.48008 
1 1 1 14  -13 5  o 223.6250 33.93971 12.93297       4.452453  11.43653       4.676600  17.49222       70.68201 
1 1 1 14  -13 6  o 119.1011 43.48208 1.352807       3.913777  6.059666       4.504386  -40.39993      71.01778 
1 1 1 14  -13 7  o 94.29447 40.03735 3.467321       3.794747  -2.563015      4.434171  30.77002       64.78030 
1 1 1 14  -13 8  o 146.5782 43.63560 8.036099       3.982759  2.928126       4.609144  45.05519       71.68587 
1 1 1 14  -13 9  o 219.0151 38.51585 12.99741       4.333292  11.02452       6.271677  35.91969       79.07158 
1 1 1 14  -13 10 o 130.2470 45.30193 6.366154       4.520834  2.739507       4.444285  28.64803       73.57220 
1 1 1 14  -13 11 o 210.9458 35.68056 11.48895       4.392212  11.22412       4.621836  5.316742       73.14289 
1 1 1 14  -13 12 o 93.44731 39.91738 -0.8787724     3.951155  3.326899       4.257759  -27.59634      65.24239 
1 1 1 14  -13 13 o 89.13487 38.85578 3.043900       4.193047  -1.367507      3.899438  27.43549       63.70779 
1 1 1 14  -13 14 o 109.6090 44.26624 3.954118       5.187951  2.049706       4.249319  15.35089       71.41218 
1 1 1 14  -13 15 o 323.1036 28.64916 27.01547       6.156172  25.03320       5.303869  1.227814       63.48962 
1 1 1 14  -13 16 o 120.0251 45.64591 3.803473       5.282962  4.381781       4.271050  -1.799873      72.76473 
1 1 1 14  -13 17 o 84.74818 38.52024 -4.811480      4.732161  3.517262       4.163410  -33.19125      62.77214 
1 1 1 14  -12 0  o 156.4357 42.60132 6.476188       4.070532  6.010295       4.443447  4.458145       74.21922 
1 1 1 14  -12 1  o 189.9123 38.13743 6.841043       4.110203  11.52032       4.605166  -47.21844      72.38289 
1 1 1 14  -12 2  o 201.2459 37.64281 7.966329       4.388899  12.17234       4.677935  -42.28421      73.14917 
1 1 1 14  -12 3  o 228.5588 33.87597 13.21118       4.570597  11.74582       4.750081  16.18765       70.33577 
1 1 1 14  -12 4  o 242.7920 32.18938 16.86780       4.768703  11.19825       4.689641  54.66588       67.80064 
1 1 1 14  -12 5  o 80.03399 36.89119 -1.658089      3.955369  -1.805384      4.616926  -7.032761      62.90406 
1 1 1 14  -12 6  o 94.87778 40.30204 -1.867774      3.946159  3.759523       4.352419  -40.37965      66.88201 
1 1 1 14  -12 7  o 103.1990 41.78103 1.369911       4.030777  1.971409       4.287539  -6.381866      68.43451 
1 1 1 14  -12 8  o 166.6950 40.72023 7.356320       3.922060  6.773634       4.481613  7.069901       73.48207 
1 1 1 14  -12 9  o 132.4993 51.70019 0.000000       0.000000  4.120605       4.339375  ?              ?        
1 1 1 14  -12 10 o 171.9976 39.54727 10.30979       3.887970  4.307528       4.426620  62.27284       69.61713 
1 1 1 14  -12 11 o 100.5456 41.16082 -0.6074666E-01 3.872916  3.812777       4.335038  -29.68968      67.37650 
1 1 1 14  -12 12 o 145.5795 43.72579 7.404422       4.127533  3.830320       4.417046  32.18293       72.87930 
1 1 1 14  -12 13 o 82.31853 36.90385 -1.070009      3.742142  0.5539591      4.074737  -12.11240      61.37660 
1 1 1 14  -12 14 o 172.6362 39.85823 9.443554       4.107896  6.547050       4.260448  30.68848       72.72852 
1 1 1 14  -12 15 o 104.1238 42.60185 2.569227       4.690371  2.023150       4.111503  6.467514       68.64307 
1 1 1 14  -12 16 o 125.2287 45.43482 9.014010       5.447746  1.996250       3.989344  52.06311       74.96636 
1 1 1 14  -12 17 o 196.2842 41.49746 14.68007       5.463988  8.253752       4.472468  49.86617       79.15389 
1 1 1 14  -12 18 o 87.68991 38.87264 -2.130697      4.539511  2.521664       3.927586  -18.88996      62.80537 
1 1 1 14  -11 0  o 109.1077 42.74504 -1.185724      3.937351  6.387469       4.545779  -62.40897      69.69552 
1 1 1 14  -11 1  o 320.3641 26.24284 20.86427       4.910774  26.67946       5.474039  -39.68265      54.33695 
1 1 1 14  -11 2  f 76.62785 35.54324 0.2790808E-01  3.968538  -4.294610      4.105122  19.78766       61.03129 
1 1 1 14  -11 3  f 114.4208 43.43785 4.069299       4.111732  0.7294869      4.401227  23.09000       70.76716 
1 1 1 14  -11 4  o 198.9074 38.77296 10.63724       4.573224  8.493332       4.651966  22.42435       74.65789 
1 1 1 14  -11 5  o 404.4857 22.82288 39.27980       5.656923  34.52506       5.750791  27.84222       46.76022 
1 1 1 14  -11 6  o 462.1900 21.21910 45.87412       5.883034  50.55560       6.270293  -21.91327      43.14074 
1 1 1 14  -11 7  o 208.7057 35.33164 10.53103       4.198245  10.34333       4.660120  4.452057       71.22373 
1 1 1 14  -11 8  o 103.3526 40.86446 2.579523       3.597467  0.6546456      4.236195  8.319473       66.88055 
1 1 1 14  -11 9  o 98.87645 39.99107 2.222630       3.752388  0.5726088      3.850900  11.12013       65.54912 
1 1 1 14  -11 10 o 303.3007 25.01945 17.39392       4.399500  26.09797       4.986244  -63.69879      52.36755 
1 1 1 14  -11 11 o 114.9286 41.75427 1.439986       3.643794  5.082901       4.086059  -33.23930      68.31243 
1 1 1 14  -11 12 o 102.8607 42.74947 0.9476460      3.702362  3.310642       6.201423  -30.69144      73.03340 
1 1 1 14  -11 13 o 250.9943 30.64815 16.30985       4.612815  14.00728       4.735541  23.61139       65.86884 
1 1 1 14  -11 14 o 142.6065 42.04204 6.047365       3.900478  4.837621       4.047231  11.60059       71.30660 
1 1 1 14  -11 15 o 183.9998 38.30083 8.478772       4.167747  9.330349       4.293569  -8.027786      73.26788 
1 1 1 14  -11 16 o 73.25042 34.50266 -1.569782      4.316682  -2.330621      3.828935  8.263138       58.48241 
1 1 1 14  -11 17 o 140.4630 45.98791 5.914026       5.137730  5.614346       4.229681  1.941040       75.86681 
1 1 1 14  -11 18 o 107.3364 43.74003 5.685062       5.443312  1.008748       4.038256  33.14645       71.67409 
1 1 1 14  -11 19 o 84.35127 38.42857 -0.2999632     5.137936  -0.3205386     3.954164  8.903603       63.45180 
1 1 1 14  -10 0  o 136.2571 44.58888 7.766791       4.150055  0.2661339      4.562339  61.96631       70.90932 
1 1 1 14  -10 1  o 353.5966 24.23140 26.35694       5.156645  30.25375       5.418838  -24.69965      49.57691 
1 1 1 14  -10 2  o 398.6775 22.62936 35.82253       5.366159  35.49998       5.806758  3.398346       46.20951 
1 1 1 14  -10 3  o 228.8345 33.47726 7.498107       4.364622  18.14167       4.905763  -102.0818      67.28903 
1 1 1 14  -10 4  o 443.4630 20.92456 42.81210       5.565234  45.26843       5.932096  -11.68921      42.42518 
1 1 1 14  -10 5  o 573.5276 19.41841 80.41122       6.952666  66.42165       6.845669  55.93628       39.35769 
1 1 1 14  -10 6  o 201.1509 37.43420 10.11465       4.446451  9.144927       4.553695  10.52402       73.06047 
1 1 1 14  -10 7  f 181.3096 39.92268 5.537827       4.274220  10.62798       4.469072  -52.65692      72.63616 
1 1 1 14  -10 8  o 460.4426 20.53098 48.86200       5.640516  45.92187       6.083245  16.34842       41.90322 
1 1 1 14  -10 9  o 94.64243 39.32578 -0.1836064E-01 3.543322  2.007880       4.130423  -20.78149      65.50298 
1 1 1 14  -10 10 o 77.53391 35.25193 -5.133837      3.479261  3.944942       3.983197  -61.47762      61.30301 
1 1 1 14  -10 11 o 171.8941 38.96973 5.665188       3.977962  9.156093       4.145499  -37.09995      71.09464 
1 1 1 14  -10 12 o 352.9441 31.73643 29.47581       4.860799  0.000000       0.000000  ?              ?        
1 1 1 14  -10 13 o 126.8071 42.08618 3.147948       3.782839  5.079115       3.948639  -18.14335      69.57866 
1 1 1 14  -10 14 o 186.6933 37.65747 4.098687       3.921578  15.25500       4.574303  -110.6959      66.92861 
1 1 1 14  -10 15 o 125.4747 42.28144 1.890668       3.810853  6.425121       3.989206  -40.70743      68.85463 
1 1 1 14  -10 16 o 78.71040 35.63020 -2.156089      3.658311  0.9783287      3.817682  -18.76613      59.67094 
1 1 1 14  -10 17 o 235.8117 31.86168 18.05820       4.859171  10.65994       4.279050  66.62064       67.84396 
1 1 1 14  -10 18 f 89.96927 39.68519 -0.2387369     4.861051  0.7970636      3.935411  2.026360       65.05409 
1 1 1 14  -10 19 o 175.7525 43.45063 10.34207       5.142912  7.794549       4.370686  17.67459       78.54031 
1 1 1 14  -10 20 o 109.0799 43.92722 6.919838       5.347908  0.6674405      4.046937  42.54359       71.91828 
1 1 1 14  -9  0  o 765.7257 19.43275 130.3844       9.101647  130.3410       9.349360  0.7018433      39.18523 
1 1 1 14  -9  1  o 410.5119 23.12996 40.42429       5.818147  34.91738       5.915456  31.45364       47.19526 
1 1 1 14  -9  2  o 431.8454 21.56923 40.49570       5.517691  42.91053       6.036700  -11.56381      43.75490 
1 1 1 14  -9  3  o 290.7736 27.21255 21.47782       4.752594  16.54753       4.956605  41.12436       57.30633 
1 1 1 14  -9  4  o 584.9205 19.81498 72.18686       6.832736  80.73063       7.584479  -31.89941      40.00268 
1 1 1 14  -9  5  f 233.6482 35.53621 21.29082       5.050703  4.488438       4.928388  153.0242       68.12148 
1 1 1 14  -9  6  o 246.4467 31.87836 15.72600       4.733642  12.14866       4.785537  34.47313       66.43052 
1 1 1 14  -9  7  f 129.8652 42.53760 0.9466728      3.808886  7.212038       4.110061  -60.70104      68.97424 
1 1 1 14  -9  8  o 304.2841 25.29346 19.74373       4.536997  22.31642       4.952474  -18.16107      52.02689 
1 1 1 14  -9  9  o 311.6100 23.98039 20.47826       4.553490  23.39730       4.647422  -21.59570      49.25085 
1 1 1 14  -9  10 o 77.15480 35.29079 -0.4378923     3.594228  -2.866453      4.012288  7.513046       60.14676 
1 1 1 14  -9  11 o 148.7220 46.66782 2.858518       5.753218  6.829565       4.193487  -25.49634      77.55935 
1 1 1 14  -9  12 o 122.2539 44.04084 4.232688       3.604841  1.195212       5.514763  9.122780       72.68408 
1 1 1 14  -9  13 o 174.3924 37.40115 5.227746       3.770178  10.18884       4.099822  -53.47327      68.75561 
1 1 1 14  -9  14 o 93.31161 38.59150 0.1909612      3.498558  2.123586       3.797292  -16.77704      63.53449 
1 1 1 14  -9  15 o 160.6181 39.45815 5.532390       3.755693  7.941596       4.068161  -24.91524      70.82439 
1 1 1 14  -9  16 o 87.13450 37.57011 -1.284702      3.665253  2.157827       3.719751  -22.63023      61.99412 
1 1 1 14  -9  17 o 189.4672 35.86663 8.872626       4.064698  9.404326       4.057511  -5.917892      70.66668 
1 1 1 14  -9  18 o 108.4276 41.86530 3.943568       4.336682  1.877308       3.717916  18.23080       68.04798 
1 1 1 14  -9  19 o 109.3809 43.08722 2.993779       4.798594  2.602038       3.925391  6.957069       69.74963 
1 1 1 14  -9  20 o 146.2301 44.51196 6.292225       4.862167  6.237048       4.046978  -1.441711      74.74141 
1 1 1 14  -9  21 f 89.44532 39.67811 4.415287       5.578128  -1.237605      3.728558  39.76682       67.76045 
1 1 1 14  -8  0  o 113.0562 42.54795 1.546701       3.969703  3.137605       4.148881  -14.66805      70.13509 
1 1 1 14  -8  1  o 128.2251 43.21478 2.322200       3.919988  5.151201       4.240734  -28.08649      71.68189 
1 1 1 14  -8  2  o 156.2103 41.66488 5.150534       3.996679  6.558400       4.236855  -15.31096      72.91370 
1 1 1 14  -8  3  o 177.9770 40.02005 9.669597       4.263792  5.277750       4.359336  45.74525       72.32891 
1 1 1 14  -8  4  o 336.3801 23.98758 24.48424       4.794968  26.31642       5.171305  -11.58160      48.92321 
1 1 1 14  -8  5  o 244.1087 29.90716 9.316275       4.208529  18.87231       4.700602  -89.27643      62.37274 
1 1 1 14  -8  6  o 341.4867 23.24743 24.34463       4.799304  27.91594       4.997014  -23.76743      47.31446 
1 1 1 14  -8  7  o 233.7029 30.79775 12.62202       4.210637  12.31289       4.518006  4.298050       63.80448 
1 1 1 14  -8  8  o 222.1189 33.43079 14.57091       4.354824  7.866073       4.580941  68.80978       67.88226 
1 1 1 14  -8  9  o 233.1719 29.13905 14.20266       4.351060  10.95920       3.927341  30.89442       60.36459 
1 1 1 14  -8  10 o 241.6140 27.70132 17.68228       4.245911  9.565983       3.926464  77.73091       58.45756 
1 1 1 14  -8  11 o 192.2106 50.32825 0.000000       0.000000  9.237568       4.292372  ?              ?        
1 1 1 14  -8  12 o 334.2316 22.45883 23.60095       4.308413  27.31215       5.034744  -22.83331      46.05326 
1 1 1 14  -8  13 o 321.8528 23.22258 22.84429       4.445592  24.22309       4.783466  -8.390289      47.72901 
1 1 1 14  -8  14 o 235.0065 28.48744 12.16149       3.917878  13.69778       4.237253  -13.33052      59.88160 
1 1 1 14  -8  15 o 111.2965 40.73156 4.235844       3.496057  0.8970362      3.871768  25.38744       65.97792 
1 1 1 14  -8  16 o 100.8661 39.54913 0.7140014      3.505864  3.255040       3.714391  -21.68180      64.57558 
1 1 1 14  -8  17 o 156.3915 38.61293 5.140271       3.687953  7.485508       3.759506  -25.35947      68.94624 
1 1 1 14  -8  18 o 255.4243 26.52048 11.73239       3.963547  20.00494       4.344514  -74.22366      57.40445 
1 1 1 14  -8  19 o 237.1691 30.53929 14.25911       4.672462  13.56355       4.151229  0.1707916      66.18225 
1 1 1 14  -8  20 o 91.24166 39.18871 -1.403252      4.333740  2.561871       3.712906  -18.01816      63.48643 
1 1 1 14  -8  21 o 87.70226 38.27498 -0.8675827     4.308434  1.677043       3.633369  -8.674950      62.21947 
1 1 1 14  -8  22 o 90.75625 42.05875 -0.7635292     3.981647  0.000000       0.000000  ?              ?        
1 1 1 14  -7  0  f 326.8243 22.75172 21.09888       4.442541  27.06771       4.739428  -41.56836      46.44421 
1 1 1 14  -7  1  o 424.7602 19.22530 43.67558       5.116186  36.66539       4.991127  37.75793       38.90287 
1 1 1 14  -7  2  o 175.2374 36.63695 5.473310       3.736205  9.250167       3.984115  -42.31134      68.01804 
1 1 1 14  -7  3  o 273.6040 24.43144 17.20028       4.025315  16.43239       4.185313  7.181946       50.33118 
1 1 1 14  -7  4  o 164.5537 37.84094 11.20386       3.873942  2.053635       3.696213  97.96820       63.41173 
1 1 1 14  -7  5  o 467.1695 18.71300 51.52715       5.473690  45.44029       5.352268  29.72784       37.76123 
1 1 1 14  -7  6  o 123.8797 42.59053 1.838242       3.772448  5.070033       4.171461  -32.58442      70.48019 
1 1 1 14  -7  7  o 269.0779 26.98091 19.02269       4.337008  13.36180       4.556755  50.94119       57.41129 
1 1 1 14  -7  8  o 182.8707 37.47779 5.225274       3.934819  10.98947       4.307285  -62.18732      69.08778 
1 1 1 14  -7  9  o 364.5500 20.66171 28.62479       4.681464  30.46216       4.625577  -11.78305      41.85793 
1 1 1 14  -7  10 o 303.8195 23.67387 16.97568       4.352464  24.64338       4.504476  -58.64548      49.16199 
1 1 1 14  -7  11 o 227.9779 33.53680 14.51825       6.147495  11.05827       3.834551  24.72197       72.35418 
1 1 1 14  -7  12 o 487.9360 18.52325 49.82622       5.520416  56.24260       5.675562  -29.88922      37.40617 
1 1 1 14  -7  13 o 433.5098 18.96861 41.86212       4.892845  41.99246       5.309896  0.5458374      38.50658 
1 1 1 14  -7  14 o 414.1247 19.53556 35.77448       4.739275  41.74953       5.319526  -31.19083      39.65570 
1 1 1 14  -7  15 o 320.0603 22.54046 20.63998       4.206950  26.53683       4.732414  -40.29800      46.28429 
1 1 1 14  -7  16 o 197.4713 35.91635 9.637857       3.576990  9.365420       5.486508  12.57335       73.59068 
1 1 1 14  -7  17 o 128.8050 40.84845 3.882898       3.544613  4.586897       3.793545  -7.644203      68.38961 
1 1 1 14  -7  18 o 104.3554 39.82372 1.376972       3.604269  3.159087       3.562289  -14.15345      64.82404 
1 1 1 14  -7  19 o 339.9866 21.50937 33.78154       4.788084  20.99333       4.280611  84.26907       45.07784 
1 1 1 14  -7  20 f 78.06882 35.50613 2.376896       4.304568  -2.623149      3.385084  36.21381       61.08127 
1 1 1 14  -7  21 o 172.7517 39.27278 9.079809       4.703741  7.396762       3.700278  10.17082       73.60203 
1 1 1 14  -7  22 o 81.55959 36.90828 -0.4272144     4.799694  -0.3126460     3.506870  10.67393       61.62051 
1 1 1 14  -7  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  -6  0  o 646.6382 17.71089 94.58517       7.003166  90.57913       7.195868  14.58325       35.68362 
1 1 1 14  -6  1  o 261.5986 25.15815 14.47252       3.900357  16.50885       4.178518  -17.30338      51.87846 
1 1 1 14  -6  2  o 325.7726 21.31381 23.33436       4.259625  24.02296       4.307814  -4.777679      43.28470 
1 1 1 14  -6  3  o 437.3561 18.47009 42.20156       4.969552  42.65143       5.030351  -2.245728      37.24304 
1 1 1 14  -6  4  o 200.8234 31.23878 10.24359       3.759554  8.306201       3.770653  21.89357       63.08282 
1 1 1 14  -6  5  o 467.8557 18.00073 48.34409       5.200978  48.65783       5.227999  -1.491028      36.26166 
1 1 1 14  -6  6  o 414.2921 18.77954 38.71526       4.834051  37.45737       4.793562  6.910614       37.88973 
1 1 1 14  -6  7  o 359.7559 20.23619 29.60090       4.418121  27.91509       4.581919  11.22495       41.05414 
1 1 1 14  -6  8  o 285.7335 32.80926 18.63742       4.037535  0.000000       0.000000  ?              ?        
1 1 1 14  -6  9  o 398.1776 19.83549 33.03366       4.779692  37.56286       4.995233  -25.76950      40.06845 
1 1 1 14  -6  10 o 411.4113 19.38640 40.19176       5.086892  35.18488       4.793434  27.43478       39.11660 
1 1 1 14  -6  11 o 401.3758 20.29138 33.59108       4.990681  38.07222       5.082153  -25.56693      41.04620 
1 1 1 14  -6  12 o 406.6027 19.39288 37.40290       5.001479  36.13757       4.761843  6.635529       39.19275 
1 1 1 14  -6  13 o 440.0215 18.14200 43.43624       5.053507  42.63820       4.836283  3.662689       36.63400 
1 1 1 14  -6  14 o 425.4756 18.41070 33.94829       4.571783  48.50428       5.180376  -76.67166      37.27683 
1 1 1 14  -6  15 o 156.4845 38.29111 3.584862       3.509903  8.894278       3.891775  -58.77675      66.90856 
1 1 1 14  -6  16 o 173.3165 36.08311 6.638398       3.542125  8.149835       4.006855  -15.97533      68.40708 
1 1 1 14  -6  17 o 222.0410 31.56211 14.82893       3.622782  5.250837       5.281455  100.5875       66.62843 
1 1 1 14  -6  18 o 154.6806 47.80416 6.429648       3.570561  0.000000       0.000000  ?              ?        
1 1 1 14  -6  19 o 158.1687 38.05782 5.864283       3.674375  6.979706       3.702861  -12.24609      68.88049 
1 1 1 14  -6  20 o 141.3978 40.06222 6.209521       3.906745  4.616256       3.477452  16.01527       69.05817 
1 1 1 14  -6  21 o 74.08891 34.12054 -0.7928153     4.267778  -1.294978      3.202400  14.05662       58.13094 
1 1 1 14  -6  22 o 121.3732 46.49603 0.000000       0.000000  3.998667       3.462461  ?              ?        
1 1 1 14  -6  23 f 197.5871 35.50376 3.832213       4.705757  14.49852       3.816025  -110.1224      64.45333 
1 1 1 14  -5  0  o 127.8190 40.70329 2.490762       3.540749  5.084774       3.734190  -27.40991      67.97842 
1 1 1 14  -5  1  o 367.4218 19.96527 30.78839       4.431094  29.15632       4.643081  10.74994       40.50237 
1 1 1 14  -5  2  o 220.5529 28.25253 8.468337       3.552306  14.40651       4.049751  -60.70711      58.18079 
1 1 1 14  -5  3  o 379.9683 19.51079 35.83095       4.662535  28.49682       4.508045  44.20108       39.55575 
1 1 1 14  -5  4  o 512.1976 17.40636 55.83628       5.439690  60.33988       5.609064  -19.90469      35.01514 
1 1 1 14  -5  5  o 224.5691 27.02563 8.899042       3.649260  14.02400       3.730525  -53.46786      56.51004 
1 1 1 14  -5  6  o 160.8908 35.83551 6.383875       3.451175  5.742696       3.519401  7.473221       66.02539 
1 1 1 14  -5  7  o 342.2385 19.62666 25.25304       4.024478  26.88170       4.286331  -10.42285      39.71750 
1 1 1 14  -5  8  o 117.1735 39.57383 1.030830       3.305608  5.170151       3.533449  -43.15849      64.83764 
1 1 1 14  -5  9  o 342.4698 19.51210 26.02344       4.085155  26.09886       4.172261  -0.3145447     39.47838 
1 1 1 14  -5  10 o 427.8102 18.13183 40.25282       4.783653  40.84211       4.818345  -3.104919      36.53877 
1 1 1 14  -5  11 o 427.3645 18.91587 38.13451       4.970605  42.87265       5.034469  -25.40100      38.17904 
1 1 1 14  -5  12 o 431.3995 18.44026 43.48761       5.013487  39.11826       4.837887  22.97052       37.16702 
1 1 1 14  -5  13 o 724.3564 17.79046 119.3506       8.157079  113.0824       7.840038  19.29718       35.82013 
1 1 1 14  -5  14 o 462.3211 17.70004 50.52078       5.281249  44.81096       4.876469  27.46317       35.69293 
1 1 1 14  -5  15 o 201.4611 31.29961 8.534863       3.698999  10.43298       3.876464  -20.66101      63.44436 
1 1 1 14  -5  16 o 209.4504 29.20735 5.441329       3.408487  16.92301       4.059818  -118.9038      58.71180 
1 1 1 14  -5  17 o 114.6933 40.20377 1.159603       3.406779  5.036767       3.676636  -37.94923      65.77742 
1 1 1 14  -5  18 o 221.9751 31.66021 10.60329       3.540230  14.77636       5.619407  -25.28276      69.43137 
1 1 1 14  -5  19 o 362.5154 20.22873 27.84798       4.377121  32.22211       4.702138  -26.20676      41.43049 
1 1 1 14  -5  20 o 95.60448 38.22087 3.688102       3.428139  -0.5087928     3.429409  32.59800       61.95541 
1 1 1 14  -5  21 o 118.4893 41.41023 4.484749       3.885715  2.851001       3.623137  15.10590       67.78634 
1 1 1 14  -5  22 o 112.8923 40.94657 6.078410       4.285535  1.529029       3.298436  41.75665       67.64983 
1 1 1 14  -5  23 o 116.2454 41.90660 4.405551       4.703581  3.272485       3.357308  12.28270       68.98009 
1 1 1 14  -5  24 o 82.62839 35.79880 2.286398       3.697853  -0.6060006     3.139079  23.28737       59.13385 
1 1 1 14  -4  0  o 336.0365 20.54509 28.08777       4.273709  22.19898       4.250711  40.59686       41.95009 
1 1 1 14  -4  1  o 230.1008 26.99710 9.990804       3.560415  14.52158       4.046612  -44.39586      55.79672 
1 1 1 14  -4  2  o 250.3143 25.21806 9.870116       3.625094  19.59112       4.153430  -88.88930      53.12081 
1 1 1 14  -4  3  o 85.04884 36.58743 -0.9133401     3.352685  0.8653488      3.637221  -16.55445      61.62768 
1 1 1 14  -4  4  o 346.8642 19.85323 25.97655       4.204513  27.43965       4.305107  -9.545593      40.12833 
1 1 1 14  -4  5  o 363.9665 19.55117 29.92597       4.355208  28.78607       4.442045  7.384491       39.51199 
1 1 1 14  -4  6  o 303.2243 21.35088 19.91094       3.923993  21.04085       4.060186  -8.339386      43.35039 
1 1 1 14  -4  7  o 476.0834 16.88690 50.61408       4.965410  49.53369       4.993138  5.246307       33.96147 
1 1 1 14  -4  8  o 141.0830 37.16703 4.262760       3.312422  5.055319       3.282773  -9.092087      65.19820 
1 1 1 14  -4  9  o 410.2760 17.62075 39.44833       4.511335  35.13966       4.437722  24.01990       35.52983 
1 1 1 14  -4  10 o 847.4958 17.45731 159.9060       9.202872  157.5859       9.152617  6.197571       35.10350 
1 1 1 14  -4  11 o 404.9806 17.54052 38.86354       4.434989  33.85680       4.358103  28.29639       35.39511 
1 1 1 14  -4  12 o 148.2994 39.89334 6.064828       3.778662  4.311754       3.721198  19.17436       69.42251 
1 1 1 14  -4  13 o 77.81050 36.01632 -3.480829      3.532863  0.2810378      5.114334  -41.02331      65.36666 
1 1 1 14  -4  14 o 377.8359 19.33990 29.11595       4.441020  34.49540       4.598695  -32.49088      39.13572 
1 1 1 14  -4  15 o 293.4005 22.16999 20.02554       4.115670  18.63850       3.903053  10.31915       45.27299 
1 1 1 14  -4  16 o 229.1186 27.46221 11.14465       3.776823  12.93431       3.875998  -18.04048      57.20050 
1 1 1 14  -4  17 o 81.17011 35.14871 -2.085896      3.089098  2.505667       3.460713  -37.98360      59.26170 
1 1 1 14  -4  18 o 82.59962 35.46036 -0.9831424     3.103921  1.600513       3.447042  -22.86883      59.36478 
1 1 1 14  -4  19 f 116.2243 40.70230 5.688421       3.120557  -1.940502      4.481562  50.60218       63.18383 
1 1 1 14  -4  20 o 124.4362 39.11478 4.628849       3.347275  3.133595       3.383616  15.13206       65.39170 
1 1 1 14  -4  21 o 102.3749 38.36160 -0.2773379     3.297833  4.868440       3.281704  -44.52856      61.35801 
1 1 1 14  -4  22 o 128.8876 40.60335 6.163822       4.049332  3.347255       3.310170  27.58944       68.29778 
1 1 1 14  -4  23 o 75.78703 34.60088 -0.6353897     4.037665  -0.9338911     3.305990  9.353035       58.16937 
1 1 1 14  -4  24 o 85.55129 37.12517 -0.8603802     4.275748  1.499531       3.239729  -4.744743      60.53036 
1 1 1 14  -4  25 o 127.1053 56.63377 4.520004       6.386252  0.000000       0.000000  ?              ?        
1 1 1 14  -3  0  o 151.6667 38.01881 5.674097       3.451756  5.118445       3.700468  5.513046       67.70891 
1 1 1 14  -3  1  o 230.6577 25.89006 14.22657       3.576697  9.566586       3.707897  48.36456       54.75246 
1 1 1 14  -3  2  o 318.7967 20.46392 26.38454       4.104626  19.03813       3.950770  53.06860       41.85981 
1 1 1 14  -3  3  o 422.1334 17.81692 39.68005       4.623124  39.10078       4.687572  3.247803       35.87312 
1 1 1 14  -3  4  o 283.5438 21.98882 20.52886       3.825349  15.23727       3.849495  43.70959       45.48209 
1 1 1 14  -3  5  o 343.9933 19.54016 28.01202       4.133583  24.39928       4.171579  24.33020       39.60933 
1 1 1 14  -3  6  o 578.5935 16.48813 73.44681       5.845100  74.29047       5.980790  -3.180054      33.11547 
1 1 1 14  -3  7  o 242.0340 24.68304 13.07062       3.631108  13.18729       3.677463  -0.9953613     50.81126 
1 1 1 14  -3  8  o 575.1813 16.27811 78.32919       5.943151  68.14350       5.670709  40.19061       32.69902 
1 1 1 14  -3  9  o 289.4522 20.27327 16.12646       3.639659  21.05677       3.594982  -39.77969      41.69446 
1 1 1 14  -3  10 o 266.8558 21.46255 15.82658       3.582122  15.92961       3.466500  -1.211578      43.79550 
1 1 1 14  -3  11 f 515.4631 15.96035 58.87850       5.119131  58.51147       5.075576  1.568359       32.07783 
1 1 1 14  -3  12 o 403.4218 17.48712 34.22181       4.387996  37.80833       4.343886  -20.53729      35.30255 
1 1 1 14  -3  13 o 189.6258 44.95052 8.564979       3.681478  0.000000       0.000000  ?              ?        
1 1 1 14  -3  14 o 322.6651 20.62942 27.20752       4.182276  19.37660       4.036540  55.95599       42.29186 
1 1 1 14  -3  15 o 263.2401 23.98831 15.64461       3.801205  15.47498       3.951444  2.039856       49.35374 
1 1 1 14  -3  16 o 84.97720 35.60440 -0.3204496E-01 3.204874  0.8316875      3.109177  -5.402115      59.24421 
1 1 1 14  -3  17 o 159.0677 34.06852 9.991246       3.393920  2.616580       3.141414  86.46891       59.37934 
1 1 1 14  -3  18 o 93.03293 36.79880 3.156785       2.993075  -0.9763671     3.324611  30.80934       59.62607 
1 1 1 14  -3  19 o 146.5150 36.12441 6.732698       3.177230  3.673165       3.354220  35.49828       63.65758 
1 1 1 14  -3  20 o 125.6438 42.36971 4.791009       3.454367  2.416889       4.622509  14.61414       69.69129 
1 1 1 14  -3  21 o 155.2917 35.66905 8.256176       3.424801  4.033705       3.305496  48.75012       63.94804 
1 1 1 14  -3  22 f 127.7492 37.84163 4.203765       3.365103  4.289668       3.077243  -0.5285187     64.37279 
1 1 1 14  -3  23 o 101.2300 38.86950 1.201979       4.130816  2.889186       2.992776  -5.365906      63.14021 
1 1 1 14  -3  24 o 100.8873 39.33020 4.522338       4.785161  1.494044       2.947277  31.10859       66.53532 
1 1 1 14  -3  25 o 91.76347 38.40709 4.127336       6.000323  0.7958251      2.874763  36.07496       67.77056 
1 1 1 14  -2  0  o 475.8462 17.40537 53.03736       5.162450  47.15043       5.096215  28.29980       35.05366 
1 1 1 14  -2  1  o 642.1328 16.66874 89.10917       6.500411  93.05710       6.776216  -13.73676      33.47921 
1 1 1 14  -2  2  o 487.2990 16.96078 51.75449       5.004723  53.16632       5.241727  -6.337189      34.10969 
1 1 1 14  -2  3  o 344.1217 19.05569 24.88649       3.920902  27.75825       4.196876  -18.74908      38.47004 
1 1 1 14  -2  4  o 814.1594 17.07212 142.9207       8.505395  149.5643       8.743747  -18.41223      34.28980 
1 1 1 14  -2  5  o 810.2263 17.14577 141.1687       8.433864  148.6409       8.813607  -20.68597      34.44395 
1 1 1 14  -2  6  o 375.4603 18.06294 32.82345       4.167793  29.47260       4.221977  20.62717       36.48093 
1 1 1 14  -2  7  o 319.2545 19.70473 22.69443       3.783731  22.48155       3.991197  1.919678       39.92085 
1 1 1 14  -2  8  o 543.9664 16.22060 63.86451       5.411607  66.72310       5.524671  -11.90613      32.57183 
1 1 1 14  -2  9  o 302.4641 20.29067 19.95608       3.793969  20.65959       3.776111  -5.426025      41.12528 
1 1 1 14  -2  10 o 653.4127 15.94429 97.64346       6.553689  90.78285       6.375257  23.82635       32.04039 
1 1 1 14  -2  11 o 260.1430 21.48609 18.65685       3.545178  11.93308       3.336993  59.83128       44.68202 
1 1 1 14  -2  12 o 301.3597 23.00780 19.24060       6.101081  20.62530       3.473120  -19.17865      57.31119 
1 1 1 14  -2  13 f 456.4301 19.34225 48.61158       4.736864  41.39212       6.678260  40.90817       42.87262 
1 1 1 14  -2  14 o 105.7254 38.09181 0.8227807      3.264266  3.402371       3.125053  -23.41700      62.47114 
1 1 1 14  -2  15 o 269.4901 23.15512 15.86831       3.923012  16.59151       3.749583  -6.812714      47.52364 
1 1 1 14  -2  16 o 280.2867 31.74575 14.84990       5.252401  21.46951       5.610253  -54.45506      66.41835 
1 1 1 14  -2  17 o 260.7931 31.16787 14.55101       4.867162  16.78951       5.021409  -19.65201      65.06767 
1 1 1 14  -2  18 o 182.7880 40.34772 9.780165       4.666013  6.752076       4.265471  30.84608       74.61322 
1 1 1 14  -2  19 o 154.6728 45.14754 6.374221       4.264222  5.524613       5.029650  5.975189       77.22083 
1 1 1 14  -2  20 o 192.5854 43.52633 8.042940       4.774774  11.42400       5.445281  -29.69028      80.59793 
1 1 1 14  -2  21 f 100.5509 45.66913 -0.8700693     4.383655  0.000000       0.000000  ?              ?        
1 1 1 14  -2  22 o 268.8901 32.56791 19.65958       5.306577  15.62430       5.336916  37.01884       70.55818 
1 1 1 14  -2  23 o 78.09526 36.47588 -0.1140185     4.977266  -2.841055      3.937550  21.83699       62.56429 
1 1 1 14  -2  24 o 187.1358 49.78134 13.61390       9.238162  9.609030       4.655155  1.701965       91.13797 
1 1 1 14  -2  25 o 107.4646 42.80695 1.508699       4.091671  4.366349       4.509644  -20.33516      68.76588 
1 1 1 14  -2  26 o 83.65181 39.32343 -5.621473      5.842210  1.177113       4.755409  -15.57854      64.61192 
1 1 1 14  -1  0  o 562.7843 16.88415 74.30043       5.942255  65.73096       5.834629  34.75403       33.95796 
1 1 1 14  -1  1  o 767.2383 17.11034 130.2727       8.099152  129.3702       8.188360  2.796509       34.38185 
1 1 1 14  -1  2  o 263.3801 23.74141 17.20578       3.903399  13.88812       3.774413  29.18935       48.79878 
1 1 1 14  -1  3  o 395.0333 17.78047 30.37881       4.137432  39.54189       4.589402  -52.42517      35.81586 
1 1 1 14  -1  4  o 566.4959 16.14972 72.49708       5.693393  69.05910       5.645646  13.84430       32.42606 
1 1 1 14  -1  5  o 348.0027 18.68715 25.33436       3.962848  28.34955       4.078155  -19.77411      37.71448 
1 1 1 14  -1  6  o 523.8563 16.00264 58.34130       5.104578  62.83983       5.288513  -19.45703      32.13151 
1 1 1 14  -1  7  o 718.6485 16.08292 112.2632       7.060670  115.3915       7.283824  -9.734253      32.30125 
1 1 1 14  -1  8  o 383.7959 17.09012 35.40263       4.126842  29.84820       3.993542  33.05313       34.44882 
1 1 1 14  -1  9  o 379.1802 17.44280 33.23547       4.067166  30.26767       4.116862  18.07245       35.18626 
1 1 1 14  -1  10 o 698.8478 15.97226 113.1828       7.085067  102.5300       6.773685  34.53033       32.08026 
1 1 1 14  -1  11 f 119.4192 37.58262 3.466209       3.093023  2.911303       3.118984  5.905205       63.26297 
1 1 1 14  -1  12 o 222.6962 35.51880 0.000000       0.000000  11.43032       3.353076  ?              ?        
1 1 1 14  -1  13 o 313.2807 27.14762 23.42371       5.104059  20.57306       5.352162  22.24622       56.20987 
1 1 1 14  -1  14 o 382.5864 24.01211 33.90696       5.663540  31.44600       5.676412  14.96585       48.80469 
1 1 1 14  -1  15 o 362.2973 24.47979 29.68340       5.533660  28.95252       5.407131  4.374207       49.76891 
1 1 1 14  -1  16 o 398.0728 26.49671 37.62981       6.432310  33.30622       6.581579  25.74670       54.20716 
1 1 1 14  -1  17 o 190.2266 35.77818 9.165912       3.574184  7.266799       4.842812  21.71481       70.48316 
1 1 1 14  -1  18 f 257.6671 22.25686 17.84032       3.529559  12.07810       3.515707  52.84152       46.90759 
1 1 1 14  -1  19 o 463.6974 18.64013 49.72173       4.769083  45.20546       6.215085  27.68649       39.79667 
1 1 1 14  -1  20 o 330.2467 24.78729 27.21725       5.090983  22.76044       4.992156  31.31943       51.39949 
1 1 1 14  -1  21 o 150.9309 41.36864 3.390738       3.814386  8.914963       4.187029  -55.44372      70.25239 
1 1 1 14  -1  22 o 146.0161 43.10089 5.229995       4.193837  5.986999       4.150993  -7.110947      73.25438 
1 1 1 14  -1  23 o 181.4141 40.12507 8.368660       4.362804  8.998817       4.429087  -6.046371      75.07022 
1 1 1 14  -1  24 o 141.2422 42.90238 5.506940       4.221882  5.687955       3.968757  -1.916367      72.12674 
1 1 1 14  -1  25 o 64.66076 31.25080 -4.111506      4.183512  -2.612524      3.514239  1.976486       53.88142 
1 1 1 14  -1  26 o 88.48466 36.62265 -0.5315753     3.982352  2.335862       2.853533  -10.12371      59.03273 
1 1 1 14  0   0  o 253.3919 23.56742 12.90199       3.529695  16.05107       3.810304  -28.30978      48.37385 
1 1 1 14  0   1  o 313.9899 20.16048 20.23469       3.822873  23.65989       3.994789  -24.89008      40.84045 
1 1 1 14  0   2  o 197.5017 28.51390 9.312198       3.323926  8.345347       3.465153  11.64549       58.15383 
1 1 1 14  0   3  o 688.1015 16.45319 107.2042       7.116368  101.6091       6.933091  18.41797       33.05183 
1 1 1 14  0   4  o 422.3882 17.22371 39.25832       4.522764  39.53217       4.484330  -1.538300      34.64640 
1 1 1 14  0   5  o 209.5607 27.39132 11.01021       3.489305  8.842241       3.462019  24.12488       56.39257 
1 1 1 14  0   6  o 241.6963 34.21346 0.000000       0.000000  13.31881       3.525892  ?              ?        
1 1 1 14  0   7  o 380.6738 17.27130 29.23777       3.931222  35.21032       4.219722  -35.57715      34.77777 
1 1 1 14  0   8  o 573.8572 15.62242 75.73277       5.568808  69.45821       5.543333  25.00470       31.37729 
1 1 1 14  0   9  o 229.4964 22.51154 9.481615       3.012255  14.56357       3.340285  -50.84224      46.56352 
1 1 1 14  0   10 o 200.0890 25.96633 8.702812       3.113996  9.366392       3.181042  -7.568253      53.35471 
1 1 1 14  0   11 o 442.9482 23.31715 46.15721       6.389589  41.00937       6.378998  26.81903       47.21253 
1 1 1 14  0   12 o 273.9070 30.65540 18.50079       5.472933  15.76380       4.826618  21.40939       63.53046 
1 1 1 14  0   13 o 580.9666 22.01651 79.61762       8.149094  70.75163       7.709341  34.26563       44.39603 
1 1 1 14  0   14 f 202.6949 36.27325 9.561118       4.255792  9.554029       4.545244  0.6021729      71.25089 
1 1 1 14  0   15 o 381.6894 20.57016 34.60525       4.294166  28.41041       5.706323  41.27762       45.07933 
1 1 1 14  0   16 o 505.6985 22.24675 48.39021       6.652313  67.06018       7.318517  -83.39651      45.03996 
1 1 1 14  0   17 o 206.1653 38.76805 9.881770       4.874418  10.08633       4.683406  -2.423218      75.24368 
1 1 1 14  0   18 o 220.1898 32.51410 9.983867       4.336494  12.45180       4.279317  -26.05067      66.57085 
1 1 1 14  0   19 o 235.4408 29.56805 15.38995       4.457531  10.68432       4.022635  44.72116       61.56461 
1 1 1 14  0   20 f 81.41042 34.72467 1.953045       3.931709  -0.5383139     2.629950  34.82014       60.32376 
1 1 1 14  0   21 o 241.6318 20.95800 14.34832       3.121011  12.24562       3.099782  20.48940       43.52128 
1 1 1 14  0   22 f 115.2728 35.16558 3.785428       2.801795  2.838913       2.688766  11.49347       59.39354 
1 1 1 14  0   23 o 65.24718 29.87323 1.303555       2.793175  -3.005240      2.655286  29.89232       51.19267 
1 1 1 14  0   24 o 192.3098 25.37195 8.976861       3.159379  8.740491       2.782325  -1.266403      53.99062 
1 1 1 14  0   25 o 187.3550 28.77884 7.910679       3.953450  9.038824       2.808412  -25.66129      61.76177 
1 1 1 14  0   26 o 67.30901 30.97686 -2.630576      3.871804  -0.1185689     2.509949  3.021721       52.37288 
1 1 1 14  0   27 o 130.4930 35.31245 2.626634       3.142498  6.255948       2.751217  -41.70207      59.43055 
1 1 1 14  1   0  o 762.4675 16.96163 127.7833       7.997776  128.6582       8.047284  -2.569641      34.07935 
1 1 1 14  1   1  o 138.7260 38.82384 0.3980719      3.392502  8.928158       3.557303  -91.53590      61.11584 
1 1 1 14  1   2  o 194.9249 29.87879 7.205967       3.445229  10.18141       3.552884  -34.32594      60.11501 
1 1 1 14  1   3  o 229.1353 24.80965 12.00413       3.470685  11.53103       3.469697  4.868851       51.12541 
1 1 1 14  1   4  o 127.7809 37.50483 4.962810       3.167679  2.514644       3.165737  27.72117       63.42646 
1 1 1 14  1   5  o 229.6815 23.81904 9.677861       3.265202  14.15947       3.429734  -45.44724      49.54753 
1 1 1 14  1   6  o 116.2758 38.07617 4.836761       3.210238  1.147281       3.122947  39.85135       62.52258 
1 1 1 14  1   7  o 221.1611 25.32018 9.704197       3.354399  12.36131       3.470878  -27.95906      52.36849 
1 1 1 14  1   8  f 239.4863 23.09635 11.34904       3.336850  14.36812       3.442919  -29.33380      47.62571 
1 1 1 14  1   9  o 660.4037 15.65183 93.67332       6.314066  98.59100       6.514555  -16.83759      31.43338 
1 1 1 14  1   10 o 581.4876 21.87881 72.13200       7.674254  77.92284       8.098459  -22.25208      44.05982 
1 1 1 14  1   11 f 493.3309 21.71653 57.36396       6.638281  50.50062       6.620713  31.99997       43.86581 
1 1 1 14  1   12 f 236.1151 33.12762 11.11649       4.527386  14.59577       4.936772  -32.89223      67.71659 
1 1 1 14  1   13 o 831.9626 16.59544 159.2119       8.658054  146.4197       8.474179  34.96875       33.34161 
1 1 1 14  1   14 o 323.2785 23.81578 21.31371       4.683340  25.49234       4.803757  -29.80295      48.65320 
1 1 1 14  1   15 o 509.0401 20.73381 56.30036       6.524726  58.77564       6.542058  -11.16101      41.83186 
1 1 1 14  1   16 o 521.0212 21.17855 65.57877       6.972003  55.34386       6.697554  44.66693       42.76209 
1 1 1 14  1   17 o 239.6174 26.45908 11.48378       4.677020  13.72395       3.371001  -26.89203      59.38656 
1 1 1 14  1   18 o 143.1526 33.06123 4.888343       2.956736  4.766726       2.802707  1.856949       60.35175 
1 1 1 14  1   19 o 283.7875 18.64919 17.67248       3.321179  18.26594       3.211190  -5.214478      37.94779 
1 1 1 14  1   20 o 263.7710 18.99060 16.78225       3.178829  14.57128       3.001763  18.81100       38.76849 
1 1 1 14  1   21 f 126.6239 33.33425 2.632388       2.741764  5.011147       2.573578  -29.65121      57.64182 
1 1 1 14  1   22 o 308.1438 17.30238 23.08407       3.325262  19.80884       3.263663  24.42581       35.35730 
1 1 1 14  1   23 o 332.5388 16.69933 25.84979       3.476493  24.05187       3.392497  12.10403       34.00886 
1 1 1 14  1   24 o 144.4686 31.57811 4.412941       2.752784  6.065249       2.748746  -21.68196      58.67302 
1 1 1 14  1   25 o 75.54366 32.53286 3.267710       3.207273  -1.335027      2.462162  43.23125       55.28644 
1 1 1 14  1   26 o 68.63864 30.83943 -1.371682      3.206154  0.2643962      2.429932  -0.5974121     51.41364 
1 1 1 14  1   27 o 151.1593 30.78667 3.882970       3.022183  7.436521       2.601973  -48.04082      57.24561 
1 1 1 14  2   0  o 210.1782 28.82258 7.600376       3.594267  12.61912       3.727266  -54.79500      59.11071 
1 1 1 14  2   1  o 555.8443 16.54418 64.88219       5.591138  71.68153       5.811476  -27.75195      33.22499 
1 1 1 14  2   2  o 384.9919 18.57708 32.96183       4.473390  32.59454       4.375156  2.051666       37.43410 
1 1 1 14  2   3  o 1022.830 18.74740 237.6973       12.12397  224.4212       11.67834  29.21313       37.65340 
1 1 1 14  2   4  o 433.6584 17.25839 41.72345       4.715920  41.33707       4.554992  1.838623       34.72454 
1 1 1 14  2   5  f 644.0751 16.03820 93.03102       6.478703  89.84052       6.339161  11.19110       32.22253 
1 1 1 14  2   6  o 368.9630 17.74385 29.64210       4.062675  30.54568       4.035910  -5.673798      35.75521 
1 1 1 14  2   7  o 324.6252 18.42666 24.33271       3.721244  22.35362       3.670031  13.97476       37.21825 
1 1 1 14  2   8  o 606.6925 15.40624 81.82818       5.789529  80.41707       5.797186  5.330811       30.91635 
1 1 1 14  2   9  o 488.9574 22.13114 53.37321       6.695748  52.61018       6.694657  3.590668       44.62785 
1 1 1 14  2   10 f 655.3377 21.77918 94.67936       8.734530  95.45386       8.952217  -2.412781      43.83521 
1 1 1 14  2   11 o 439.3326 22.04313 44.28004       5.969059  41.28757       6.007444  15.76599       44.53044 
1 1 1 14  2   12 o 409.3029 16.45276 38.18877       4.110105  35.70020       4.230142  14.11765       33.15370 
1 1 1 14  2   13 o 958.1777 24.69094 206.6145       14.79591  201.3120       14.53460  12.27551       49.74409 
1 1 1 14  2   14 o 757.3513 22.06853 130.4200       10.53381  124.3242       10.18834  17.88751       44.45101 
1 1 1 14  2   15 o 789.0701 22.23667 138.1113       10.84309  138.5911       10.90412  -1.280029      44.81747 
1 1 1 14  2   16 o 181.5890 28.48738 6.442078       3.110078  8.632420       3.096827  -27.21539      57.24990 
1 1 1 14  2   17 o 200.4906 25.43847 7.802482       3.063171  10.42190       3.122938  -30.45399      52.58561 
1 1 1 14  2   18 o 267.1879 20.14037 18.56334       3.397996  13.53135       3.235072  43.39241       41.35729 
1 1 1 14  2   19 o 671.8279 15.10932 101.9477       6.481323  97.90110       6.127170  13.13324       30.42035 
1 1 1 14  2   20 o 293.1611 16.76435 17.89292       3.043012  20.40164       3.028943  -19.87198      34.06800 
1 1 1 14  2   21 o 303.8787 16.39274 20.83196       3.151080  20.44446       3.010956  2.425568       33.26249 
1 1 1 14  2   22 o 261.2106 26.08403 15.86192       2.948672  0.000000       0.000000  ?              ?        
1 1 1 14  2   23 o 83.97788 32.67949 0.7605357      2.438303  1.740869       2.455145  -9.782875      53.55366 
1 1 1 14  2   24 o 103.8881 34.41114 3.828169       2.533316  1.364178       2.635538  26.84966       56.32713 
1 1 1 14  2   25 o 88.03457 33.03915 3.765995       2.575101  -0.2264941E-01 2.327945  40.84168       53.45322 
1 1 1 14  2   26 o 110.9053 34.97752 3.627435       3.390382  3.047482       2.296455  8.823914       59.75794 
1 1 1 14  2   27 o 217.4639 23.90959 9.181705       4.113266  12.39668       2.675997  -56.80315      58.45792 
1 1 1 14  2   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  3   0  o 1181.652 20.80546 305.9392       15.15083  311.8250       15.35210  -11.13757      41.83619 
1 1 1 14  3   1  o 479.8225 17.17999 51.24859       5.123228  50.40438       5.087489  3.990662       34.53208 
1 1 1 14  3   2  o 275.6409 23.04366 17.45477       3.947406  16.42282       3.862218  8.541504       47.01414 
1 1 1 14  3   3  f 383.0888 18.25207 32.38913       4.353402  32.48464       4.296967  -0.6527710     36.76690 
1 1 1 14  3   4  o 513.5683 16.33586 56.10689       5.188368  60.24442       5.206899  -18.43829      32.82492 
1 1 1 14  3   5  o 420.2071 17.39181 40.94069       4.625555  37.22104       4.428113  20.04700       34.98908 
1 1 1 14  3   6  o 211.2873 26.80757 12.91017       3.529182  7.517589       3.347192  58.96504       55.52620 
1 1 1 14  3   7  o 89.46239 35.91844 -0.8164955     3.017802  2.653159       3.065815  -30.89916      59.16942 
1 1 1 14  3   8  o 499.1171 15.77506 55.25911       4.905707  54.62610       4.850809  2.842529       31.68029 
1 1 1 14  3   9  o 757.7014 22.85530 123.3196       10.46764  131.5017       11.01339  -23.97864      46.01115 
1 1 1 14  3   10 f 372.4068 23.46707 30.17349       5.318926  31.51497       5.471512  -8.047058      47.53701 
1 1 1 14  3   11 o 809.9401 22.93880 148.1145       11.58960  142.5410       11.43862  15.58002       46.15594 
1 1 1 14  3   12 o 250.6892 25.13913 13.69944       3.446583  14.69730       4.459498  -6.395004      53.16267 
1 1 1 14  3   13 o 842.3792 22.92696 157.4425       12.04397  157.1658       11.89587  0.5280151      46.15169 
1 1 1 14  3   14 o 995.3489 25.32020 229.4108       15.90134  211.9972       15.35479  39.19983       51.05332 
1 1 1 14  3   15 o 334.3632 17.14159 22.25724       3.439544  27.58797       3.657515  -36.25409      34.62517 
1 1 1 14  3   16 o 690.4775 14.98229 105.9431       6.410174  104.3802       6.424203  5.201904       30.10326 
1 1 1 14  3   17 o 377.7443 16.22679 31.27253       3.785781  31.82643       3.801137  -3.344452      32.66880 
1 1 1 14  3   18 o 80.84419 37.69286 0.000000       0.000000  -2.823400      3.273980  ?              ?        
1 1 1 14  3   19 o 456.9489 14.62325 46.22088       4.189735  46.12487       4.091403  0.3013306      29.41610 
1 1 1 14  3   20 o 303.3974 16.47616 20.52982       3.190576  20.43574       2.996981  0.1540527      33.40274 
1 1 1 14  3   21 o 327.7874 15.42246 24.57365       3.215221  23.34154       3.045860  8.119751       31.19501 
1 1 1 14  3   22 o 214.6997 20.68883 11.64181       2.825086  9.502757       2.628195  22.35828       42.96219 
1 1 1 14  3   23 o 224.0372 19.79143 9.346496       2.768585  13.48558       2.678176  -44.99170      42.47750 
1 1 1 14  3   24 o 251.8647 18.00500 13.39255       2.782348  15.48306       2.806794  -19.36330      37.13960 
1 1 1 14  3   25 o 84.11502 31.93642 2.549536       2.325765  0.4044355      2.269294  22.73839       51.94548 
1 1 1 14  3   26 o 320.1398 16.29566 21.26417       3.348581  25.23488       3.115064  -31.15567      33.94773 
1 1 1 14  3   27 o 138.9766 30.31037 6.837205       2.999744  3.999341       2.241442  31.89880       57.50249 
1 1 1 14  3   28 f 108.3808 32.62157 2.436990       2.679982  3.661011       2.150446  -14.16455      54.72998 
1 1 1 14  4   0  o 765.0939 17.33892 129.5534       8.180095  128.7705       8.279030  2.466553       34.85248 
1 1 1 14  4   1  o 665.3018 16.80769 94.01688       6.798038  101.5545       7.072055  -25.61731      33.74115 
1 1 1 14  4   2  o 229.5788 26.34815 11.81707       3.659907  11.87066       3.709350  -0.4012756     54.35434 
1 1 1 14  4   3  o 882.0743 17.64936 172.9878       9.690458  170.0819       9.624244  7.471375       35.44113 
1 1 1 14  4   4  o 241.8574 25.18386 14.34091       3.796839  11.95199       3.653382  22.85693       51.92002 
1 1 1 14  4   5  f 499.0912 16.55694 55.85868       5.168039  54.07550       5.071093  8.075317       33.25993 
1 1 1 14  4   6  o 539.5723 16.03141 65.84779       5.425137  62.63362       5.296943  13.49695       32.18858 
1 1 1 14  4   7  o 370.7876 17.91818 31.66723       4.121734  29.14625       4.096603  15.60529       36.12627 
1 1 1 14  4   8  o 642.5830 15.66271 98.28652       6.478998  84.62090       6.031536  48.11426       31.46292 
1 1 1 14  4   9  o 197.4917 38.89375 8.160596       4.548826  10.01942       4.642974  -19.29160      74.12049 
1 1 1 14  4   10 o 183.4311 41.11027 9.098894       4.681527  6.781464       4.450690  24.14459       75.39037 
1 1 1 14  4   11 o 680.6315 21.92035 97.46270       9.057807  108.0678       9.439865  -35.21130      44.11047 
1 1 1 14  4   12 o 426.8868 22.10433 39.67641       5.868825  41.14142       5.798685  -8.033569      44.65331 
1 1 1 14  4   13 o 132.5527 43.93635 3.869168       4.301704  3.804602       4.124949  1.941452       73.35733 
1 1 1 14  4   14 o 319.6461 35.66270 23.26049       4.915093  0.000000       0.000000  ?              ?        
1 1 1 14  4   15 o 871.2319 16.30787 164.6365       8.731453  170.5247       8.897862  -15.25092      32.76043 
1 1 1 14  4   16 o 865.9704 16.22293 163.9612       8.659274  167.2678       8.771045  -8.583252      32.59853 
1 1 1 14  4   17 o 196.0976 25.63587 7.636957       2.991359  9.857100       3.099177  -26.11012      52.78389 
1 1 1 14  4   18 o 707.5751 15.00968 107.0436       6.519332  113.9657       6.659090  -22.20703      30.15556 
1 1 1 14  4   19 o 658.9442 14.57491 95.18712       5.958339  96.55762       5.956849  -4.767334      29.30094 
1 1 1 14  4   20 o 196.8596 23.49868 7.889242       2.861276  9.658260       2.767028  -21.75464      49.06753 
1 1 1 14  4   21 o 330.3979 15.16051 26.90157       3.266534  22.13013       2.954691  32.23517       30.62747 
1 1 1 14  4   22 o 221.8633 19.03523 9.569592       2.640417  12.58108       2.550811  -32.69318      40.00787 
1 1 1 14  4   23 o 336.6437 14.55501 25.12340       3.100537  25.58795       2.968374  -3.807343      29.53971 
1 1 1 14  4   24 o 106.4341 38.21332 0.000000       0.000000  2.654585       2.269499  ?              ?        
1 1 1 14  4   25 o 204.6306 19.63545 9.219087       2.425862  10.17440       2.499611  -10.47806      41.15108 
1 1 1 14  4   26 f 227.5462 35.84127 0.000000       0.000000  13.62096       3.459076  ?              ?        
1 1 1 14  4   27 f 102.6074 32.55403 2.399592       2.725624  2.953402       2.062702  -4.274452      54.56234 
1 1 1 14  4   28 o 84.59128 32.24344 1.934184       2.975121  1.504673       1.999702  11.03428       53.49393 
1 1 1 14  5   0  o 458.8441 17.98189 45.37626       5.025891  47.83032       5.194870  -12.02179      36.19214 
1 1 1 14  5   1  o 202.3732 30.57578 11.14491       3.699289  7.485517       3.738591  41.14226       61.82987 
1 1 1 14  5   2  o 326.6144 20.76594 24.55404       4.171437  22.76274       4.199728  12.74539       42.07568 
1 1 1 14  5   3  o 613.2584 16.41515 80.74915       6.131429  85.23306       6.352406  -16.50311      32.94812 
1 1 1 14  5   4  o 106.4491 38.75958 4.965774       3.331848  -0.6909475     3.301641  53.59349       62.11321 
1 1 1 14  5   5  f 343.6875 19.15228 25.74636       4.029193  26.55989       4.105993  -5.334381      38.65438 
1 1 1 14  5   6  o 588.9631 15.96740 74.82049       5.770739  78.18662       5.887504  -12.95850      32.04861 
1 1 1 14  5   7  o 485.9370 16.40321 51.22386       4.887865  53.00364       4.988558  -8.274872      32.95415 
1 1 1 14  5   8  o 314.8189 19.25939 21.98110       3.728425  21.94249       3.758035  0.3365479      38.93531 
1 1 1 14  5   9  o 631.5797 22.56212 0.000000       0.000000  88.38971       6.240379  ?              ?        
1 1 1 14  5   10 o 267.2567 31.38030 19.67086       5.151008  12.74003       5.057060  60.93347       65.73580 
1 1 1 14  5   11 o 462.7820 22.53583 48.83243       6.555317  46.23653       6.349568  12.58658       45.47679 
1 1 1 14  5   12 o 974.4418 20.69244 207.0935       10.87954  215.1940       15.18751  -13.32965      43.76828 
1 1 1 14  5   13 o 1132.511 27.52321 281.3472       19.21596  289.3158       19.45753  -15.76257      55.56046 
1 1 1 14  5   14 o 207.7794 49.32248 10.31350       4.427532  0.000000       0.000000  ?              ?        
1 1 1 14  5   15 o 853.9368 16.17966 161.1753       8.610687  160.6549       8.531078  1.291077       32.50204 
1 1 1 14  5   16 o 160.1698 29.89915 5.653681       2.863960  6.209009       2.858943  -7.330353      57.87497 
1 1 1 14  5   17 o 109.6245 36.52827 3.024070       2.929050  2.195023       2.890312  9.417114       60.87302 
1 1 1 14  5   18 o 243.8150 20.40318 11.64788       3.044862  14.90513       3.070453  -31.21675      42.04477 
1 1 1 14  5   19 o 234.5347 20.85570 11.32184       2.984422  13.33525       3.021150  -20.03590      42.89618 
1 1 1 14  5   20 f 363.4357 14.98841 27.36678       3.393274  31.12911       3.350800  -23.93164      30.30402 
1 1 1 14  5   21 o 158.5637 26.71009 6.081145       2.702710  5.666916       2.393294  4.642517       53.41028 
1 1 1 14  5   22 o 185.1131 22.53258 6.810206       2.650955  8.745018       2.431566  -26.27071      47.71306 
1 1 1 14  5   23 o 226.1980 21.32226 12.76451       3.893802  11.31590       2.478049  4.101563       48.82790 
1 1 1 14  5   24 o 119.8878 30.35509 1.354593       2.350074  5.464036       2.178373  -54.83398      50.77851 
1 1 1 14  5   25 o 107.2465 31.72602 1.653114       2.337778  3.985121       2.186962  -29.31490      52.90623 
1 1 1 14  5   26 o 253.6549 16.34137 12.60804       2.457938  17.17348       2.670441  -40.36368      33.76742 
1 1 1 14  5   27 o 54.29748 25.08126 -2.182203      2.041808  0.3973288      1.920860  -16.13658      42.60489 
1 1 1 14  5   28 o 75.44125 29.86521 0.3640655      2.245889  1.663612       1.935744  -9.560341      48.33887 
1 1 1 14  5   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  6   0  o 306.4393 22.19976 23.63371       4.261831  18.39580       4.124264  39.42935       45.40873 
1 1 1 14  6   1  o 962.4231 18.75430 200.8726       11.09834  208.4385       11.29736  -17.74731      37.69384 
1 1 1 14  6   2  o 725.4766 16.98889 117.4344       7.688540  114.6724       7.603138  8.622131       34.13446 
1 1 1 14  6   3  o 1044.558 19.16160 254.4924       12.80385  228.6392       12.06133  55.76349       38.49059 
1 1 1 14  6   4  o 116.7970 39.41318 4.554467       3.375552  1.194918       3.396895  33.39316       64.74335 
1 1 1 14  6   5  o 360.7553 18.68567 30.62784       4.195405  26.98669       4.139760  23.16034       37.72561 
1 1 1 14  6   6  o 536.4225 16.15684 59.90742       5.230227  67.38276       5.521887  -31.56653      32.43867 
1 1 1 14  6   7  o 253.1809 22.95807 14.45756       3.511869  14.13081       3.623730  3.317535       47.03543 
1 1 1 14  6   8  o 823.7050 16.72835 152.3810       8.585953  146.7389       8.509636  15.59491       33.59017 
1 1 1 14  6   9  o 393.7602 17.00580 32.65958       4.043575  35.98755       4.252304  -19.11481      34.21672 
1 1 1 14  6   10 o 275.3594 30.55565 18.23876       5.078034  15.90346       5.186662  20.41757       63.43342 
1 1 1 14  6   11 o 526.5818 22.73406 54.50283       6.949709  70.64954       7.972266  -68.48700      45.83617 
1 1 1 14  6   12 f 260.7492 21.69906 14.65312       3.406368  15.66770       3.554354  -8.720657      44.24766 
1 1 1 14  6   13 o 576.2388 29.97123 0.000000       0.000000  74.25281       7.549412  ?              ?        
1 1 1 14  6   14 o 549.2736 22.25533 76.53760       7.602878  57.55534       7.532139  79.57901       45.32486 
1 1 1 14  6   15 o 574.7675 14.77580 70.20454       5.230273  75.61194       5.297979  -21.45239      29.67254 
1 1 1 14  6   16 o 294.4462 18.02223 17.82355       3.269088  20.68437       3.282979  -22.45508      36.57940 
1 1 1 14  6   17 o 309.1314 17.53788 19.78048       3.393750  22.53806       3.306511  -20.81519      35.61112 
1 1 1 14  6   18 o 460.9149 14.65239 46.39992       4.197484  47.38011       4.170680  -4.912903      29.44372 
1 1 1 14  6   19 o 154.7345 43.51800 0.000000       0.000000  5.715057       3.076620  ?              ?        
1 1 1 14  6   20 o 618.0183 13.93961 81.43577       5.263381  87.54343       5.428487  -22.33429      28.03587 
1 1 1 14  6   21 o 217.9352 19.10278 11.08592       2.630089  10.31331       2.488598  7.688354       39.23823 
1 1 1 14  6   22 o 148.6997 27.70747 6.855726       2.575852  3.852852       2.361614  41.55440       53.08991 
1 1 1 14  6   23 o 264.5379 16.13160 13.72565       2.688522  17.56065       2.583768  -34.44746      33.40088 
1 1 1 14  6   24 o 148.0622 25.38185 6.426011       2.378193  4.284976       2.135998  29.95447       50.42433 
1 1 1 14  6   25 o 79.33246 30.24710 1.072058       2.166939  1.345048       1.977632  -0.7780533     49.57988 
1 1 1 14  6   26 o 221.4529 16.58256 11.64524       2.324489  10.85238       2.203248  7.362671       34.27802 
1 1 1 14  6   27 o 181.2574 19.40116 6.146478       2.114856  9.376083       2.181764  -42.22815      41.73154 
1 1 1 14  6   28 o 142.7932 24.23195 5.757030       2.306405  4.595128       1.893624  12.71893       49.50875 
1 1 1 14  6   29 o 98.50044 29.55342 1.016834       1.933919  4.233071       1.964574  -43.11895      48.09837 
1 1 1 14  7   0  o 596.4316 17.27357 77.27610       6.307850  80.01814       6.463231  -10.31439      34.71925 
1 1 1 14  7   1  o 448.3819 18.44040 52.25983       5.273948  37.58337       4.975255  74.65005       37.37260 
1 1 1 14  7   2  o 820.5978 17.78484 147.8476       9.088681  149.3482       9.017906  -4.274719      35.74405 
1 1 1 14  7   3  o 361.7878 19.43297 30.32521       4.403019  27.70987       4.289658  16.47208       39.22444 
1 1 1 14  7   4  o 167.6470 35.05894 5.126710       3.485308  7.978568       3.573350  -33.63443      65.11639 
1 1 1 14  7   5  o 173.4772 34.29311 8.473132       3.612125  5.520629       3.509081  34.72853       64.73507 
1 1 1 14  7   6  o 502.0608 16.53519 60.22610       5.323949  51.54291       4.978736  39.17316       33.21405 
1 1 1 14  7   7  o 156.9010 35.61945 5.782504       3.433243  5.671500       3.343110  1.527100       65.23962 
1 1 1 14  7   8  f 415.7534 17.28878 38.57823       4.459453  37.76013       4.438725  4.491028       34.77806 
1 1 1 14  7   9  o 536.1536 15.74213 61.42017       5.142736  65.45396       5.321782  -17.03033      31.60101 
1 1 1 14  7   10 f 269.5795 21.36772 16.13250       3.531961  16.19447       3.556211  -0.4805298     43.48776 
1 1 1 14  7   11 o 385.2544 24.71848 31.08548       5.735101  35.19031       6.028012  -24.08325      50.12942 
1 1 1 14  7   12 o 242.4721 32.68480 15.30148       4.889874  11.58397       4.697986  35.17123       67.18448 
1 1 1 14  7   13 o 313.2303 36.36275 0.000000       0.000000  22.34135       4.903257  ?              ?        
1 1 1 14  7   14 o 993.9508 25.33978 224.8468       15.85167  215.0132       15.38090  21.87451       51.09408 
1 1 1 14  7   15 f 347.2911 19.72297 27.39114       5.016899  26.44854       3.727648  3.458099       41.60337 
1 1 1 14  7   16 o 664.3819 14.94273 91.66518       5.960440  103.9450       6.377370  -41.67084      30.03050 
1 1 1 14  7   17 o 484.4947 14.71604 48.85320       4.337267  55.03903       4.502701  -28.99506      29.57642 
1 1 1 14  7   18 o 394.9209 15.38322 36.46432       3.866413  32.67168       3.664385  21.69635       30.94809 
1 1 1 14  7   19 o 400.5984 15.92857 35.95343       3.999767  35.10558       3.902724  4.679962       32.07628 
1 1 1 14  7   20 o 126.7682 32.54543 4.691566       2.656768  3.020733       2.495213  22.71829       57.28002 
1 1 1 14  7   21 o 249.3935 17.77130 12.53936       2.751038  15.25418       2.711931  -25.57817      36.50441 
1 1 1 14  7   22 o 247.9619 17.28559 15.83105       2.774714  12.11499       2.526934  33.69516       35.31074 
1 1 1 14  7   23 o 218.6536 18.29642 11.13757       2.534675  10.55501       2.389555  5.384323       37.71094 
1 1 1 14  7   24 o 126.6836 29.48128 6.070378       2.463609  2.416345       2.120932  51.00544       52.32201 
1 1 1 14  7   25 o 185.7814 20.16462 7.373194       2.302012  8.607951       2.271549  -16.27301      42.57426 
1 1 1 14  7   26 o 119.3406 27.49329 3.882291       2.015564  3.269631       1.971953  9.229607       50.43100 
1 1 1 14  7   27 o 162.5475 20.08521 6.492831       2.060533  6.057953       1.912146  4.491684       42.59761 
1 1 1 14  7   28 o 62.94014 27.47425 2.276425       1.847338  -3.090592      2.265959  36.67907       44.20135 
1 1 1 14  7   29 o 55.89878 24.75597 -0.4380129     1.715029  0.2773698      1.684578  -5.727226      41.07730 
1 1 1 14  8   0  o 436.0576 19.48306 39.94820       5.189326  44.41703       5.326920  -23.34030      39.28986 
1 1 1 14  8   1  o 501.9654 17.90041 52.92335       5.505288  58.66997       5.626484  -26.08688      36.03435 
1 1 1 14  8   2  o 633.8344 17.15440 90.19865       6.720822  87.25149       6.756474  10.70294       34.47273 
1 1 1 14  8   3  o 808.3462 17.59468 142.4753       8.722236  145.9660       8.926447  -9.641113      35.35912 
1 1 1 14  8   4  o 78.02601 34.66635 -0.3779238     3.260144  -1.271654      3.468220  2.719734       58.86671 
1 1 1 14  8   5  o 318.4802 20.53347 20.73752       3.907585  24.51162       4.175690  -26.87088      41.57315 
1 1 1 14  8   6  o 563.5445 16.57866 72.24757       5.870671  67.94922       5.711103  17.28900       33.28807 
1 1 1 14  8   7  o 177.7235 32.63931 7.026699       3.457226  7.504702       3.474392  -5.718155      63.38856 
1 1 1 14  8   8  o 607.6461 16.48812 78.01630       6.081526  85.12175       6.345294  -26.47168      33.09792 
1 1 1 14  8   9  o 229.6450 29.78863 12.35367       5.029775  11.71453       3.604725  2.430817       63.89149 
1 1 1 14  8   10 o 286.5755 21.22053 20.41737       3.788755  16.18407       3.703850  34.17184       43.35969 
1 1 1 14  8   11 o 552.6619 16.21069 64.76099       5.483748  70.10213       5.621755  -21.97186      32.55392 
1 1 1 14  8   12 o 560.6928 22.34315 72.72920       7.812249  66.77191       7.700156  24.25641       45.05308 
1 1 1 14  8   13 o 329.0603 28.29915 24.25026       6.121465  24.34251       5.389159  -2.758484      58.62051 
1 1 1 14  8   14 o 328.3513 25.71911 23.61404       5.334800  24.60381       5.068937  -7.782166      52.68835 
1 1 1 14  8   15 o 103.8737 42.48136 -1.477700      4.379070  3.522806       4.312587  -34.04969      69.92050 
1 1 1 14  8   16 o 421.6303 15.82607 40.78892       4.184902  37.90866       4.080861  15.50217       31.84760 
1 1 1 14  8   17 o 91.26904 36.26757 1.290025       3.044066  0.8552000      3.094324  3.139481       60.01107 
1 1 1 14  8   18 o 129.0826 39.69797 4.011323       4.092347  3.725869       3.089882  9.624130       68.01060 
1 1 1 14  8   19 o 490.5392 15.53088 48.50715       4.608952  58.41151       4.839396  -45.86118      31.26837 
1 1 1 14  8   20 o 229.9340 20.73209 12.43557       3.041880  11.40309       2.821260  9.646774       42.62273 
1 1 1 14  8   21 o 279.0631 16.96830 16.48228       2.867214  18.35641       2.983185  -15.16153      34.43998 
1 1 1 14  8   22 o 147.4046 27.51540 3.250731       2.420774  7.022451       2.426128  -52.75858      51.98351 
1 1 1 14  8   23 o 205.0733 27.47993 0.000000       0.000000  9.912353       2.409714  ?              ?        
1 1 1 14  8   24 o 168.5960 21.85039 5.141287       2.222145  8.167883       2.240962  -42.23897      45.97402 
1 1 1 14  8   25 o 81.04655 30.94076 0.9112409      2.228874  1.617827       2.103459  -6.082924      50.59111 
1 1 1 14  8   26 o 92.98739 31.06996 1.423404       2.198635  2.747682       2.021845  -15.01249      51.06631 
1 1 1 14  8   27 o 117.6069 27.70847 3.726988       2.076383  3.392953       1.910028  4.304787       50.65322 
1 1 1 14  8   28 o 96.76952 30.71043 2.483371       2.049378  2.483800       2.091177  -0.1078186     51.22819 
1 1 1 14  8   29 o 174.7956 16.96956 7.916680       1.795760  6.390610       1.838746  21.81592       36.34914 
1 1 1 14  9   0  o 527.3063 18.78737 63.59726       6.299530  59.61400       5.983673  16.86023       37.80815 
1 1 1 14  9   1  o 164.2369 39.83129 4.405417       4.098275  8.154618       3.938009  -39.55888      70.43393 
1 1 1 14  9   2  o 438.3866 18.49156 46.03532       5.142586  39.39042       4.900761  34.40445       37.27218 
1 1 1 14  9   3  o 280.9829 23.36181 16.98254       4.050195  18.28411       4.020272  -10.92245      47.79152 
1 1 1 14  9   4  o 278.9335 23.53004 14.16272       3.964766  20.81511       4.105785  -55.53223      48.92616 
1 1 1 14  9   5  o 625.8010 16.74151 87.89052       6.537847  84.96725       6.449404  10.59314       33.61631 
1 1 1 14  9   6  o 772.5491 17.07162 133.3112       8.258291  129.9355       8.106230  9.834839       34.29477 
1 1 1 14  9   7  o 481.4958 17.03211 46.29144       4.910154  56.78963       5.266932  -49.44473      34.25135 
1 1 1 14  9   8  o 122.0416 39.00368 2.557051       3.342039  4.035045       3.326260  -15.42648      65.30527 
1 1 1 14  9   9  o 209.1211 28.22310 11.94186       3.648441  8.022668       3.492254  43.06250       57.90757 
1 1 1 14  9   10 o 275.9978 22.03036 15.98980       3.763674  17.90637       3.717686  -16.31531      45.01210 
1 1 1 14  9   11 o 427.9493 17.07266 40.77198       4.552532  40.14071       4.494254  3.306549       34.34203 
1 1 1 14  9   12 o 565.9879 16.51891 70.55145       5.884312  70.84150       5.706735  -1.395325      33.19841 
1 1 1 14  9   13 o 216.3601 37.10968 13.00537       4.807145  8.689327       4.795612  43.45691       73.01061 
1 1 1 14  9   14 f 384.3309 24.30796 29.04717       5.491172  37.79865       6.085607  -51.15115      49.39549 
1 1 1 14  9   15 o 191.0615 39.61459 7.091799       4.587658  10.08147       4.495462  -31.01134      74.18858 
1 1 1 14  9   16 o 141.0007 43.59341 5.374701       4.269474  3.920738       4.131279  14.60922       73.52757 
1 1 1 14  9   17 o 269.2336 20.80350 12.99166       3.404469  19.53331       3.492174  -56.62492      43.34175 
1 1 1 14  9   18 o 443.4222 15.44130 39.80201       4.157588  47.41645       4.329353  -39.08868      31.09054 
1 1 1 14  9   19 o 341.5322 18.31213 23.01732       3.894217  28.75693       3.837239  -39.06235      37.37303 
1 1 1 14  9   20 o 214.2031 22.82130 11.36986       3.102672  9.533914       2.881091  19.22337       47.27459 
1 1 1 14  9   21 o 90.65308 34.09488 -1.036881      2.578164  4.147748       2.630145  -53.15971      54.20008 
1 1 1 14  9   22 o 131.2761 31.36237 2.628877       2.541850  5.653059       2.496521  -40.39864      55.27963 
1 1 1 14  9   23 o 163.6634 25.95216 3.261092       2.517607  9.524576       2.577339  -82.62575      50.58009 
1 1 1 14  9   24 o 70.46423 30.20455 -0.6200699     2.367795  1.065921       2.352316  -13.71629      49.99312 
1 1 1 14  9   25 o 81.59605 31.33135 1.790133       2.374823  0.9077916      2.103700  12.03955       51.46059 
1 1 1 14  9   26 o 93.50610 32.19008 3.534994       2.386720  1.042609       2.152563  30.15067       52.69828 
1 1 1 14  9   27 o 212.3049 19.20774 11.97459       2.548058  9.326405       2.458858  28.98721       40.89099 
1 1 1 14  9   28 o 104.1090 30.16133 3.408944       2.144996  2.452890       1.984121  12.85342       51.53127 
1 1 1 14  9   29 o 214.8532 17.55764 13.03959       2.339712  8.787506       2.300109  47.41400       38.08270 
1 1 1 14  10  0  o 263.6332 30.25240 20.43180       5.016060  11.61664       4.713738  77.72894       63.63649 
1 1 1 14  10  1  o 276.9713 26.28109 20.83268       4.589630  13.97036       4.343263  57.56638       54.79641 
1 1 1 14  10  2  o 313.8197 23.59319 22.98246       4.497601  20.92358       4.623463  15.62985       48.22354 
1 1 1 14  10  3  o 159.4032 38.09138 5.324054       3.610373  6.719528       3.829294  -16.20564      68.71165 
1 1 1 14  10  4  o 324.1973 20.90521 23.02681       4.154603  23.72940       4.209454  -4.898743      42.37309 
1 1 1 14  10  5  o 169.3756 46.90743 6.793636       3.604262  0.000000       0.000000  ?              ?        
1 1 1 14  10  6  o 164.6129 46.79523 0.000000       0.000000  6.377218       3.538031  ?              ?        
1 1 1 14  10  7  o 302.6955 21.13971 21.76956       3.992743  19.03141       3.897808  20.78427       42.94862 
1 1 1 14  10  8  o 114.6955 39.16120 0.3631805      3.362283  5.108758       3.325913  -46.63074      63.33944 
1 1 1 14  10  9  o 227.6390 26.11278 12.93673       3.728412  10.52151       3.521788  24.34047       53.92926 
1 1 1 14  10  10 o 237.4934 24.86732 15.33157       3.729229  10.29476       3.500163  49.20470       51.74048 
1 1 1 14  10  11 o 232.9923 25.57837 11.48922       3.654513  12.90592       3.618014  -14.49522      52.92377 
1 1 1 14  10  12 o 247.5136 23.48010 12.62804       3.598941  14.75775       3.526114  -20.50116      48.52094 
1 1 1 14  10  13 o 373.0068 18.22466 28.75727       4.209938  32.87937       4.198343  -25.49203      36.85970 
1 1 1 14  10  14 o 225.9030 35.34388 13.42403       4.773930  10.14930       4.807422  32.86978       71.36108 
1 1 1 14  10  15 o 101.8668 42.14394 5.029330       4.256728  -3.651114      4.431569  57.01116       68.38984 
1 1 1 14  10  16 o 555.8652 21.89000 66.91550       7.500704  70.73447       7.566195  -15.68610      44.22609 
1 1 1 14  10  17 o 245.8662 34.18568 16.16915       5.113822  11.73781       5.033182  41.63176       70.45385 
1 1 1 14  10  18 o 306.4065 19.54633 18.96728       3.631007  22.96952       3.764203  -29.92175      39.72390 
1 1 1 14  10  19 o 277.9429 21.47066 18.12292       3.717802  16.52939       3.630085  13.09760       43.86731 
1 1 1 14  10  20 o 307.2965 18.60971 21.02503       3.565382  21.15833       3.497205  -1.232056      37.78984 
1 1 1 14  10  21 o 245.6328 20.76231 16.32547       3.196715  11.12952       3.074792  49.29234       43.45108 
1 1 1 14  10  22 o 299.4784 17.69346 19.88618       3.365049  20.39672       3.186843  -4.798584      36.12327 
1 1 1 14  10  23 o 113.2622 34.52698 0.9151509      2.632878  5.439023       2.658171  -52.96915      55.85244 
1 1 1 14  10  24 o 205.3624 22.89156 10.67186       2.944818  9.199697       2.794387  15.72202       48.46674 
1 1 1 14  10  25 o 111.2590 33.70196 5.281650       2.622581  1.352773       2.439274  47.55873       55.33650 
1 1 1 14  10  26 o 121.8010 33.37896 4.500036       2.629358  3.404231       2.564602  13.49512       57.87812 
1 1 1 14  10  27 o 86.95942 32.72359 1.111314       2.477188  2.421973       2.328234  -11.82761      52.84414 
1 1 1 14  10  28 o 95.68536 32.75091 4.713865       2.476838  0.6344844      2.222068  46.23186       52.64093 
1 1 1 14  10  29 o 49.05290 23.51485 -2.220592      2.392270  -1.144515      1.827776  3.033337       40.55471 
1 1 1 14  10  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  11  0  o 349.7690 23.24370 29.65535       5.079545  25.14846       4.951982  29.60440       47.36983 
1 1 1 14  11  1  o 425.9130 22.23112 47.90256       6.081679  33.82502       5.648654  75.24139       45.23177 
1 1 1 14  11  2  o 133.8514 44.21707 7.905082       4.422250  0.5087849      4.124473  68.76711       71.13271 
1 1 1 14  11  3  o 718.4612 18.48935 111.0248       8.083771  117.4799       8.391697  -20.14508      37.16452 
1 1 1 14  11  4  o 212.6824 31.56525 10.07197       3.987020  10.65631       4.091594  -5.991806      64.23300 
1 1 1 14  11  5  o 388.8190 19.70381 34.43541       4.735600  32.65462       4.738238  10.56784       39.80289 
1 1 1 14  11  6  o 64.21877 30.81204 -2.854898      3.524326  -4.168771      3.563728  5.398285       54.57541 
1 1 1 14  11  7  o 372.8099 19.57175 26.98080       4.341627  35.33118       4.700391  -50.82080      39.59757 
1 1 1 14  11  8  o 375.8714 19.22459 28.08512       4.295464  35.11981       4.662086  -42.33859      38.82253 
1 1 1 14  11  9  o 177.6096 34.88711 11.50377       3.872241  3.804457       3.560347  86.06520       63.31112 
1 1 1 14  11  10 o 134.9320 40.42711 2.214764       3.626587  6.228818       3.672036  -41.87213      67.41241 
1 1 1 14  11  11 o 153.7454 37.62943 6.311707       3.577364  4.819795       3.541270  17.15973       67.27312 
1 1 1 14  11  12 o 310.8967 21.18427 20.98282       4.004567  22.09815       4.120096  -8.044617      43.00827 
1 1 1 14  11  13 o 286.4663 22.39501 14.79523       3.881501  22.13531       4.018054  -59.58032      46.58885 
1 1 1 14  11  14 f 339.4979 19.74418 24.75595       4.175671  26.48776       4.105487  -11.97342      40.03093 
1 1 1 14  11  15 o 246.5464 33.18350 17.41698       4.975528  10.62007       4.917530  64.03789       68.84799 
1 1 1 14  11  16 o 367.1796 26.07036 27.25745       5.829000  33.46756       5.972424  -39.05670      53.45799 
1 1 1 14  11  17 o 240.7335 41.62799 9.933973       6.143019  17.02032       5.850740  -64.20239      81.68410 
1 1 1 14  11  18 o 441.5005 26.95594 41.34529       7.481546  46.18402       7.220011  -26.40979      55.22464 
1 1 1 14  11  19 o 628.2907 16.22161 80.12685       6.123049  95.84930       6.530521  -56.46698      32.65505 
1 1 1 14  11  20 o 661.6288 15.84935 104.2077       6.722233  90.88754       6.307408  45.13635       31.95157 
1 1 1 14  11  21 o 230.8695 23.61648 14.83524       3.342130  9.542014       3.327094  54.74092       50.46601 
1 1 1 14  11  22 o 226.7073 21.74370 13.49053       3.036077  10.05280       3.004966  35.98042       45.82533 
1 1 1 14  11  23 o 105.3253 36.14366 2.025015       2.776816  3.290154       2.927786  -14.19370      59.65368 
1 1 1 14  11  24 o 232.6970 23.65790 11.71352       3.342234  13.86252       3.393375  -21.85432      50.42028 
1 1 1 14  11  25 o 151.2671 32.19890 4.513378       2.938949  7.151072       2.918292  -33.49680      60.01063 
1 1 1 14  11  26 o 215.5411 24.67496 12.45869       3.602032  10.46702       2.968595  13.04630       53.72311 
1 1 1 14  11  27 o 258.6747 19.17155 17.61020       3.207546  14.26774       2.921329  27.08168       40.36202 
1 1 1 14  11  28 o 108.8333 34.04165 2.456416       2.561615  4.214355       2.542736  -19.78088      56.37839 
1 1 1 14  11  29 f 58.19883 26.65472 -2.017846      2.225281  0.9680686      2.116933  -18.36553      44.39631 
1 1 1 14  11  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  12  0  f 704.6090 19.20175 114.6877       8.540954  106.2097       8.237183  26.97186       38.69370 
1 1 1 14  12  1  o 642.8630 18.97770 89.33759       7.501459  94.01942       7.619248  -16.50055      38.21447 
1 1 1 14  12  2  o 650.4710 19.98506 98.73317       8.206564  89.17622       7.910435  33.20892       40.23940 
1 1 1 14  12  3  o 303.0959 26.25533 20.78709       4.929878  20.41249       4.846787  2.657410       53.81575 
1 1 1 14  12  4  o 432.4905 21.04239 38.42386       5.505533  44.90274       5.759814  -34.02127      42.51083 
1 1 1 14  12  5  o 355.2352 22.86640 28.37338       5.016365  27.88419       5.007786  3.174500       46.40716 
1 1 1 14  12  6  o 272.8630 25.93102 15.26835       4.318470  18.23838       4.354673  -25.56647      53.62631 
1 1 1 14  12  7  o 373.8249 20.75972 33.21000       4.932888  29.15306       4.668237  24.46924       42.00029 
1 1 1 14  12  8  o 393.6388 28.31161 34.83010       4.855715  0.000000       0.000000  ?              ?        
1 1 1 14  12  9  o 354.8337 21.25644 25.79926       4.701483  30.16277       4.614380  -28.72137      43.30273 
1 1 1 14  12  10 o 234.3218 29.78394 15.50816       4.348222  9.785125       4.123787  56.39015       61.80213 
1 1 1 14  12  11 o 192.3239 34.90612 8.933392       4.069360  8.292979       3.955199  6.940933       68.21916 
1 1 1 14  12  12 o 331.1545 25.85911 25.31289       4.594055  23.30953       6.371508  20.29599       57.42638 
1 1 1 14  12  13 o 745.0841 17.51519 128.6367       8.279931  117.4773       7.922613  33.71576       35.25354 
1 1 1 14  12  14 o 615.2778 17.23520 86.99855       6.704260  80.86100       6.446648  22.41559       34.67060 
1 1 1 14  12  15 o 332.2619 25.36765 25.33599       4.555191  23.80680       6.191514  16.46460       55.58847 
1 1 1 14  12  16 o 209.0564 42.00219 10.76694       5.170241  9.957201       5.349733  8.085342       80.05154 
1 1 1 14  12  17 o 607.8606 23.21288 82.62567       8.655764  82.23075       8.820081  1.898315       46.93895 
1 1 1 14  12  18 o 318.6941 27.92088 18.62113       4.430671  37.00754       7.893768  -111.3746      59.16146 
1 1 1 14  12  19 o 323.8596 31.28147 27.87265       6.122841  20.18014       6.293108  58.04019       66.90428 
1 1 1 14  12  20 o 78.81639 35.65220 0.6406617      4.600469  -1.967132      3.221611  32.46107       62.79795 
1 1 1 14  12  21 o 340.8009 19.02178 26.19650       4.072544  26.06364       3.941392  0.3168030      38.74925 
1 1 1 14  12  22 o 172.4927 36.26153 8.270134       3.671715  6.452262       3.847762  21.23820       68.32619 
1 1 1 14  12  23 o 166.4215 33.72466 8.394673       3.360394  5.441901       3.363925  35.30743       63.86670 
1 1 1 14  12  24 o 147.9524 35.07310 6.941542       3.125805  4.429296       3.215286  30.05009       63.13987 
1 1 1 14  12  25 o 89.16705 36.52252 -0.1974722     3.504320  2.511286       2.992075  -15.40314      58.92079 
1 1 1 14  12  26 o 106.0817 43.14559 0.000000       0.000000  2.815381       3.148420  ?              ?        
1 1 1 14  12  27 o 75.77849 32.69117 1.865324       2.869697  -0.4221953     2.732208  17.13924       53.21415 
1 1 1 14  12  28 o 70.02974 31.25500 -0.5669478     2.942427  0.6549684      2.612365  -4.342537      51.01673 
1 1 1 14  12  29 o 107.5598 32.56621 3.101477       2.390142  3.606144       2.328960  -6.163307      54.60378 
1 1 1 14  12  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  13  0  o 244.7553 31.77670 12.25893       4.625319  15.61197       4.801142  -31.43347      66.20115 
1 1 1 14  13  1  o 373.1703 23.01941 30.02451       5.292404  32.40663       5.313092  -14.77875      46.86420 
1 1 1 14  13  2  o 387.0616 22.63985 31.14223       5.387468  35.84598       5.437172  -28.05609      46.05374 
1 1 1 14  13  3  o 286.5298 28.75213 17.81580       5.000477  19.34019       5.083399  -12.29398      59.50734 
1 1 1 14  13  4  o 587.3978 19.66166 75.65435       7.095490  77.24903       7.214233  -6.035645      39.58469 
1 1 1 14  13  5  o 82.24135 37.55251 -2.955082      4.219292  -0.6440849     4.307607  -13.47115      64.47876 
1 1 1 14  13  6  o 390.3982 22.44236 32.56163       5.254524  35.46169       5.584560  -16.44266      45.45100 
1 1 1 14  13  7  o 512.7711 18.98299 58.75875       6.082496  57.76647       5.974428  4.257324       38.23412 
1 1 1 14  13  8  o 636.4859 18.07963 90.53307       7.139620  88.80678       7.122539  6.194153       36.36733 
1 1 1 14  13  9  o 530.7664 18.35173 66.07957       6.219578  59.14849       5.862506  29.31818       36.95057 
1 1 1 14  13  10 o 243.7794 28.86346 16.40845       4.519097  11.13495       4.075572  49.12883       59.88669 
1 1 1 14  13  11 o 169.1645 39.88532 3.965057       3.993133  10.01299       4.252683  -64.10843      70.00258 
1 1 1 14  13  12 o 631.8103 18.09879 84.99959       6.936656  92.18077       7.245545  -25.50922      36.42232 
1 1 1 14  13  13 o 184.0147 38.37922 7.189486       4.196247  8.844664       4.282876  -17.78426      72.10584 
1 1 1 14  13  14 o 370.8544 22.40654 31.06889       5.201185  30.35047       5.062713  4.125824       45.47424 
1 1 1 14  13  15 o 182.8162 43.81818 7.624837       4.072479  9.041675       6.614918  -16.29425      82.48264 
1 1 1 14  13  16 o 114.0146 41.69976 3.516217       3.796744  1.475761       3.895483  16.66602       68.58550 
1 1 1 14  13  17 o 151.8254 47.89587 9.758200       4.390480  -2.892584      6.107468  82.58065       73.27377 
1 1 1 14  13  18 o 235.9825 37.92895 16.65959       5.388627  9.722725       5.339955  65.23161       75.95463 
1 1 1 14  13  19 o 306.3116 26.85832 25.37847       4.693523  15.96926       5.507030  79.40640       61.24239 
1 1 1 14  13  20 o 393.9173 37.36055 31.17610       8.569285  44.13969       9.550500  -71.85773      80.02254 
1 1 1 14  13  21 o 172.3181 61.33371 6.175427       7.683048  11.13378       8.964066  -28.93796      99.85439 
1 1 1 14  13  22 o 118.0637 40.94068 3.863030       3.682231  2.921212       3.636786  8.709007       67.31622 
1 1 1 14  13  23 f 204.9153 32.06412 8.474120       3.934428  12.31142       3.950115  -42.43430      65.99441 
1 1 1 14  13  24 o 106.6872 39.24632 0.5820565      3.454709  5.004369       3.374276  -36.97779      62.75592 
1 1 1 14  13  25 o 177.8244 31.41204 8.388449       3.424023  7.785714       3.258762  5.448303       63.45895 
1 1 1 14  13  26 o 77.05912 33.76331 2.098740       3.260124  -0.9465432     2.932233  22.56837       55.57827 
1 1 1 14  13  27 o 81.29662 35.19239 0.4329888      3.366653  1.428462       3.172310  -4.734825      56.53955 
1 1 1 14  13  28 o 93.65499 36.12714 -0.6381663     3.130582  4.911952       2.832668  -43.06546      56.19390 
1 1 1 14  13  29 o 197.2862 23.30602 7.250142       2.809246  12.42529       2.785326  -65.19193      51.91691 
1 1 1 14  13  30 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  14  0  o 83.30954 37.34413 0.5858192      4.027504  -2.310984      3.953981  17.47976       63.12212 
1 1 1 14  14  1  o 314.2300 24.80316 25.46433       4.856133  19.39219       4.737154  44.98914       51.47030 
1 1 1 14  14  2  o 289.2070 26.18514 17.38818       4.631262  20.53068       4.662477  -25.58163      54.30907 
1 1 1 14  14  3  o 605.4343 19.10361 82.12615       7.168787  80.73781       7.162490  5.259216       38.51055 
1 1 1 14  14  4  o 203.3737 35.56256 10.69977       4.309194  8.582348       4.337321  22.70059       70.10558 
1 1 1 14  14  5  o 90.33743 40.35556 -7.845989      4.526771  6.178926       4.712714  -83.82407      67.82483 
1 1 1 14  14  6  o 369.8529 22.42751 27.25669       4.933064  34.23639       5.332876  -42.66092      45.50871 
1 1 1 14  14  7  o 103.4865 41.48447 4.495585       4.002942  -2.040523      4.100016  47.71391       67.41747 
1 1 1 14  14  8  o 146.8228 42.78305 5.409621       4.112578  4.682356       4.155294  7.004852       73.17723 
1 1 1 14  14  9  o 363.6149 21.72148 29.09323       4.828830  29.80209       4.926883  -4.284180      44.01485 
1 1 1 14  14  10 o 180.8502 39.35636 5.441522       4.381019  9.826626       4.203452  -45.94072      71.82355 
1 1 1 14  14  11 o 107.7953 42.58454 7.457039       4.298006  -3.717288      4.123340  86.59757       66.82121 
1 1 1 14  14  12 o 279.5711 26.59615 17.30700       4.607913  17.91474       4.507563  -5.499451      54.89589 
1 1 1 14  14  13 o 425.4077 20.28463 38.32215       5.269574  42.23581       5.408066  -20.90921      40.99218 
1 1 1 14  14  14 o 313.4679 24.82042 22.39058       4.985056  21.76801       4.610781  3.440521       50.89842 
1 1 1 14  14  15 o 215.0562 47.91090 11.20495       4.403687  0.000000       0.000000  ?              ?        
1 1 1 14  14  16 o 510.0324 31.03455 0.000000       0.000000  59.06479       6.910097  ?              ?        
1 1 1 14  14  17 o 229.5882 36.37165 11.76874       4.884288  13.08434       5.140639  -11.85417      73.82389 
1 1 1 14  14  18 o 208.1160 38.43940 13.39428       4.749786  7.315931       4.810211  61.15848       73.79768 
1 1 1 14  14  19 o 234.5647 40.10832 16.90445       5.610056  9.799804       5.642920  65.92880       79.33414 
1 1 1 14  14  20 o 292.8709 31.58254 19.83374       5.500939  20.62037       5.805584  -4.026184      67.11600 
1 1 1 14  14  21 o 134.8711 50.62062 5.510260       4.361584  -2.652952      10.98944  5.300690       85.02103 
1 1 1 14  14  22 o 187.6152 67.49315 10.85974       9.456733  13.12296       10.69258  -8.598343      106.9884 
1 1 1 14  14  23 o 106.9772 41.80207 0.6443931      3.950159  4.715626       4.086618  -29.93167      67.31160 
1 1 1 14  14  24 o 107.8281 40.62353 2.496296       3.638059  3.376151       3.764937  -7.421165      65.58972 
1 1 1 14  14  25 o 96.40929 38.23598 6.578106       3.604116  -1.471964      3.235215  64.50047       60.90284 
1 1 1 14  14  26 o 91.84756 36.69317 4.765274       3.408972  -0.9654796E-01 2.955234  39.82416       59.30038 
1 1 1 14  14  27 o 156.6465 36.13492 6.591200       3.764583  7.529526       3.186669  -17.09172      66.46539 
1 1 1 14  14  28 o 89.96575 35.84967 3.201850       3.182874  1.391124       2.856922  14.62418       57.07729 
1 1 1 14  14  29 f 158.0201 32.19402 6.838900       3.240207  7.481637       2.887227  -14.01674      62.50225 
1 1 1 14  15  0  o 119.0171 45.21702 4.160947       4.596743  1.610759       4.616186  18.41446       73.75080 
1 1 1 14  15  1  o 105.6785 43.31079 3.717813       4.560789  -0.8610559     4.497360  30.86334       71.03841 
1 1 1 14  15  2  o 127.4709 45.30347 6.361367       4.569842  0.9768617      4.432266  44.46062       73.61913 
1 1 1 14  15  3  o 288.0681 28.52178 18.93483       5.080584  18.99916       4.980610  -1.045868      59.39358 
1 1 1 14  15  4  o 258.1654 31.65408 16.05404       4.949647  14.63969       4.977069  13.17131       66.10828 
1 1 1 14  15  5  o 91.99696 40.91119 1.534832       4.493137  -3.784627      4.914297  23.71498       68.75340 
1 1 1 14  15  6  o 532.9567 20.80298 59.72918       6.547740  67.46507       7.231805  -31.77277      42.03748 
1 1 1 14  15  7  o 89.73692 40.92765 -0.1150347     4.937063  -3.994320      5.159439  16.05821       69.83744 
1 1 1 14  15  8  o 393.8934 25.27928 38.51944       6.222204  31.17496       6.068939  42.95184       51.66322 
1 1 1 14  15  9  o 428.9901 22.40532 41.82269       5.945270  40.20137       5.938027  8.721497       45.36525 
1 1 1 14  15  10 o 117.4355 45.42811 0.4987586      4.706285  3.988019       4.706789  -25.36243      74.58004 
1 1 1 14  15  11 o 326.0625 27.50641 26.50700       5.625567  21.60626       5.404476  34.56665       56.67658 
1 1 1 14  15  12 o 302.6581 29.24942 18.70441       5.321645  22.96595       5.530562  -32.52567      60.69925 
1 1 1 14  15  13 o 121.1685 47.52808 2.378942       5.143925  2.215157       5.276485  -0.7192993E-01 78.28054 
1 1 1 14  15  14 o 457.1972 32.84858 47.79989       12.43487  47.58263       7.695261  -20.14407      78.11562 
1 1 1 14  15  15 o 117.9618 57.99835 0.000000       0.000000  -17.56164      10.46408  ?              ?        
1 1 1 14  15  16 o 159.7847 46.33612 6.454549       4.769757  6.017329       4.954318  3.399078       79.34299 
1 1 1 14  15  17 o 449.1037 22.34336 50.87531       6.218699  39.87500       6.191498  56.87891       45.81294 
1 1 1 14  15  18 o 285.9976 29.08062 18.29940       5.032032  19.53891       5.144902  -9.670868      60.99626 
1 1 1 14  15  19 o 486.1694 21.30343 53.48258       6.248796  53.30087       6.582434  2.427704       43.46132 
1 1 1 14  15  20 o 170.5308 42.82580 6.842819       4.414743  8.231900       4.640491  -13.24229      76.51012 
1 1 1 14  15  21 o 133.1752 47.41999 6.687699       4.919247  2.397459       4.944598  31.38040       76.73524 
1 1 1 14  15  22 o 158.9133 47.27077 7.505075       5.019974  6.799196       4.986201  5.820282       79.88318 
1 1 1 14  15  23 o 126.6637 58.37088 6.336061       10.14213  -1.220177      11.18589  15.41222       90.46318 
1 1 1 14  15  24 o 161.6918 65.30857 5.438036       10.23027  16.33943       10.01494  -36.80042      98.34038 
1 1 1 14  15  25 o 140.3333 42.20978 4.947156       3.933456  6.989161       4.012225  -18.06816      70.57904 
1 1 1 14  15  26 o 80.95969 36.15140 0.2588447      3.847853  0.7376553      3.569852  -0.5785904     58.28154 
1 1 1 14  15  27 o 170.6822 33.30176 6.898965       3.527569  9.300770       3.284030  -31.78125      65.01237 
1 1 1 14  15  28 o 84.60706 34.97305 1.830471       3.223465  1.833642       2.794701  1.668991       55.33320 
1 1 1 14  15  29 o 78.03201 33.94184 0.5064656      3.309854  1.793389       2.871283  -5.310898      53.56120 
1 1 1 14  16  0  o 183.0254 66.38122 10.32896       9.949872  9.869675       9.496209  2.355713       106.2041 
1 1 1 14  16  1  o 157.8604 63.55790 6.847470       9.844933  4.987855       9.283876  9.586411       101.7703 
1 1 1 14  16  2  o 106.8537 44.78701 -0.6524747     5.018970  2.916651       4.974448  -20.76906      73.59723 
1 1 1 14  16  3  o 99.36636 43.10497 2.293790       4.966998  -1.954967      4.873073  24.66885       71.69756 
1 1 1 14  16  4  o 363.1180 26.44612 31.99943       5.885590  27.95597       5.947171  26.53964       54.65678 
1 1 1 14  16  5  o 529.9713 22.09852 64.96347       7.173936  60.87445       7.326461  18.36755       44.88105 
1 1 1 14  16  6  o 320.4611 30.23125 24.08915       5.799437  22.86129       6.088316  10.58862       63.14532 
1 1 1 14  16  7  o 181.8533 46.86045 5.932979       5.106799  10.71145       5.560332  -43.90733      82.15326 
1 1 1 14  16  8  o 244.6332 38.19008 10.11472       5.525085  18.26300       5.690817  -74.03725      76.77458 
1 1 1 14  16  9  o 252.3228 36.80254 13.49451       5.442322  16.39276       5.752205  -25.18460      75.65446 
1 1 1 14  16  10 o 178.5615 48.09941 6.024895       5.330585  9.728467       5.569992  -33.25893      83.49526 
1 1 1 14  16  11 o 343.2714 29.26595 27.24591       6.172698  26.28897       6.172240  6.588135       60.43950 
1 1 1 14  16  12 o 140.7825 49.33048 0.4973112      5.212752  8.609391       5.434837  -62.78325      79.53557 
1 1 1 14  16  13 o 185.9926 46.47182 10.07957       5.334204  6.880070       5.357886  29.29205       82.47350 
1 1 1 14  16  14 o 132.5519 55.11998 0.000000       0.000000  2.060189       5.289101  ?              ?        
1 1 1 14  16  15 f 88.90352 42.28207 -5.743186      4.941941  -0.1876185     10.93648  -69.74931      84.76270 
1 1 1 14  16  16 o 102.3096 44.12069 5.144378       5.087202  -4.596973      5.100089  54.94466       72.82195 
1 1 1 14  16  17 o 99.63086 43.05953 3.225333       4.828126  -2.805114      4.917983  33.17054       71.26485 
1 1 1 14  16  18 o 209.4729 40.81425 12.17291       5.024617  9.523678       5.205612  26.78253       78.88557 
1 1 1 14  16  19 o 88.99588 40.06137 1.391279       4.678632  -2.918592      4.614240  22.42651       67.16065 
1 1 1 14  16  20 o 112.7945 48.00674 2.082761       4.463064  -1.209469      11.53047  -25.33644      84.36948 
1 1 1 14  16  21 o 120.2621 44.85161 6.615734       4.542590  0.6383650      4.431943  44.10978       71.92406 
1 1 1 14  16  22 o 115.2241 44.82070 4.116937       4.946231  2.750315       4.319139  11.27559       72.16023 
1 1 1 14  16  23 o 179.8815 44.77277 9.292742       4.996847  9.623416       4.955702  -3.293045      80.29105 
1 1 1 14  16  24 o 262.1366 34.13611 15.34266       5.227459  21.20580       5.633502  -47.19975      75.56651 
1 1 1 14  16  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  16  26 o 93.86025 41.86018 2.557261       9.077078  1.678580       3.790121  14.47775       68.55652 
1 1 1 14  16  27 o 162.4093 38.17360 8.139209       3.835850  8.003637       3.727409  -0.1442108     69.98360 
1 1 1 14  16  28 o 119.2036 39.87701 3.126763       3.483394  6.857903       3.450520  -30.67115      63.17854 
1 1 1 14  16  29 o 79.70554 34.55043 0.7234306      3.348190  2.207872       2.993088  -7.058846      53.99463 
1 1 1 14  17  0  o 274.6864 43.50085 19.90175       6.933067  18.69856       7.423272  15.07118       91.16756 
1 1 1 14  17  1  o 237.2831 45.44751 11.90826       6.129357  17.97252       6.817410  -47.26289      88.87051 
1 1 1 14  17  2  f 233.7503 71.79626 6.841060       10.87934  30.73344       12.02965  -117.9962      115.1845 
1 1 1 14  17  3  o 89.70889 41.43750 -6.425741      5.307743  2.541730       5.497336  -40.87344      70.97466 
1 1 1 14  17  4  o 102.9716 44.71949 -4.717061      5.007786  6.647040       5.667439  -68.80750      74.88792 
1 1 1 14  17  5  o 215.7453 45.60826 12.56098       5.760439  10.68490       6.077507  18.01265       86.08621 
1 1 1 14  17  6  o 172.4946 52.37783 7.350083       5.761428  7.926780       6.496639  -5.838699      88.73661 
1 1 1 14  17  7  o 110.6144 47.58386 0.3918176      5.575564  0.6554314      6.279877  -7.499542      78.99950 
1 1 1 14  17  8  o 278.8367 37.50423 17.44582       6.009629  19.51431       6.690420  -13.30441      78.75915 
1 1 1 14  17  9  o 121.8048 55.23134 0.000000       0.000000  -1.822905      6.379334  ?              ?        
1 1 1 14  17  10 o 178.5104 51.71156 7.565433       5.754873  8.586835       6.408097  -9.337158      88.72507 
1 1 1 14  17  11 o 127.6347 50.96282 4.720611       6.046962  0.4994222      6.130670  24.29964       83.25579 
1 1 1 14  17  12 o 212.2637 50.15855 9.622614       6.168114  13.50700       6.889654  -31.41277      91.28441 
1 1 1 14  17  13 o 163.7680 54.12507 6.386526       6.092474  7.001490       6.738574  -6.527374      89.96645 
1 1 1 14  17  14 o 156.6835 63.02536 0.000000       0.000000  4.856042       6.634962  ?              ?        
1 1 1 14  17  15 o 217.4685 48.50439 11.46767       6.010873  12.74205       6.818470  -8.325668      90.46575 
1 1 1 14  17  16 o 240.8423 43.99776 11.94031       6.008791  17.62924       6.711547  -45.87016      86.82037 
1 1 1 14  17  17 o 206.2093 48.52394 8.505428       5.855704  14.23409       6.384158  -47.17126      87.87845 
1 1 1 14  17  18 o 128.1801 49.31837 4.955142       5.341246  2.202937       5.730608  15.28796       79.71960 
1 1 1 14  17  19 o 78.79253 37.80656 -6.502990      4.975998  -0.8451524     5.790217  -27.59709      66.32381 
1 1 1 14  17  20 o 374.0058 27.18726 34.07482       6.218148  32.12212       6.311844  13.54248       57.41768 
1 1 1 14  17  21 o 253.8040 34.70514 16.40259       5.426975  16.39872       5.221010  -2.982300      75.33421 
1 1 1 14  17  22 o 89.37634 40.04950 0.4018801      4.648722  0.1181979      4.523656  2.215096       65.16258 
1 1 1 14  17  23 o 109.3761 43.55548 3.825633       4.387256  2.274242       4.485035  9.364151       69.33053 
1 1 1 14  17  24 o 94.50869 42.30365 0.7713546      4.824453  1.536613       5.430452  -5.969078      67.53854 
1 1 1 14  17  25 o 100.0236 42.30563 2.714053       4.599155  2.613671       4.450293  0.9082794      66.24799 
1 1 1 14  17  26 o 80.61307 38.76157 -2.641070      4.328689  6.603052       10.73837  -33.51266      67.69640 
1 1 1 14  17  27 o 87.55285 44.19578 -6.163048      8.054689  0.000000       0.000000  ?              ?        
1 1 1 14  17  28 o 92.29535 38.71489 4.704293       3.907053  1.194115       3.589133  19.52592       60.02421 
1 1 1 14  17  29 o 79.61874 37.17993 0.4790649      3.515203  4.108263       7.814300  -15.18538      59.65366 
1 1 1 14  18  0  o 131.6473 50.35116 4.071346       5.473937  4.786288       6.040199  -6.245239      81.10112 
1 1 1 14  18  1  o 160.4322 56.80973 10.18381       6.711295  3.970144       7.492275  35.36998       90.70164 
1 1 1 14  18  2  o 193.3750 58.08958 12.45774       7.224679  9.087279       7.870337  23.48090       97.16486 
1 1 1 14  18  3  o 121.3988 57.85993 -2.531481      11.35182  -6.869269      12.91112  2.375977       94.94039 
1 1 1 14  18  4  o 202.4409 75.49744 18.88293       11.88731  7.008320       13.73398  45.36708       117.2993 
1 1 1 14  18  5  o 280.0116 42.01310 18.57937       6.827032  20.56073       7.346774  -11.82065      88.35134 
1 1 1 14  18  6  o 139.5717 53.34035 7.899013       6.167419  0.1414859      6.738930  42.67636       85.36349 
1 1 1 14  18  7  o 119.5334 50.35807 0.1244135      6.075279  3.515151       6.706474  -21.63577      82.74792 
1 1 1 14  18  8  o 111.9564 48.52684 -0.7360054     5.919224  2.162481       6.582144  -19.21918      80.42435 
1 1 1 14  18  9  o 314.5022 36.76594 22.56803       6.769950  24.73517       7.339651  -12.16422      78.50262 
1 1 1 14  18  10 o 132.1796 52.11184 4.702805       6.015026  1.688235       6.606399  13.76555       84.67013 
1 1 1 14  18  11 o 123.9034 50.77244 6.183138       6.004853  -2.214302      6.465499  42.44701       82.07434 
1 1 1 14  18  12 o 117.8301 50.02959 2.595839       6.245553  -0.8774747E-01 6.494229  11.57751       82.04044 
1 1 1 14  18  13 o 126.1630 51.61663 4.396404       6.231584  0.4322987      6.622938  18.62636       83.90057 
1 1 1 14  18  14 o 151.0879 56.09345 4.607759       7.348352  6.341774       6.700077  -7.684326      90.94637 
1 1 1 14  18  15 o 95.92948 44.42037 -1.955745      5.983258  -2.751773      6.583965  -2.204582      74.88805 
1 1 1 14  18  16 o 140.5069 53.32594 4.766913       6.188782  4.730649       6.640444  -1.571793      86.28046 
1 1 1 14  18  17 o 153.4007 53.14241 4.769290       5.844968  8.463516       6.543754  -25.83340      86.91743 
1 1 1 14  18  18 o 150.3645 59.61621 6.171755       5.851002  0.000000       0.000000  ?              ?        
1 1 1 14  18  19 o 120.7740 49.97865 1.311557       5.797425  5.134634       6.474143  -22.30267      80.53751 
1 1 1 14  18  20 o 118.0357 48.92371 3.402747       5.657527  2.925492       6.098634  0.7351532      77.88330 
1 1 1 14  18  21 f 151.3118 60.13607 8.612883       5.967108  0.000000       0.000000  ?              ?        
1 1 1 14  18  22 o 99.98896 44.48022 1.305855       5.212560  1.045641       5.958483  -2.494041      71.24019 
1 1 1 14  18  23 f 84.15874 40.17070 -0.4352116     5.545930  -4.211824      6.226219  6.932220       65.72837 
1 1 1 14  18  24 o 77.55248 37.28396 -2.684224      5.374640  -1.888151      5.130410  -0.8273621     61.13457 
1 1 1 14  18  25 o 101.1294 42.70023 3.404391       4.685371  2.913707       4.509198  2.650040       66.08873 
1 1 1 14  18  26 o 81.54118 37.92893 0.6397599      4.870081  -0.4903502E-01 4.448596  4.247833       60.18611 
1 1 1 14  18  27 o 97.62428 43.16076 4.895588       5.039745  2.228139       5.256289  9.705482       64.89407 
1 1 1 14  18  28 o 101.7349 50.63642 0.000000       0.000000  8.751084       8.914783  ?              ?        
1 1 1 14  18  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  19  0  o 98.14443 45.48103 2.701730       6.280141  -5.995835      6.935959  25.36607       74.75835 
1 1 1 14  19  1  o 105.6588 47.63470 0.3018284      6.199109  -0.2575204E-01 7.083897  -3.909470      77.65691 
1 1 1 14  19  2  f 113.0502 49.88827 2.143327       6.591715  -0.1198416     7.125430  6.205116       80.70982 
1 1 1 14  19  3  o 107.0913 49.52817 -2.421564      7.465111  -0.5061041     8.069755  -9.784477      81.78345 
1 1 1 14  19  4  o 166.7072 59.47247 2.366315       7.379376  15.37015       8.208796  -73.55916      94.97895 
1 1 1 14  19  5  o 309.7928 76.33625 38.97610       13.94463  25.23980       15.29520  76.37099       132.8808 
1 1 1 14  19  6  o 174.1951 73.04643 11.51510       12.39307  6.367016       14.44211  13.15669       113.0225 
1 1 1 14  19  7  o 122.4810 51.50759 1.690473       6.298073  2.956153       7.050848  -10.38922      83.76452 
1 1 1 14  19  8  o 191.4232 53.08356 5.878966       6.109085  15.52406       7.034473  -72.23811      90.21958 
1 1 1 14  19  9  o 92.08556 43.23877 -6.714446      5.990809  1.159574       6.603645  -34.08459      74.51900 
1 1 1 14  19  10 o 153.5247 53.76019 3.611033       6.024074  9.252482       6.659763  -39.02953      87.75835 
1 1 1 14  19  11 o 94.69608 43.68627 -3.262441      5.718288  -0.4643011     6.269504  -15.96740      73.80882 
1 1 1 14  19  12 o 147.6007 53.30485 -0.8905727     6.085152  12.78650       6.442080  -89.54503      83.66112 
1 1 1 14  19  13 o 107.4468 47.55418 -2.585892      6.099817  3.169376       6.436651  -28.14767      78.66282 
1 1 1 14  19  14 o 126.5915 52.54700 2.405572       7.122832  3.201255       6.483369  -0.5672302     84.90564 
1 1 1 14  19  15 o 98.58118 45.20987 1.321915       6.140723  -4.309927      6.403887  19.70103       75.22543 
1 1 1 14  19  16 o 169.8732 53.59562 8.291624       6.134600  8.287677       6.507335  0.3157806      89.03368 
1 1 1 14  19  17 o 221.8984 47.82274 15.23748       6.232931  11.67337       6.556267  32.48521       89.96100 
1 1 1 14  19  18 o 107.4615 47.50986 2.019146       6.105840  -0.4440448E-01 6.369780  7.155403       76.74994 
1 1 1 14  19  19 o 124.0529 50.53742 3.965904       5.845452  4.265874       6.439079  -2.965317      79.91956 
1 1 1 14  19  20 o 103.4355 46.17696 1.102482       5.728955  1.551574       6.395442  -4.674454      73.80600 
1 1 1 14  19  21 o 103.9178 46.04150 -0.3610182     5.494285  4.326055       6.372499  -22.57295      73.98894 
1 1 1 14  19  22 o 89.24442 42.56746 -0.9626656     6.206404  -2.973161      6.961586  1.674835       69.02118 
1 1 1 14  19  23 o 99.00466 45.32615 5.365298       6.239654  -2.390630      6.289143  25.00008       71.39467 
1 1 1 14  19  24 o 70.01710 34.72824 -0.3373694     5.526246  -10.91783      5.957200  19.35849       58.49736 
1 1 1 14  19  25 o 86.88977 40.66127 1.203077       5.122860  0.2003775      5.898656  0.6881332      63.42432 
1 1 1 14  19  26 o 127.6764 49.22623 7.224131       5.289721  7.769111       5.767425  -0.3019257     73.38797 
1 1 1 14  19  27 o 70.03490 34.19647 -0.4813104     4.859187  -3.164178      4.899858  6.235001       54.70884 
1 1 1 14  19  28 o 71.42829 34.52462 1.400388       4.749437  -2.396499      4.550991  10.45574       54.40967 
1 1 1 14  20  0  o 101.2392 46.86856 4.074486       6.837503  -5.924975      7.101171  31.21620       76.68562 
1 1 1 14  20  1  o 133.6784 54.51534 1.761781       6.851304  8.544370       7.448431  -32.39765      86.39674 
1 1 1 14  20  2  o 118.5770 51.47216 3.479174       6.619051  1.250375       7.513587  5.399773       81.88662 
1 1 1 14  20  3  f 118.9818 51.39423 5.541765       6.734564  -1.168526      7.151381  26.10065       82.05701 
1 1 1 14  20  4  o 99.19325 45.76815 -2.955324      6.304157  0.8462238      6.853534  -17.11745      75.80525 
1 1 1 14  20  5  o 159.2350 59.54014 4.214580       7.577397  11.66919       8.304562  -38.55304      94.94466 
1 1 1 14  20  6  o 164.4092 59.65322 10.95195       7.776922  5.311587       7.918234  29.93602       94.99032 
1 1 1 14  20  7  o 144.0841 66.19199 4.162735       12.90664  1.643793       14.22045  2.775726       103.5049 
1 1 1 14  20  8  o 116.4343 56.90219 -9.281295      13.13008  -6.583313      14.11696  -7.565628      93.41846 
1 1 1 14  20  9  o 394.8249 32.07531 34.92672       7.791825  40.45610       7.784611  -34.48911      69.21398 
1 1 1 14  20  10 o 154.9332 55.33648 4.526092       6.553939  9.334344       6.901635  -29.54147      89.26130 
1 1 1 14  20  11 o 144.8981 53.25544 2.959719       6.023943  8.864523       6.580019  -37.51927      85.93175 
1 1 1 14  20  12 o 154.5844 54.22547 7.015497       6.436403  6.480192       6.423013  3.404785       87.91660 
1 1 1 14  20  13 o 121.8275 50.67732 5.376106       6.300924  0.1907702      6.350936  25.53245       81.46489 
1 1 1 14  20  14 o 116.9362 50.20935 -7.597558      6.390916  12.61417       6.704064  -98.57195      80.64306 
1 1 1 14  20  15 o 155.9987 54.51276 9.015839       6.502575  5.537307       6.485691  21.51436       87.78484 
1 1 1 14  20  16 o 275.2860 41.65402 20.92365       6.770826  19.37531       7.017725  16.80319       89.61260 
1 1 1 14  20  17 o 101.9116 45.71979 -0.6456793     6.009932  1.948734       5.978502  -10.19292      73.82198 
1 1 1 14  20  18 o 289.4612 40.71607 21.90761       6.921246  24.07962       7.313212  -10.66859      90.62594 
1 1 1 14  20  19 o 96.89191 44.14790 0.2097243      5.745441  0.3236258      5.963479  -1.566383      71.15177 
1 1 1 14  20  20 o 127.5198 51.13451 3.476121       5.762346  7.354367       6.643872  -19.49693      80.29286 
1 1 1 14  20  21 o 137.2176 51.67373 4.328719       5.889603  9.322132       6.085283  -26.40913      80.37853 
1 1 1 14  20  22 o 87.15794 41.48209 3.194901       6.227032  -5.202132      6.081080  23.92393       67.31026 
1 1 1 14  20  23 o 86.36568 40.90730 0.9953077      5.702187  -1.735617      5.995009  6.509552       64.79785 
1 1 1 14  20  24 o 83.19838 40.07895 -0.5814792     5.997767  -0.9793679     6.285246  0.1045227E-01  63.05438 
1 1 1 14  20  25 o 102.8450 46.09876 8.096771       5.626076  -1.463435      6.664039  29.25494       69.14065 
1 1 1 14  20  26 o 92.92343 42.57846 0.7104662      5.167087  6.812611       6.016589  -17.91138      64.29375 
1 1 1 14  20  27 o 76.55443 37.28355 -4.687200      5.797447  3.682399       5.598354  -16.86662      58.14275 
1 1 1 14  20  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  21  0  o 135.8120 56.38783 5.853489       7.200499  5.590191       8.607981  -0.3374939     87.59431 
1 1 1 14  21  1  o 159.8296 60.19473 7.118738       7.219627  13.20430       9.477830  -22.55150      94.62767 
1 1 1 14  21  2  o 137.1175 62.66158 0.000000       0.000000  4.504653       8.415337  ?              ?        
1 1 1 14  21  3  o 103.6832 47.70626 0.3565010      6.322170  -1.020159      8.132565  -4.320610      77.35398 
1 1 1 14  21  4  o 86.49863 41.91970 -6.170790      6.282473  -2.676857      7.937697  -19.36277      71.54210 
1 1 1 14  21  5  o 114.8976 49.57007 2.135076       6.335962  2.433182       6.538497  -2.161110      79.21322 
1 1 1 14  21  6  f 85.71202 41.03412 -1.569325      6.077430  -5.998726      6.350132  11.25170       69.14050 
1 1 1 14  21  7  o 163.1681 57.14262 10.69674       6.985758  5.786217       7.301088  28.38954       91.19315 
1 1 1 14  21  8  o 120.6919 51.63858 6.721480       7.066001  -1.064659      6.697670  35.55797       83.03260 
1 1 1 14  21  9  o 130.3315 62.16237 4.956081       14.09713  -7.121961      13.84330  21.26686       98.73956 
1 1 1 14  21  10 o 144.4609 66.52742 8.665527       13.97505  0.5359646      13.57347  16.79343       102.7311 
1 1 1 14  21  11 o 111.6225 48.67694 2.859150       6.172523  0.4616373      6.527922  8.478210       78.10955 
1 1 1 14  21  12 o 119.1975 49.75020 1.721808       6.170692  4.490268       6.082902  -13.02325      79.21540 
1 1 1 14  21  13 o 89.50455 42.32847 -0.1112000     6.502675  -4.437527      5.954360  17.57436       70.79385 
1 1 1 14  21  14 o 99.99867 45.81100 3.772240       6.501693  -3.994303      6.327610  28.92052       74.94263 
1 1 1 14  21  15 o 108.3597 48.08688 2.196269       6.455157  0.8646422      6.434694  5.276619       76.80831 
1 1 1 14  21  16 o 91.57731 43.26173 -4.826643      6.294540  1.208466       6.627405  -20.43916      71.56651 
1 1 1 14  21  17 o 190.8797 53.94882 11.86454       6.456535  12.02083       6.905562  2.184967       91.55248 
1 1 1 14  21  18 o 150.5458 54.13791 8.839539       6.331326  6.794994       6.564808  11.88098       85.18871 
1 1 1 14  21  19 o 78.18373 38.45115 -3.273095      6.008337  -8.788815      7.186237  4.640747       64.45602 
1 1 1 14  21  20 f 109.9154 48.23358 -1.439619      6.017758  8.954630       6.658990  -41.02770      76.14183 
1 1 1 14  21  21 o 102.0750 46.40101 -3.229010      6.374615  7.952245       6.459588  -36.66596      72.93507 
1 1 1 14  21  22 o 81.79856 39.43762 0.9728960      5.970405  -4.134082      5.972291  12.62840       63.35369 
1 1 1 14  21  23 o 96.67715 44.73515 -1.014376      6.405617  6.072904       6.265943  -19.38250      68.30080 
1 1 1 14  21  24 f 161.0240 53.71574 11.95828       6.163393  11.99265       6.427473  2.377762       81.61537 
1 1 1 14  21  25 o 74.35567 36.32390 -5.756583      5.322527  3.753352       5.752199  -22.15449      58.38296 
1 1 1 14  21  26 o 57.05302 28.99063 -13.12457      5.368854  -3.480816      5.534265  -13.99621      49.30652 
1 1 1 14  21  27 o 74.39002 36.17174 0.9729746      5.040897  -0.9438291     5.609493  2.847298       55.36887 
1 1 1 14  22  1  o 115.9862 51.54851 -6.690311      7.358943  12.71451       7.511599  -70.00877      82.55770 
1 1 1 14  22  2  o 109.0579 48.98044 7.316633       6.872270  -4.117678      6.929862  40.58298       78.37824 
1 1 1 14  22  3  o 141.9141 54.72721 11.17292       6.780245  2.317199       6.850617  43.93491       85.05456 
1 1 1 14  22  4  o 113.7271 49.46928 3.792645       6.352027  0.9776014      6.693170  10.20903       78.39635 
1 1 1 14  22  5  o 117.2622 50.04694 5.645386       6.385483  0.7060440      6.472288  20.95506       78.95664 
1 1 1 14  22  6  o 134.0490 53.00018 7.845391       6.319142  2.911368       6.748118  23.87531       82.83134 
1 1 1 14  22  7  o 108.6341 48.11310 -1.527453      6.174215  5.290421       6.698547  -29.38967      77.50771 
1 1 1 14  22  8  o 88.14828 42.32954 -4.088552      6.949224  -3.163577      6.513439  0.2611084      70.45526 
1 1 1 14  22  9  o 105.1915 48.53654 -7.561645      7.101649  8.568005       7.693605  -55.56236      80.56556 
1 1 1 14  22  10 o 119.7482 52.21826 0.5443071      7.133653  5.481943       7.475495  -19.77133      82.74392 
1 1 1 14  22  11 o 137.2110 57.59880 5.942898       6.615553  4.485845       12.60018  -2.719193      91.04948 
1 1 1 14  22  12 o 129.0237 61.09106 8.849218       12.64699  -6.289029      13.40605  25.27274       94.97491 
1 1 1 14  22  13 o 116.1716 51.12413 7.801060       7.498907  -1.894407      6.827836  38.81694       81.91848 
1 1 1 14  22  14 o 96.25393 44.61165 -2.554581      6.140966  1.516800       6.555227  -15.94981      72.78825 
1 1 1 14  22  15 o 86.39172 41.29179 -1.343811      6.155402  -4.274177      6.311821  7.448212       68.30115 
1 1 1 14  22  16 o 77.45605 38.13526 -9.954617      5.927243  -0.7458048E-01 7.196723  -30.89886      66.67983 
1 1 1 14  22  17 o 116.8152 50.80510 6.080739       6.420872  0.7321954      7.430000  17.57165       78.50319 
1 1 1 14  22  18 o 95.96157 44.56586 3.244886       6.085209  -3.147069      6.707352  17.10258       70.78410 
1 1 1 14  22  19 o 88.19392 42.34890 0.1715840      6.311566  -3.992844      7.231044  6.219864       67.81931 
1 1 1 14  22  20 o 89.57497 42.34263 -4.561844      5.807218  5.885840       6.688697  -32.21284      68.69085 
1 1 1 14  22  21 o 84.24936 40.42045 -4.952938      5.804940  4.413568       6.437721  -25.59324      65.18028 
1 1 1 14  22  22 o 69.85095 34.97579 -6.928130      6.605097  -5.505768      6.253578  -0.6861725     57.43032 
1 1 1 14  22  23 o 97.26351 44.78209 9.351780       6.163229  -3.307543      6.308240  35.91428       68.70895 
1 1 1 14  22  24 o 100.6325 45.63995 4.382195       6.052280  5.713259       6.282355  -3.366737      66.57107 
1 1 1 14  22  25 o 76.87749 37.60220 -0.2658274     5.664273  -0.6977612     6.341941  -0.6205750     57.89578 
1 1 1 14  22  26 o 96.61474 44.43985 6.115161       6.472930  5.435050       5.816624  0.4338837      63.26485 
1 1 1 14  23  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  23  3  o 134.3975 53.41037 4.874846       6.386474  7.707980       6.963499  -13.06087      82.94801 
1 1 1 14  23  4  o 87.90730 41.97962 -6.400782      6.227267  2.217285       6.613708  -26.57043      69.77551 
1 1 1 14  23  5  o 87.15085 41.78610 -3.942782      6.292989  -1.289728      6.712981  -9.462509      68.77901 
1 1 1 14  23  6  o 126.5126 52.04135 3.697789       6.481956  5.994292       6.661018  -10.55086      81.21490 
1 1 1 14  23  7  o 96.76925 47.02136 -3.899335      6.306887  0.000000       0.000000  ?              ?        
1 1 1 14  23  8  o 84.50513 40.91073 -1.578458      6.205453  -6.483010      7.058898  7.141495       67.65914 
1 1 1 14  23  9  o 99.14293 45.72046 7.956831       6.434745  -7.982819      6.641018  52.91209       74.66547 
1 1 1 14  23  10 o 91.21268 43.02708 -0.9121684     6.061505  -2.030145      6.666154  0.1214294      69.97250 
1 1 1 14  23  11 o 76.06636 37.84301 -12.15763      6.596208  -2.612864      7.509622  -24.10923      65.79704 
1 1 1 14  23  12 o 96.19069 45.35950 1.947255       6.659116  -4.664681      7.488461  14.39835       72.96043 
1 1 1 14  23  13 o 106.1514 48.18286 -0.6099097     6.372480  4.832982       7.551694  -21.23935      76.71737 
1 1 1 14  23  14 o 152.4609 70.45396 17.02182       14.20595  13.44741       17.60643  8.955948       99.20853 
1 1 1 14  23  15 o 114.5109 58.25750 -8.930133      15.90941  0.000000       0.000000  ?              ?        
1 1 1 14  23  16 o 96.15902 45.64939 3.166367       7.148916  -4.425093      7.583871  17.08679       72.42370 
1 1 1 14  23  17 o 103.4160 47.97849 3.449705       7.123279  0.2602396      7.617958  7.394119       74.07681 
1 1 1 14  23  18 o 106.1647 48.26340 0.8111359      6.690523  6.139882       7.227698  -16.15141      73.96931 
1 1 1 14  23  19 f 96.25630 45.03894 3.007409       6.741596  0.4822378      6.674295  6.637779       69.23991 
1 1 1 14  23  20 o 94.73402 44.40605 4.909324       6.413499  -1.370747      6.737999  15.40813       68.04401 
1 1 1 14  23  21 o 89.00304 42.84602 -1.419638      7.071905  2.052597       6.901102  -6.788200      66.04898 
1 1 1 14  23  22 f 122.2448 51.67146 7.015122       6.562187  9.705808       6.933353  -7.314873      74.34827 
1 1 1 14  23  23 o 96.58196 45.06015 -1.181720      6.052838  13.27728       7.424261  -31.93574      67.98435 
1 1 1 14  23  24 o 81.97537 39.48011 3.202892       5.797041  -0.8429610     6.106705  8.029503       59.66743 
1 1 1 14  23  25 o 71.63087 35.42440 -2.379732      5.725728  0.1432289      5.880733  -4.572014      54.66414 
1 1 1 14  24  4  o 92.76041 44.28867 0.8001990      7.502024  -3.541799      6.807086  13.66872       71.59378 
1 1 1 14  24  5  o 95.24143 44.98198 3.530737       7.172898  -4.463597      6.784105  23.28314       72.63536 
1 1 1 14  24  6  o 100.7133 47.13894 -5.712593      7.001293  7.789207       7.773679  -40.01413      76.52277 
1 1 1 14  24  7  o 125.4940 52.93295 8.769992       6.948299  2.230124       7.154119  24.89380       80.87383 
1 1 1 14  24  8  o 98.30531 45.83477 4.412003       6.437389  -5.231560      7.346019  24.20966       72.90239 
1 1 1 14  24  9  o 108.3728 48.78369 0.7149436      6.498211  4.351452       7.360983  -14.17023      76.62761 
1 1 1 14  24  10 o 96.38000 45.52253 -5.982353      7.175770  4.805779       7.106619  -28.54716      73.34961 
1 1 1 14  24  11 o 116.8131 51.11526 8.234260       7.201218  0.6536191      6.901067  26.64357       78.85857 
1 1 1 14  24  12 o 94.42026 45.06498 -1.721057      7.156307  0.1841250      7.598496  -5.934616      71.51701 
1 1 1 14  24  13 o 100.3932 47.03068 0.6176102      7.067832  1.640008       7.670520  -4.058929      73.28925 
1 1 1 14  24  14 o 94.30407 45.68091 -6.855845      8.345994  3.936992       8.153304  -20.16341      72.38856 
1 1 1 14  24  15 o 84.22272 41.97136 -4.176798      8.662008  -8.256066      8.886521  4.964287       67.65334 
1 1 1 14  24  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  24  17 o 112.8074 57.67835 0.000000       0.000000  8.162841       17.28982  ?              ?        
1 1 1 14  24  18 o 112.2320 51.61922 2.531043       8.286695  8.851532       8.219466  -14.23988      76.05370 
1 1 1 14  24  19 o 93.06543 45.26838 4.842927       8.319926  -4.074561      8.329148  14.85879       69.50423 
1 1 1 14  24  20 o 103.9601 49.50975 -5.201039      9.175347  13.94199       8.453646  -33.21516      73.64334 
1 1 1 14  24  21 o 79.57589 39.71445 -0.4910269     7.801072  -4.854993      8.170139  4.783813       61.32447 
1 1 1 14  24  22 o 79.08215 39.65783 -7.135311      7.594015  5.067751       9.551347  -15.71318      61.54638 
1 1 1 14  24  23 o 70.85835 35.74141 -3.023622      7.183046  -6.647263      7.570809  3.160110       55.96891 
1 1 1 14  24  24 o 76.14979 37.97438 -3.307593      7.206014  2.653412       7.260794  -7.415031      57.21643 
1 1 1 14  25  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  25  7  o 111.2748 50.81381 0.3262866      7.103718  8.394507       8.771868  -23.07573      78.63551 
1 1 1 14  25  8  o 84.15864 41.47632 -2.914470      7.269281  -7.239349      8.260351  3.645180       67.41080 
1 1 1 14  25  9  o 116.8503 52.54426 2.935441       7.637488  7.224000       8.347193  -11.98819      79.38213 
1 1 1 14  25  10 o 91.86258 44.47121 -6.221129      7.296207  4.906269       8.391563  -25.51853      71.57335 
1 1 1 14  25  11 o 93.61121 45.27187 0.5902054      7.617023  -2.796009      8.490472  4.262611       70.83316 
1 1 1 14  25  12 o 111.0905 51.86139 9.460008       8.656717  -1.595111      8.973039  23.37007       78.22499 
1 1 1 14  25  13 o 88.02239 43.93843 -11.22794      9.358849  0.7305892      10.28079  -17.13440      70.54371 
1 1 1 14  25  14 o 104.9843 50.87854 -4.956934      10.12105  9.842139       10.41080  -22.33344      77.29196 
1 1 1 14  25  15 o 94.33253 46.31823 -9.711178      9.485150  7.208074       9.196016  -24.37451      72.34584 
1 1 1 14  25  16 o 108.9353 54.37477 6.008070       10.59282  0.000000       0.000000  ?              ?        
1 1 1 14  25  17 o 107.4791 52.46251 10.02529       11.33488  3.000552       11.58372  7.998329       75.35754 
1 1 1 14  25  18 o 94.38728 47.70831 11.64961       11.52278  -24.63376      17.17841  18.45899       70.71410 
1 1 1 14  25  19 o 103.7905 53.38898 0.000000       0.000000  21.83004       17.40615  ?              ?        
1 1 1 14  25  20 o 95.42358 47.66037 7.003231       15.81166  4.305342       9.581699  1.019592       68.34237 
1 1 1 14  25  21 o 95.57048 46.93301 3.151476       8.701597  10.47533       10.84417  -6.788795      66.93492 
1 1 1 14  25  22 o 79.06161 39.63102 -2.746247      8.140600  2.220095       8.582724  -5.480896      59.28403 
1 1 1 14  25  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  26  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  26  10 o 97.77048 47.44440 0.8818023      8.705412  0.2484776      9.327390  0.1424255      72.40165 
1 1 1 14  26  11 o 125.0941 57.66663 6.288154       10.00489  14.04334       10.80775  -12.63390      82.18410 
1 1 1 14  26  12 o 96.65174 47.71247 -2.668023      10.13987  2.154975       10.59276  -6.440979      72.49524 
1 1 1 14  26  13 f 93.98714 46.58873 -3.786972      10.96583  1.012936       9.661285  -3.938354      70.88918 
1 1 1 14  26  14 o 80.96223 40.71463 3.785347       9.337312  -15.95129      9.027058  23.14725       65.92241 
1 1 1 14  26  15 o 89.61369 45.06353 -25.80298      16.86640  3.334835       9.008900  -10.65002      68.49755 
1 1 1 14  26  16 o 97.37473 49.49731 1.592503       11.30617  0.000000       0.000000  ?              ?        
1 1 1 14  26  17 o 82.32288 41.62134 4.783299       11.50943  -11.64692      9.469294  16.52388       64.93867 
1 1 1 14  26  18 o 88.41020 44.29308 -4.252492      11.05115  4.287264       9.794729  -6.949402      65.64835 
1 1 1 14  26  19 o 88.68826 44.66138 6.379363       11.18685  -1.874586      11.30941  6.152641       64.98122 
1 1 1 14  26  20 o 93.81835 46.85572 12.02002       11.02523  3.029912       11.36887  7.214828       65.75821 
1 1 1 14  26  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  27  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  27  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 14  27  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  -19 0  o 84.40970 38.57256 1.189300       4.191445  2.146542       4.911394  -5.105209      59.67782 
1 1 1 15  -19 1  o 75.96644 35.99720 -1.080226      4.288984  0.8837173      4.826348  -8.374977      57.19786 
1 1 1 15  -19 2  o 72.38013 34.73402 1.466359       4.431524  -3.875069      4.588498  15.22873       56.05230 
1 1 1 15  -19 3  o 89.90241 40.30159 -0.4546873     4.464639  5.284925       4.855865  -23.46957      62.76465 
1 1 1 15  -19 4  o 89.34637 40.30115 0.3113999      4.614632  3.848913       4.853103  -13.98706      62.42905 
1 1 1 15  -19 5  o 87.27359 40.73597 -1.293758      4.435709  8.370852       7.681032  -31.56311      66.91067 
1 1 1 15  -18 0  o 70.23650 33.94237 1.518399       4.182948  -6.464393      4.867527  19.03054       55.54635 
1 1 1 15  -18 1  o 80.57816 37.35982 0.2557133      4.217655  0.5030717      4.727910  -3.119514      59.22537 
1 1 1 15  -18 2  o 110.5297 44.05845 6.415565       4.375056  2.334705       4.731409  22.35993       67.30560 
1 1 1 15  -18 3  o 82.81190 38.42400 -2.534586      4.421210  4.427293       5.092528  -27.80433      62.07423 
1 1 1 15  -18 4  o 76.23306 36.10742 0.2003093      4.451767  -1.860231      4.659356  5.714531       58.10577 
1 1 1 15  -18 5  o 83.39904 38.14413 2.286241       4.436628  -0.9674160     4.407448  13.20396       60.64146 
1 1 1 15  -18 6  o 91.77374 40.78096 -0.7272681     4.430610  4.924617       4.907575  -25.91209      64.59053 
1 1 1 15  -18 7  o 79.08029 36.86398 2.807309       4.491960  -2.990443      4.362081  22.59253       59.72750 
1 1 1 15  -18 8  o 103.6119 43.06989 5.488750       4.632489  1.538047       4.499537  20.42672       66.77457 
1 1 1 15  -17 0  o 81.73051 37.90715 -2.010986      4.283092  3.001989       4.969780  -22.02714      61.43665 
1 1 1 15  -17 1  f 94.31535 41.21206 0.4270577      4.317461  4.273974       4.863688  -19.27603      64.98965 
1 1 1 15  -17 2  o 110.5818 43.95876 2.227081       4.190214  6.593280       4.916810  -25.02378      69.03713 
1 1 1 15  -17 3  o 84.16409 38.23967 -1.813923      4.055590  3.655457       4.722306  -27.36016      62.33351 
1 1 1 15  -17 4  o 79.51039 36.82805 0.3772354      4.041927  -1.327886      4.637208  2.981476       59.64610 
1 1 1 15  -17 5  o 105.5957 47.14349 2.851434       4.448261  0.000000       0.000000  ?              ?        
1 1 1 15  -17 6  o 66.04172 32.20540 -3.362795      4.151051  -3.327794      4.440131  -2.507195      54.28377 
1 1 1 15  -17 7  o 87.46166 39.29287 -1.064852      4.302572  3.323686       4.602067  -20.82175      62.91246 
1 1 1 15  -17 8  o 70.72761 34.02001 -1.930856      4.386502  -2.629530      4.378236  2.350342       56.41033 
1 1 1 15  -17 9  o 96.05070 41.61736 3.083265       4.493507  1.081457       4.660347  9.007767       65.36658 
1 1 1 15  -17 10 o 81.29032 37.51818 0.3691321      4.274827  -0.5411240     4.567166  1.931816       60.36232 
1 1 1 15  -16 0  o 98.93176 42.35212 2.435506       4.291391  2.179659       5.061202  -1.285194      66.73560 
1 1 1 15  -16 1  f 113.4580 44.59666 2.786324       4.235509  5.708506       5.063411  -18.02604      70.59385 
1 1 1 15  -16 2  o 74.61719 35.55428 1.227966       4.393735  -5.645732      4.716455  21.53815       59.24669 
1 1 1 15  -16 3  o 90.27032 40.09938 2.685224       4.284064  -1.074242      4.735530  14.97282       64.04221 
1 1 1 15  -16 4  f 123.1650 44.98096 4.175708       4.205063  5.720246       4.796380  -10.12098      71.63249 
1 1 1 15  -16 5  o 137.5816 46.17187 3.553327       4.318520  9.977578       5.064924  -44.53954      74.64862 
1 1 1 15  -16 6  o 95.11031 40.91177 -1.082700      4.092347  5.560613       4.683792  -38.09911      66.11149 
1 1 1 15  -16 7  o 101.2563 42.71896 3.513008       4.479220  1.229035       4.715271  11.15867       67.44016 
1 1 1 15  -16 8  o 87.68306 39.21519 -0.8904988     4.170675  2.459054       4.608266  -18.50670      63.61951 
1 1 1 15  -16 9  o 75.96819 35.74368 1.528133       4.288073  -4.164732      4.365936  21.48959       59.23286 
1 1 1 15  -16 10 o 85.32874 39.74590 -4.721035      6.334595  1.686814       4.423149  -10.30054      63.88874 
1 1 1 15  -16 11 o 115.5048 46.57497 4.156868       4.401784  4.479209       6.434228  -3.105385      73.15409 
1 1 1 15  -16 12 o 81.06190 37.61038 3.202213       4.758856  -3.456530      4.318832  29.61246       62.16504 
1 1 1 15  -15 0  o 87.12827 41.48480 -2.121774      5.840719  -2.025241      6.553101  -4.284767      67.97990 
1 1 1 15  -15 1  o 105.6172 47.50074 -0.5879121     5.854031  5.044333       7.467149  -25.43386      76.64369 
1 1 1 15  -15 2  o 143.9611 53.61603 8.500726       5.830080  4.981363       7.196673  19.56293       83.46353 
1 1 1 15  -15 3  o 106.9079 47.42403 2.641980       5.869318  0.7877299      6.746609  3.758209       75.14812 
1 1 1 15  -15 4  o 87.47033 41.66280 -4.558768      5.627191  1.097425       7.082533  -24.97291      70.06152 
1 1 1 15  -15 5  o 105.9221 47.45972 1.447293       5.826162  1.726788       7.291908  -6.466049      75.65737 
1 1 1 15  -15 6  f 106.4628 47.25467 0.4112160      5.657775  4.065688       7.011581  -18.77176      75.74624 
1 1 1 15  -15 7  f 101.5704 46.18506 1.586933       5.886796  -0.4349035E-01 6.976861  1.108559       73.58112 
1 1 1 15  -15 8  o 97.20303 44.75128 -0.6903923     5.974959  1.431420       6.508036  -9.452087      71.78446 
1 1 1 15  -15 9  o 107.9166 47.39786 -2.133979      5.485323  9.994936       7.009846  -53.79771      77.56313 
1 1 1 15  -15 10 o 97.94186 45.36005 0.000000       0.000000  0.6051461E-01  4.620283  ?              ?        
1 1 1 15  -15 11 o 87.00852 39.25001 0.1915387      4.539924  0.4857053      4.435884  -0.6696548     63.40352 
1 1 1 15  -15 12 o 114.8442 49.05712 3.830793       4.374294  0.000000       0.000000  ?              ?        
1 1 1 15  -15 13 o 82.48461 37.93477 0.6282873      4.613541  -1.107935      4.313695  9.285393       61.82291 
1 1 1 15  -15 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  -14 0  o 86.95231 39.46279 0.9690458      4.463591  -1.626964      4.789966  9.194557       64.55824 
1 1 1 15  -14 1  o 74.74288 35.43501 -2.843561      4.209267  -1.608316      4.628470  -8.695602      59.87148 
1 1 1 15  -14 2  o 107.9128 44.48692 3.132991       4.581371  1.728355       5.087341  5.529709       71.13580 
1 1 1 15  -14 3  o 134.1208 47.15072 7.460373       4.600419  2.399270       5.176888  35.01785       75.02058 
1 1 1 15  -14 4  o 87.36267 40.45787 -0.2023979     4.424692  -3.416360      6.597110  -4.437057      67.45576 
1 1 1 15  -14 5  o 97.88553 43.65876 -0.6699320     4.585675  3.001755       6.818893  -28.79369      73.39404 
1 1 1 15  -14 6  o 77.39567 36.96510 -2.940275      4.324995  -3.214349      6.047905  -13.94958      63.53302 
1 1 1 15  -14 7  o 132.8506 48.19336 5.005273       4.328146  5.431817       6.611124  -5.264114      78.63491 
1 1 1 15  -14 8  o 106.9318 44.05641 3.169421       4.416420  1.496276       5.091439  6.237419       70.45367 
1 1 1 15  -14 9  o 130.1368 47.27456 6.030694       4.142241  2.539063       6.453991  17.64875       75.28754 
1 1 1 15  -14 10 o 84.68042 39.56244 -0.4696479     5.909188  -1.821943      4.614326  13.90205       65.91418 
1 1 1 15  -14 11 o 88.25112 40.51258 0.4021319      4.197172  -2.386835      6.796484  -6.154831      66.86726 
1 1 1 15  -14 12 o 112.0432 45.90660 3.916639       4.461392  1.789159       6.077538  5.548241       72.79369 
1 1 1 15  -14 13 o 116.7334 49.18989 4.073885       6.028485  3.664340       6.128338  1.616394       76.67838 
1 1 1 15  -14 14 o 106.9700 47.88987 0.2232305      7.403069  3.247601       5.921674  -5.788094      75.19891 
1 1 1 15  -14 15 o 127.3480 53.58785 7.193274       9.269617  5.026274       6.088903  7.754539       82.95917 
1 1 1 15  -13 0  o 187.5192 55.81114 11.85536       6.530456  10.27633       7.518589  14.90915       93.11659 
1 1 1 15  -13 1  o 116.3992 49.51630 2.041767       5.872287  3.123425       6.728197  -8.690567      79.48129 
1 1 1 15  -13 2  o 86.53401 41.05972 -4.281614      5.440024  -1.118591      6.601893  -19.33805      69.88546 
1 1 1 15  -13 3  f 124.0526 51.19993 5.305697       5.783393  0.5781384      7.230302  16.61855       81.26098 
1 1 1 15  -13 4  o 90.56693 42.56709 -3.924797      5.718579  -0.1722333     6.587755  -19.06490      71.62359 
1 1 1 15  -13 5  o 89.91912 41.64555 -0.9593732E-01 5.878276  -2.408900      5.200374  14.10499       69.46626 
1 1 1 15  -13 6  o 114.2935 47.42252 7.365551       6.141658  -0.5313741     5.054510  47.43543       77.47290 
1 1 1 15  -13 7  o 87.14444 40.38010 -2.359265      5.821732  -0.8425251     4.724530  3.012146       67.34242 
1 1 1 15  -13 8  o 275.4952 37.56898 11.10824       6.731294  25.79460       5.864456  -132.0893      79.17579 
1 1 1 15  -13 9  o 110.1507 45.42515 0.1075528      5.344871  4.204255       4.751445  -19.72246      72.70642 
1 1 1 15  -13 10 o 226.0846 47.99155 13.26438       6.488653  16.11720       6.556225  -22.80731      91.54140 
1 1 1 15  -13 11 o 93.41198 42.54920 -2.823145      5.508473  2.146287       5.354795  -19.16431      69.58575 
1 1 1 15  -13 12 o 114.0625 48.34629 -0.5538886     5.650778  7.233849       6.249768  -38.57816      77.35310 
1 1 1 15  -13 13 o 92.91656 42.95812 -0.8940662     5.874609  -0.3531402     5.772542  -1.324623      69.91181 
1 1 1 15  -13 14 o 100.2599 45.13434 3.292686       5.782045  -1.801683      6.021642  18.60638       72.42062 
1 1 1 15  -13 15 o 118.6757 48.74582 5.906532       5.747258  2.144590       5.758698  18.42568       76.41025 
1 1 1 15  -13 16 o 77.91329 37.76398 -2.698865      5.852669  -4.525103      5.482815  7.550156       63.22097 
1 1 1 15  -12 0  o 110.9058 43.29863 2.919073       3.981445  2.096871       4.726251  0.9008102      70.39746 
1 1 1 15  -12 1  o 152.6770 42.93855 3.350428       3.947623  9.954563       4.598329  -62.90563      72.50668 
1 1 1 15  -12 2  o 80.30730 36.76983 -1.240479      3.854739  -1.283292      4.458456  -6.463638      62.12696 
1 1 1 15  -12 3  o 76.12303 35.35774 -3.009681      3.673673  -0.1575211E-01 4.471109  -23.77879      61.17268 
1 1 1 15  -12 4  o 156.7538 43.72201 5.447233       4.218755  7.694072       4.632727  -21.06964      75.58790 
1 1 1 15  -12 5  f 161.8542 43.28784 2.331336       4.187234  12.67515       4.721959  -96.76370      70.69602 
1 1 1 15  -12 6  o 169.2762 42.81716 6.125526       4.251984  9.314250       4.793424  -29.66916      76.26927 
1 1 1 15  -12 7  o 73.25271 34.66275 -2.267186      3.815629  -3.147840      4.662789  -5.968643      59.61216 
1 1 1 15  -12 8  o 212.9034 35.86890 10.88903       4.089760  12.30850       5.268971  -3.077972      74.35600 
1 1 1 15  -12 9  o 107.7783 42.34050 0.5898533      3.663160  5.787287       4.867675  -43.90185      70.24744 
1 1 1 15  -12 10 o 320.9883 25.27314 22.18886       4.780184  26.63060       5.234058  -28.73627      53.15782 
1 1 1 15  -12 11 o 83.01665 37.21833 -0.2291525     3.881318  -0.5057289     4.054320  -0.2439423     61.73122 
1 1 1 15  -12 12 o 122.3326 44.03818 4.510372       4.053874  3.294411       4.514929  7.808769       71.30748 
1 1 1 15  -12 13 o 87.37791 38.30077 -0.3663988     3.836235  1.364300       4.121782  -12.20055      62.83389 
1 1 1 15  -12 14 o 103.2270 41.48235 0.6281672      3.848377  4.546116       4.312512  -28.72316      67.06043 
1 1 1 15  -12 15 o 206.4329 36.54644 13.15546       4.634639  9.521747       4.392498  34.81128       73.79813 
1 1 1 15  -12 16 o 151.1198 43.26162 6.939198       4.483659  6.603398       4.069734  1.124573       73.85699 
1 1 1 15  -12 17 o 107.1762 43.28968 3.330869       4.700968  2.474077       4.229917  6.952454       69.06168 
1 1 1 15  -11 0  o 176.6131 41.01770 9.612832       4.192536  5.900429       4.659294  38.41896       73.99229 
1 1 1 15  -11 1  o 96.02459 43.41143 -0.9747446     3.905934  0.000000       0.000000  ?              ?        
1 1 1 15  -11 2  o 151.9487 43.42809 2.046608       3.926913  11.65559       4.798971  -91.87167      71.07185 
1 1 1 15  -11 3  o 158.4551 42.54279 7.053978       4.070886  5.575058       4.499695  14.37643       74.19892 
1 1 1 15  -11 4  o 210.5693 34.50946 10.68319       4.102234  10.71511       4.652862  3.251770       70.41360 
1 1 1 15  -11 5  o 300.6129 26.35705 20.93095       4.752090  20.82291       4.986981  2.518646       55.14021 
1 1 1 15  -11 6  o 244.3706 30.79420 15.27916       4.392804  12.77349       4.758274  27.56734       65.70035 
1 1 1 15  -11 7  o 79.28778 36.68021 -2.336215      4.062744  -1.188220      4.477849  -10.30005      62.54861 
1 1 1 15  -11 8  o 106.6206 42.30798 4.094795       3.743636  -1.342819      4.787632  28.02354       67.92842 
1 1 1 15  -11 9  o 123.0225 43.44677 5.316914       3.719070  1.008788       4.724328  28.38384       69.99513 
1 1 1 15  -11 10 o 109.4508 41.98315 2.385156       3.642653  2.882927       4.476517  -9.149391      68.74889 
1 1 1 15  -11 11 o 101.7521 41.20000 1.662675       3.882161  2.027739       4.216610  -5.024704      67.08121 
1 1 1 15  -11 12 o 167.2473 47.21503 10.25541       4.186885  0.4434730      7.161537  65.71819       75.86755 
1 1 1 15  -11 13 o 282.9474 27.62669 19.46539       4.724117  18.78683       4.853055  7.358246       59.26352 
1 1 1 15  -11 14 o 92.14637 38.97837 0.6800537      3.769716  1.503237       3.914697  -6.430084      63.53783 
1 1 1 15  -11 15 f 85.93510 37.51966 2.243178       3.784366  -1.273953      3.771664  20.85140       61.44205 
1 1 1 15  -11 16 o 182.9249 38.88055 10.42928       4.147697  7.389332       4.416498  33.66270       73.09088 
1 1 1 15  -11 17 o 100.8358 41.31012 -0.6596186     4.296095  4.574535       3.960359  -30.92429      65.73438 
1 1 1 15  -11 18 o 179.9924 42.10692 8.340227       5.010829  9.934333       4.303922  -21.27209      76.92934 
1 1 1 15  -11 19 o 124.1298 61.84022 -1.993354      13.42384  0.000000       0.000000  ?              ?        
1 1 1 15  -10 0  o 105.9288 41.87032 3.085856       3.971089  0.5490980      4.176783  16.77272       68.39067 
1 1 1 15  -10 1  o 230.5144 33.34337 11.02923       4.398246  14.50831       4.901597  -31.74092      69.00468 
1 1 1 15  -10 2  o 191.7310 39.13477 9.724216       4.326810  8.098248       4.688520  17.96587       74.45860 
1 1 1 15  -10 3  o 275.9353 29.20695 19.10281       4.714251  15.81393       5.163353  31.62846       62.54398 
1 1 1 15  -10 4  o 246.6559 31.92653 15.74616       4.547735  12.39110       5.029477  35.38474       67.82664 
1 1 1 15  -10 5  o 188.4716 52.05658 0.000000       0.000000  9.200864       4.445592  ?              ?        
1 1 1 15  -10 6  o 319.7407 24.88144 23.27437       4.771381  23.31620       5.031375  1.083710       51.41967 
1 1 1 15  -10 7  o 98.03525 40.91728 -1.295434      4.026050  3.411653       4.272948  -34.15710      67.56245 
1 1 1 15  -10 8  o 434.2087 21.54363 41.92019       5.626849  43.36670       5.956466  -6.213440      43.96248 
1 1 1 15  -10 9  o 309.6465 25.70459 21.42867       4.623649  22.85878       5.215345  -7.067139      53.70574 
1 1 1 15  -10 10 o 146.4919 42.20741 2.761880       3.705910  9.422365       4.495768  -66.39869      70.91626 
1 1 1 15  -10 11 o 216.9206 40.06792 9.334387       5.739031  13.59111       4.778029  -46.48193      78.69337 
1 1 1 15  -10 12 o 94.74106 42.46755 -0.3455946     3.648629  0.000000       0.000000  ?              ?        
1 1 1 15  -10 13 o 225.4144 31.51526 8.115742       4.012126  17.94794       4.626106  -94.36960      65.06258 
1 1 1 15  -10 14 o 155.1927 45.27042 5.877947       4.020869  7.942086       5.625719  -16.15471      78.61017 
1 1 1 15  -10 15 o 216.7585 33.33814 15.95334       4.372620  7.648609       4.306623  85.23694       67.64130 
1 1 1 15  -10 16 o 200.5707 34.76331 9.168441       4.132431  11.48799       4.205592  -24.46613      70.44817 
1 1 1 15  -10 17 o 106.2931 40.89339 1.480735       3.804329  3.865531       3.793278  -17.84697      65.88805 
1 1 1 15  -10 18 o 74.44090 34.57367 -4.698703      3.926913  1.908740       3.752856  -29.41142      58.14906 
1 1 1 15  -10 19 o 97.17722 40.95506 3.683998       4.745543  0.3682999      3.828796  24.71014       66.87691 
1 1 1 15  -10 20 o 150.2553 71.28313 12.82432       12.64348  0.000000       0.000000  ?              ?        
1 1 1 15  -9  0  o 497.9874 20.22757 55.67997       6.149458  55.43188       6.325326  1.767761       41.01688 
1 1 1 15  -9  1  o 131.3023 44.19647 6.122953       4.208625  1.756832       4.309169  37.37428       72.25817 
1 1 1 15  -9  2  o 160.1912 42.83617 6.041440       4.201681  6.567930       4.490797  -5.792725      75.06442 
1 1 1 15  -9  3  o 89.00631 38.98875 -1.121530      3.890644  0.6671833      4.369312  -16.60638      65.73008 
1 1 1 15  -9  4  o 356.3579 23.47438 30.57227       4.971303  26.29838       5.372539  29.68573       48.64068 
1 1 1 15  -9  5  o 146.3478 44.26664 6.182599       4.300666  4.105964       4.421898  18.87277       74.71561 
1 1 1 15  -9  6  o 470.4973 28.72786 50.42457       5.900470  0.000000       0.000000  ?              ?        
1 1 1 15  -9  7  o 213.9256 33.84832 10.90541       4.219070  10.59902       4.477349  4.460068       68.82301 
1 1 1 15  -9  8  o 130.1915 42.61736 5.280332       3.847226  2.505988       4.096502  24.09736       70.45261 
1 1 1 15  -9  9  o 161.0615 39.31327 3.318693       3.775224  9.810738       4.022144  -69.10118      67.76478 
1 1 1 15  -9  10 o 103.4667 40.21405 2.731159       3.611914  0.9249818      3.797871  12.60823       65.83715 
1 1 1 15  -9  11 o 129.9945 51.56417 0.000000       0.000000  3.279387       4.379149  ?              ?        
1 1 1 15  -9  12 o 162.5734 44.45560 8.351890       3.829541  2.762207       6.217348  41.27260       75.63014 
1 1 1 15  -9  13 o 294.9751 25.30122 18.22426       4.231750  23.01679       5.044410  -32.02704      53.05104 
1 1 1 15  -9  14 o 173.8838 38.56358 8.538705       3.783414  6.670199       4.383749  22.32497       71.54507 
1 1 1 15  -9  15 o 110.9235 41.53497 0.7660432      3.688622  5.193713       4.046319  -37.83714      67.49977 
1 1 1 15  -9  16 o 97.11791 39.38031 -2.122787      3.469356  6.563395       3.974331  -68.93012      63.68646 
1 1 1 15  -9  17 o 84.03379 36.87874 1.887185       3.614375  -1.595598      3.774351  19.11918       60.60733 
1 1 1 15  -9  18 o 145.1654 40.14095 5.141521       3.821878  6.344896       3.655437  -12.62097      69.31769 
1 1 1 15  -9  19 o 111.3419 42.18217 0.8457879      4.164804  5.213864       3.856994  -30.57862      67.11827 
1 1 1 15  -9  20 o 83.33122 37.30709 -0.6672437E-01 4.511581  0.7650716E-01  3.584200  7.006187       61.53076 
1 1 1 15  -9  21 o 127.9776 62.57022 1.406226       11.66166  0.000000       0.000000  ?              ?        
1 1 1 15  -8  0  o 170.1983 39.56309 6.729792       4.083331  7.257879       4.111686  -5.679260      72.19698 
1 1 1 15  -8  1  o 98.21268 40.22583 0.1633412      3.812616  1.929788       4.001173  -14.97231      66.61903 
1 1 1 15  -8  2  o 72.83564 34.61252 -0.8275080     4.128836  -6.463562      4.384444  21.13814       60.68810 
1 1 1 15  -8  3  o 82.50360 37.77439 -1.510030      4.210973  -2.220980      4.507819  -0.1972275     64.62696 
1 1 1 15  -8  4  o 98.07336 41.89300 1.219505       4.376863  -0.8721566     4.658831  9.672348       69.76476 
1 1 1 15  -8  5  o 71.14896 34.15939 -6.130645      4.202070  -1.948324      4.563728  -22.12892      60.93325 
1 1 1 15  -8  6  o 208.0833 35.56011 13.49354       4.303466  6.378258       4.558075  73.79335       69.21194 
1 1 1 15  -8  7  o 200.2457 36.78621 12.49137       4.358447  6.315460       4.445069  64.50182       70.25191 
1 1 1 15  -8  8  o 133.4604 43.35900 4.512811       3.913516  3.651954       4.337327  5.296478       72.44608 
1 1 1 15  -8  9  o 128.5734 42.18506 2.345881       3.850326  5.333761       3.920582  -28.57121      69.84624 
1 1 1 15  -8  10 o 72.70129 33.65628 -2.385564      3.583265  -1.324192      3.600080  -5.945915      57.86593 
1 1 1 15  -8  11 o 88.86237 39.43394 1.058760       5.429665  -1.390975      3.712442  32.58285       68.70971 
1 1 1 15  -8  12 o 110.0628 41.02895 1.237483       3.633821  3.832078       3.885328  -23.92581      67.29510 
1 1 1 15  -8  13 o 197.6257 34.70069 9.477908       3.818857  9.353210       4.451184  4.738815       69.54272 
1 1 1 15  -8  14 o 147.3766 41.86016 3.214109       3.732195  8.744696       4.349264  -55.42876      70.92529 
1 1 1 15  -8  15 o 80.04478 36.06547 6.067723       3.596899  -9.001798      3.983491  82.70284       58.67709 
1 1 1 15  -8  16 o 139.7862 41.19347 3.426955       3.628280  7.133579       4.030961  -37.20505      69.64924 
1 1 1 15  -8  17 o 86.08737 37.50881 -3.210871      3.630991  4.306408       3.901994  -50.22822      62.28566 
1 1 1 15  -8  18 o 166.8632 39.02483 7.003673       3.868502  7.831822       4.073326  -7.665741      71.59725 
1 1 1 15  -8  19 o 193.6029 33.30500 10.14157       3.885116  8.902173       3.826716  13.44411       67.66996 
1 1 1 15  -8  20 o 106.0514 41.18155 4.827404       4.294456  1.260750       3.564584  29.28926       67.00687 
1 1 1 15  -8  21 o 64.53959 31.13363 -3.738093      4.402764  -2.612061      3.299149  7.980415       53.92450 
1 1 1 15  -7  0  o 456.1751 20.35874 46.07259       5.662265  46.64372       5.834604  -2.455688      41.16737 
1 1 1 15  -7  1  o 283.7832 26.22411 19.40784       4.520941  16.89322       4.608741  21.29373       54.35933 
1 1 1 15  -7  2  o 461.5664 19.64769 52.08146       5.746158  42.99419       5.488023  44.74780       39.71021 
1 1 1 15  -7  3  o 90.51933 38.56675 1.158219       3.756393  -0.8798667     3.857356  12.62007       64.36871 
1 1 1 15  -7  4  o 489.4839 19.21325 50.30230       5.658273  56.38114       6.001960  -27.85080      38.73591 
1 1 1 15  -7  5  o 309.0948 24.42803 19.85586       4.618703  23.02341       4.673232  -23.81985      50.08101 
1 1 1 15  -7  6  o 230.0593 31.59954 18.16293       4.507053  6.677967       4.282677  112.4430       64.53743 
1 1 1 15  -7  7  o 120.5618 44.38570 4.661929       4.335431  0.8842578      4.401000  29.69427       72.61154 
1 1 1 15  -7  8  o 337.0772 24.56751 22.31529       4.867473  29.36841       5.373358  -47.04132      50.22165 
1 1 1 15  -7  9  o 167.9761 39.00808 6.617545       4.005795  6.843270       3.967474  -2.431427      71.14118 
1 1 1 15  -7  10 o 193.0078 35.01414 8.437891       3.980393  9.096913       4.097744  -7.015121      68.63419 
1 1 1 15  -7  11 o 324.0029 23.12721 23.63437       4.629719  23.61672       4.605723  0.3567505E-01  47.27263 
1 1 1 15  -7  12 o 182.5143 35.23363 7.328871       3.953526  8.479877       3.744186  -13.58017      67.98094 
1 1 1 15  -7  13 o 431.1618 19.36772 40.05400       5.144938  43.27070       5.189022  -17.10977      39.29624 
1 1 1 15  -7  14 o 172.8578 36.47631 6.818510       3.576645  7.895763       4.042197  -10.96286      68.94727 
1 1 1 15  -7  15 o 119.7264 41.78766 3.041835       3.567922  3.789731       4.122831  -9.888618      69.09740 
1 1 1 15  -7  16 o 275.2471 25.45663 15.69717       3.957581  20.47184       4.742744  -34.58293      53.58993 
1 1 1 15  -7  17 o 67.56510 32.15715 -3.799348      3.578404  -1.505376      3.829394  -13.49958      55.86687 
1 1 1 15  -7  18 o 151.7790 40.06840 6.795971       3.729576  5.277661       3.933085  16.11055       70.18691 
1 1 1 15  -7  19 o 128.2470 41.39875 5.526298       3.641773  3.174157       3.867515  21.17818       68.20905 
1 1 1 15  -7  20 o 154.1538 39.58213 7.651138       3.810175  5.204415       3.798492  25.48289       69.75278 
1 1 1 15  -7  21 o 93.76127 39.23362 6.338365       4.260727  -1.821966      3.499674  59.81009       64.69084 
1 1 1 15  -7  22 o 158.7991 41.19333 12.06047       4.834834  4.419324       3.611562  66.57214       72.57148 
1 1 1 15  -6  0  o 212.2702 32.63892 8.710857       4.020739  12.33736       4.315530  -37.75385      65.89659 
1 1 1 15  -6  1  o 410.1864 20.77024 37.80771       5.148563  37.02784       5.395568  4.961823       42.07643 
1 1 1 15  -6  2  o 313.5120 23.94559 25.26242       4.654498  18.86425       4.589494  47.59274       49.48802 
1 1 1 15  -6  3  o 290.1587 25.26715 19.18088       4.457059  18.65252       4.549487  4.595337       51.91213 
1 1 1 15  -6  4  o 299.1453 24.90386 24.69764       4.623539  15.64945       4.536562  71.06555       52.60166 
1 1 1 15  -6  5  o 391.6548 20.56668 31.56716       4.832491  36.99281       5.140127  -31.25177      41.59935 
1 1 1 15  -6  6  o 645.1321 18.17451 93.17487       7.231760  91.08158       7.300704  7.561462       36.56849 
1 1 1 15  -6  7  o 304.8976 23.78154 20.58430       4.413171  21.03164       4.513208  -3.135773      48.55270 
1 1 1 15  -6  8  o 161.4021 40.00069 7.092406       3.842814  5.098297       4.143111  20.53993       71.13271 
1 1 1 15  -6  9  o 552.0317 18.53294 66.41581       6.217727  68.69483       6.464179  -9.040588      37.32120 
1 1 1 15  -6  10 o 311.8177 24.91016 24.45846       4.822407  19.30362       4.735304  38.48691       51.35932 
1 1 1 15  -6  11 o 83.42889 36.88683 -2.241705      3.703631  1.065135       3.815135  -22.26798      62.38141 
1 1 1 15  -6  12 o 303.9308 23.15766 19.91492       4.238673  21.70759       4.434237  -13.07312      47.37922 
1 1 1 15  -6  13 o 384.1255 20.77104 32.04834       4.899656  34.05468       4.962819  -11.90060      42.17755 
1 1 1 15  -6  14 o 173.9450 35.38447 4.566686       3.666224  10.02329       3.710028  -61.61005      65.16379 
1 1 1 15  -6  15 o 234.0047 28.00997 8.729321       3.711192  18.11818       4.330487  -89.79352      58.85859 
1 1 1 15  -6  16 o 173.4358 35.82471 6.185687       3.522120  8.902761       3.971399  -29.38959      67.87055 
1 1 1 15  -6  17 o 322.6638 21.70064 23.27987       4.072201  24.54307       4.615031  -5.494934      45.01422 
1 1 1 15  -6  18 o 83.70334 36.45830 1.417088       3.441480  -1.369102      3.667573  15.17185       60.29617 
1 1 1 15  -6  19 o 257.5812 25.87045 18.62722       4.017372  12.50752       4.140927  59.32164       56.74409 
1 1 1 15  -6  20 o 238.9958 27.72431 18.36025       4.023724  9.166215       4.044496  93.30017       60.96857 
1 1 1 15  -6  21 o 98.63975 39.02508 2.900665       3.623302  1.190485       3.459715  14.08631       63.28361 
1 1 1 15  -6  22 o 103.6017 40.87627 6.820188       4.392689  -0.2492106     3.502264  55.53410       66.83459 
1 1 1 15  -6  23 o 125.7988 44.05029 4.488656       4.600155  4.702415       3.956082  -1.156250      71.32447 
1 1 1 15  -5  0  o 160.9351 41.44475 1.804291       3.879545  12.08333       4.517857  -104.8367      67.56857 
1 1 1 15  -5  1  o 602.1758 18.36338 82.78404       6.771059  77.79111       6.934834  19.34760       37.02330 
1 1 1 15  -5  2  o 289.3429 24.00201 23.10207       4.284545  14.52559       4.254173  69.91737       50.89542 
1 1 1 15  -5  3  o 421.4950 19.11967 38.92432       4.917788  40.00014       5.057237  -5.582825      38.59445 
1 1 1 15  -5  4  o 314.8298 22.29392 20.48000       4.183684  24.06319       4.483325  -25.59125      45.38577 
1 1 1 15  -5  5  o 587.8768 17.54885 72.33412       6.235085  81.13945       6.562284  -33.76379      35.30768 
1 1 1 15  -5  6  o 403.9974 19.00301 39.22679       4.942813  33.65707       4.576258  30.93576       38.35712 
1 1 1 15  -5  7  o 291.6987 23.08458 20.97069       4.131577  17.08866       4.154613  31.24329       47.52320 
1 1 1 15  -5  8  f 432.1548 19.05059 42.49709       5.075198  40.32129       5.113877  11.66763       38.44435 
1 1 1 15  -5  9  o 420.9883 19.18633 32.42107       4.781244  47.58247       5.245560  -81.69928      38.92336 
1 1 1 15  -5  10 o 549.1843 17.56962 65.71091       5.989828  67.70866       5.965738  -8.385498      35.34608 
1 1 1 15  -5  11 o 555.0983 18.71982 72.02862       6.533664  64.73782       6.344005  29.81720       37.70425 
1 1 1 15  -5  12 o 107.9747 40.75564 2.732654       3.778377  1.431171       3.679450  12.03372       67.18513 
1 1 1 15  -5  13 o 128.2841 43.44023 3.054042       3.517929  5.010615       5.171634  -28.19241      74.22752 
1 1 1 15  -5  14 o 154.8633 37.37101 5.276397       3.434345  6.318296       3.675069  -12.21956      67.40474 
1 1 1 15  -5  15 o 243.6128 25.39571 12.45134       3.792851  14.63750       3.770182  -21.53212      53.12388 
1 1 1 15  -5  16 o 335.9565 21.60951 22.63486       4.333038  28.80869       4.642018  -41.39841      44.28432 
1 1 1 15  -5  17 o 345.8826 20.59004 26.31407       4.171605  28.04880       4.665215  -9.107025      42.25857 
1 1 1 15  -5  18 f 260.9938 24.84178 15.59472       3.753520  16.13580       4.237171  -0.8963623     52.59168 
1 1 1 15  -5  19 o 203.6097 31.24792 8.749502       3.699994  11.49930       3.954397  -28.78853      64.38756 
1 1 1 15  -5  20 o 96.58447 38.61945 3.324281       3.496368  0.6129573E-01  3.506221  24.72753       62.65058 
1 1 1 15  -5  21 o 65.81541 31.19089 1.162104       3.378124  -5.574811      3.434680  31.40986       54.12072 
1 1 1 15  -5  22 o 90.92819 37.51675 -0.2798586     3.601513  2.660140       3.277207  -18.01093      60.67686 
1 1 1 15  -5  23 o 110.6412 41.68879 8.687140       4.578664  0.3277245E-01  3.450075  70.67168       68.13055 
1 1 1 15  -5  24 f 202.8824 42.86056 4.232454       10.36536  12.86653       3.954202  -79.02434      77.02013 
1 1 1 15  -4  0  o 238.2291 28.66998 12.02610       3.998389  13.91925       4.324222  -17.46429      59.42136 
1 1 1 15  -4  1  o 393.6294 19.51839 34.18048       4.641941  34.70675       4.868271  -2.578888      39.46959 
1 1 1 15  -4  2  o 230.2138 28.13324 12.38416       3.859514  11.67788       4.013469  7.876389       58.40174 
1 1 1 15  -4  3  o 822.0514 18.09217 148.6082       9.090614  150.5286       9.367285  -4.887207      36.42197 
1 1 1 15  -4  4  o 459.0540 18.58523 42.94359       5.036691  51.33065       5.565640  -40.86765      37.46061 
1 1 1 15  -4  5  o 895.3709 18.44083 182.4241       10.35229  172.6006       10.13584  24.79486       37.10637 
1 1 1 15  -4  6  f 173.3611 35.71174 7.511524       3.671235  6.552701       3.755275  11.05917       67.33163 
1 1 1 15  -4  7  o 391.8195 19.03238 33.15952       4.560616  35.02354       4.665274  -10.74860      38.42182 
1 1 1 15  -4  8  o 122.0507 39.79921 3.285023       3.492334  3.351012       3.429339  -0.1729431     66.58047 
1 1 1 15  -4  9  o 394.2138 18.39951 35.78403       4.586226  33.23689       4.393919  14.49561       37.11570 
1 1 1 15  -4  10 o 393.8676 18.92894 38.62204       4.754734  30.65070       4.480038  46.01758       38.26494 
1 1 1 15  -4  11 o 286.1041 23.00825 16.34587       3.933715  20.48177       4.175088  -33.04611      47.07665 
1 1 1 15  -4  12 o 95.15511 38.94955 1.526101       3.687872  0.1794944      3.626691  10.99432       64.64327 
1 1 1 15  -4  13 o 272.6422 35.01777 17.11925       4.091189  0.000000       0.000000  ?              ?        
1 1 1 15  -4  14 o 183.3132 34.70982 12.16421       3.863008  3.884279       3.744707  90.61095       63.52662 
1 1 1 15  -4  15 o 315.2918 21.12906 22.59706       4.069494  21.95964       4.148874  4.989471       43.07167 
1 1 1 15  -4  16 o 314.0372 21.32639 23.51485       4.136685  20.89293       4.122976  19.45026       43.64685 
1 1 1 15  -4  17 o 161.7407 35.80822 8.231921       3.526290  4.560155       3.469827  42.49535       65.23112 
1 1 1 15  -4  18 o 108.4507 38.77303 3.461559       3.051787  1.433977       3.622048  14.04519       63.40161 
1 1 1 15  -4  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  -4  20 o 329.5908 21.44872 26.49879       4.375579  23.34953       4.347383  22.33743       44.34851 
1 1 1 15  -4  21 o 171.3206 34.90583 8.396284       3.541575  6.482534       3.626945  22.72946       66.64831 
1 1 1 15  -4  22 o 88.21148 36.33889 2.500004       3.345878  0.1074180      3.088285  20.23639       59.38674 
1 1 1 15  -4  23 o 99.12602 38.76425 3.521986       3.799692  1.242027       3.191800  21.30910       63.22388 
1 1 1 15  -4  24 o 143.9390 40.30709 3.255683       4.387924  7.314930       3.315702  -40.04928      67.21764 
1 1 1 15  -3  0  o 150.3997 38.42266 5.095181       3.457020  5.665864       3.756122  -7.316818      68.16992 
1 1 1 15  -3  1  o 411.2836 18.52679 33.73267       4.474700  42.25106       4.997660  -46.41534      37.37384 
1 1 1 15  -3  2  o 218.2525 27.67829 11.05711       3.566487  10.55070       3.768050  6.233231       57.33428 
1 1 1 15  -3  3  o 261.8610 24.71144 10.37357       3.723076  21.99458       4.265159  -101.7421      52.58474 
1 1 1 15  -3  4  o 193.6071 31.35742 8.398217       3.541569  8.857780       3.741188  -4.826660      62.84993 
1 1 1 15  -3  5  o 110.2768 39.72909 -0.2678444     3.331828  5.523603       3.632986  -57.16295      64.12360 
1 1 1 15  -3  6  o 123.0681 39.89392 1.922616       3.383515  4.994587       3.584565  -32.83341      66.23303 
1 1 1 15  -3  7  o 83.09409 36.31108 -2.341346      3.472771  1.696627       3.622495  -29.46626      61.32000 
1 1 1 15  -3  8  o 459.9188 17.56646 45.30470       4.908929  48.44183       5.101522  -15.33615      35.36424 
1 1 1 15  -3  9  o 365.4366 18.86812 30.68141       4.216285  28.53305       4.310664  13.76120       38.17686 
1 1 1 15  -3  10 o 635.0103 16.56464 88.14960       6.558875  90.06904       6.480642  -7.046875      33.29708 
1 1 1 15  -3  11 o 365.0276 19.00327 29.50253       4.393376  29.61489       4.190186  -1.119263      38.42746 
1 1 1 15  -3  12 o 568.7081 19.69976 71.74107       9.031813  71.62972       5.844492  -5.384094      43.72011 
1 1 1 15  -3  13 o 624.6660 23.84263 86.88473       6.520865  0.000000       0.000000  ?              ?        
1 1 1 15  -3  14 o 276.4434 23.75443 16.49814       3.899602  17.89474       4.183405  -10.89423      48.71934 
1 1 1 15  -3  15 o 399.8689 18.82193 36.36384       4.650115  34.76828       4.661143  9.234711       38.04848 
1 1 1 15  -3  16 o 101.2849 38.30904 0.5516106      3.190190  3.329041       3.416803  -27.30769      62.96462 
1 1 1 15  -3  17 o 444.0116 17.42741 39.67031       4.647085  48.81610       4.948514  -46.47824      35.25968 
1 1 1 15  -3  18 o 68.93348 31.78970 -1.176059      3.138501  -1.762980      3.181432  2.755989       54.39854 
1 1 1 15  -3  19 o 90.82897 36.71716 -0.2175214     2.882427  3.458900       3.658596  -37.82702      61.36987 
1 1 1 15  -3  20 o 207.1902 28.57828 14.38295       3.544233  5.882157       3.607163  94.46028       59.22326 
1 1 1 15  -3  21 o 193.7034 29.28767 8.702771       3.333316  9.449958       3.490919  -7.470505      60.71312 
1 1 1 15  -3  22 o 76.10904 33.65588 -2.149909      3.072339  2.085149       3.190674  -29.13962      56.12532 
1 1 1 15  -3  23 o 211.8661 27.23185 16.92982       3.687390  5.928775       3.332099  116.0685       57.04966 
1 1 1 15  -3  24 o 76.25145 34.21191 -1.012952      3.861510  0.2702286      3.010179  1.508186       56.70353 
1 1 1 15  -3  25 o 144.3176 44.97613 2.309767       10.00683  6.735622       3.322425  -21.79768      76.39617 
1 1 1 15  -2  0  o 85.27451 36.92218 -2.170578      3.506159  2.011581       3.692147  -31.28947      62.12239 
1 1 1 15  -2  1  o 405.7083 18.83881 35.37618       4.668730  37.70719       4.790011  -12.98950      38.01054 
1 1 1 15  -2  2  o 331.1659 20.46938 22.97781       4.030146  26.03922       4.357961  -20.61548      41.46904 
1 1 1 15  -2  3  o 169.7204 33.88755 8.437425       3.400817  4.871831       3.486207  42.25751       63.47653 
1 1 1 15  -2  4  o 151.4108 36.47077 7.296007       3.354304  3.383622       3.415538  45.22121       64.10947 
1 1 1 15  -2  5  o 103.9092 38.48868 -0.2429096     3.235725  4.306753       3.353441  -43.65838      62.52380 
1 1 1 15  -2  6  o 92.48717 37.38950 1.834521       3.241799  -0.1202204     3.405310  13.79159       61.84919 
1 1 1 15  -2  7  o 318.4288 20.54219 20.23675       3.899831  25.17741       4.187526  -35.23508      41.66443 
1 1 1 15  -2  8  o 211.9413 28.66739 10.61546       3.624439  9.766407       3.722320  9.676300       58.96228 
1 1 1 15  -2  9  o 272.0772 23.11941 16.41265       3.901115  16.68386       3.829995  -2.541351      47.30428 
1 1 1 15  -2  10 o 438.7951 17.57160 46.63494       4.850567  38.84276       4.699431  40.53586       35.45377 
1 1 1 15  -2  11 f 463.2760 16.73850 45.99561       4.740159  49.01553       4.867159  -14.75256      33.67819 
1 1 1 15  -2  12 o 169.7188 45.56057 0.000000       0.000000  6.869472       3.462560  ?              ?        
1 1 1 15  -2  13 o 374.4359 19.63927 34.11963       4.530850  28.05485       4.560641  37.48700       39.91494 
1 1 1 15  -2  14 o 731.2021 16.70410 117.9604       7.660663  118.1497       7.495330  -0.8284302     33.59410 
1 1 1 15  -2  15 o 94.02689 37.38623 -3.184869      3.293957  5.336189       3.232972  -71.11272      58.63097 
1 1 1 15  -2  16 o 623.6854 16.29407 90.97783       6.472018  81.83302       6.138290  32.94250       32.78215 
1 1 1 15  -2  17 o 194.9739 29.27923 7.801612       3.428663  9.820840       3.435183  -23.71028      59.70700 
1 1 1 15  -2  18 o 269.5868 21.56122 16.24633       3.491695  16.62203       3.665980  -2.433014      44.33533 
1 1 1 15  -2  19 o 273.0613 21.36126 16.57516       3.581585  17.26441       3.597493  -5.857269      43.97307 
1 1 1 15  -2  20 o 130.4571 37.53445 3.800487       2.982658  4.966011       3.473835  -13.91491      64.65400 
1 1 1 15  -2  21 o 205.3698 28.39817 15.28023       3.517777  4.782899       3.524384  115.0389       57.88145 
1 1 1 15  -2  22 o 223.8182 26.16953 11.16570       3.394563  12.78876       3.763636  -13.57996      55.75913 
1 1 1 15  -2  23 o 123.6722 38.60378 4.674218       3.382288  3.556309       3.193391  11.63960       64.64455 
1 1 1 15  -2  24 o 77.18576 34.58237 3.461069       4.625926  -1.664794      2.833812  46.71278       61.80507 
1 1 1 15  -2  25 o 154.6464 43.19751 5.478529       10.14018  7.107011       3.189373  -18.70953      78.31799 
1 1 1 15  -2  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  -1  0  o 307.6995 22.12351 24.05625       4.237168  18.33163       4.153251  43.14148       45.43325 
1 1 1 15  -1  1  o 434.8365 18.27510 45.86060       4.988335  38.12359       4.851524  40.66846       36.91061 
1 1 1 15  -1  2  o 221.9489 28.19253 13.85169       3.828891  8.575271       3.760183  55.45824       58.66815 
1 1 1 15  -1  3  o 431.3672 18.25434 44.13800       4.944154  38.37254       4.805917  30.49097       36.79866 
1 1 1 15  -1  4  o 221.8523 26.98706 11.27955       3.645392  10.94010       3.629931  3.556915       55.71218 
1 1 1 15  -1  5  o 153.8156 36.13072 7.757928       3.383405  3.287354       3.393412  51.98662       63.58955 
1 1 1 15  -1  6  o 186.2293 30.64191 7.755454       3.323350  8.143326       3.518616  -4.271149      61.11651 
1 1 1 15  -1  7  f 232.1797 24.32055 13.14828       3.381825  10.93447       3.524336  23.00290       50.61074 
1 1 1 15  -1  8  o 961.0447 26.01666 205.4931       10.95713  0.000000       0.000000  ?              ?        
1 1 1 15  -1  9  o 333.2282 19.06905 24.80570       3.888154  24.42399       3.963481  2.787659       38.54575 
1 1 1 15  -1  10 o 776.2371 16.83854 134.3481       8.113424  131.6317       8.102638  8.001160       33.84294 
1 1 1 15  -1  11 o 454.2356 16.92276 44.96520       4.727349  46.30617       4.793375  -6.672058      34.05041 
1 1 1 15  -1  12 o 194.5449 34.43976 8.953743       5.092529  8.700440       3.406350  0.4690857      70.31656 
1 1 1 15  -1  13 o 81.64519 35.29300 1.968749       3.325122  -2.189583      3.226172  31.61600       59.28162 
1 1 1 15  -1  14 o 500.2059 16.46263 57.37570       5.199464  53.32958       5.008301  18.26379       33.09448 
1 1 1 15  -1  15 f 259.8955 24.86196 17.97220       4.013799  12.52174       3.907166  49.15704       51.96379 
1 1 1 15  -1  16 o 285.6660 21.03840 17.95581       3.716234  18.50650       3.687822  -4.579193      42.86913 
1 1 1 15  -1  17 o 396.8155 17.68793 33.43394       4.303485  36.63031       4.383608  -18.36389      35.73364 
1 1 1 15  -1  18 o 299.2052 23.83929 21.86080       5.388301  19.47036       3.795267  11.10211       51.61877 
1 1 1 15  -1  19 o 225.9762 35.04248 13.18072       4.692702  11.15462       4.816118  21.25272       71.88068 
1 1 1 15  -1  20 o 157.0768 44.17388 7.523584       4.682897  5.375371       4.307208  20.44839       76.18905 
1 1 1 15  -1  21 o 150.9776 44.52332 5.522652       4.086369  6.811258       4.942660  -11.91853      76.22144 
1 1 1 15  -1  22 o 185.4852 42.91543 9.750214       4.593482  8.325933       5.130501  16.30460       78.80015 
1 1 1 15  -1  23 o 93.55033 43.05161 -1.029155      4.067397  0.000000       0.000000  ?              ?        
1 1 1 15  -1  24 o 284.6653 31.45388 25.34656       5.671001  15.73552       5.274024  77.57884       69.59081 
1 1 1 15  -1  25 o 167.5225 38.44127 9.917271       3.563810  4.339313       4.381292  60.74809       67.47660 
1 1 1 15  -1  26 o 81.24498 36.02020 1.500216       3.433975  -1.268873      3.810956  12.17522       58.71812 
1 1 1 15  0   0  o 431.8784 18.16623 39.27742       4.740317  43.58178       4.980419  -22.46146      36.60841 
1 1 1 15  0   1  o 342.6420 20.18364 23.07246       4.107644  29.62852       4.455511  -43.35880      40.89635 
1 1 1 15  0   2  f 413.2311 18.27012 40.52188       4.714097  35.16373       4.630443  29.68344       36.86678 
1 1 1 15  0   3  o 947.1208 18.50197 191.6790       10.70457  204.9513       11.04387  -31.64746      37.18452 
1 1 1 15  0   4  o 450.3398 17.61639 47.72370       4.986392  42.07225       4.840335  28.59372       35.46155 
1 1 1 15  0   5  o 327.8409 20.29123 22.84953       4.064445  24.88036       4.149540  -14.16031      41.06409 
1 1 1 15  0   6  o 242.2029 24.78573 11.58728       3.665263  14.71033       3.677640  -30.40398      51.42456 
1 1 1 15  0   7  o 208.5798 27.07911 10.53631       3.403426  9.101703       3.438938  16.22847       55.78549 
1 1 1 15  0   8  o 631.7819 16.10358 87.79416       6.200040  88.27550       6.417518  -1.500366      32.34122 
1 1 1 15  0   9  o 443.3153 16.78028 43.71070       4.532308  43.06818       4.683843  3.530090       33.77092 
1 1 1 15  0   10 o 490.9848 15.97662 51.61279       4.729498  54.98142       5.000823  -15.36517      32.10898 
1 1 1 15  0   11 f 446.5040 16.41506 43.90373       4.505805  44.18778       4.572599  -1.362762      33.01288 
1 1 1 15  0   12 o 345.9597 18.22458 23.28997       3.806935  30.10095       3.994441  -44.98813      36.93393 
1 1 1 15  0   13 o 575.0300 15.79319 74.79757       5.702614  71.34679       5.556519  13.53693       31.72927 
1 1 1 15  0   14 o 581.5721 16.10703 75.71032       5.834892  73.69736       5.775945  7.848145       32.35936 
1 1 1 15  0   15 o 691.0472 23.19697 0.000000       0.000000  106.1611       7.021410  ?              ?        
1 1 1 15  0   16 o 541.0332 23.25407 61.81202       7.633034  68.96024       7.948914  -29.74231      47.02018 
1 1 1 15  0   17 o 471.7441 23.76567 57.46392       7.564266  44.31637       6.436022  60.72913       48.24393 
1 1 1 15  0   18 o 433.5523 22.83762 40.21526       6.096733  44.21865       6.144190  -21.27716      46.46636 
1 1 1 15  0   19 o 177.0495 42.32142 7.424093       4.487075  8.128147       4.689184  -6.917343      76.73794 
1 1 1 15  0   20 o 164.1044 36.81051 8.066073       3.140744  3.568271       4.547342  46.37167       66.60007 
1 1 1 15  0   21 o 216.7126 27.73867 11.45693       3.270343  10.48112       4.182944  18.50421       60.46526 
1 1 1 15  0   22 o 137.1207 43.91247 5.023280       4.379453  4.820438       4.084960  2.471130       73.20931 
1 1 1 15  0   23 o 235.5791 32.24750 12.50778       4.678814  14.74589       4.504009  -24.75748      68.91859 
1 1 1 15  0   24 o 230.5215 30.92020 16.73952       4.624539  10.49572       4.052165  56.77000       65.95467 
1 1 1 15  0   25 o 162.9122 40.72304 7.688104       4.321849  7.055061       3.915814  4.028259       73.09537 
1 1 1 15  0   26 f 93.60982 37.49270 5.923641       4.273508  0.1281068      2.792088  51.78499       63.72684 
1 1 1 15  0   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  1   0  o 438.4698 18.09550 44.71192       4.994225  40.58550       4.832283  21.33954       36.46123 
1 1 1 15  1   1  o 400.1852 18.75409 35.34211       4.616734  35.62810       4.668955  -1.551422      37.81897 
1 1 1 15  1   2  o 526.2906 17.12614 63.61288       5.662166  58.88843       5.508422  20.36682       34.42760 
1 1 1 15  1   3  o 108.2306 39.11301 2.065629       3.392841  2.416892       3.345582  -2.814049      64.71460 
1 1 1 15  1   4  o 434.2132 17.28519 41.19743       4.633669  42.10029       4.659410  -4.738342      34.76982 
1 1 1 15  1   5  o 526.8441 16.47851 62.24951       5.400207  60.23448       5.357560  8.713196       33.09879 
1 1 1 15  1   6  o 212.6078 28.05563 14.44073       3.708446  6.418067       3.518816  86.27859       57.92779 
1 1 1 15  1   7  o 418.8136 17.44359 38.37315       4.502962  39.12267       4.541085  -4.058289      35.09544 
1 1 1 15  1   8  o 264.3926 22.47819 11.74066       3.537745  19.95565       3.777403  -72.09958      47.17149 
1 1 1 15  1   9  o 543.6774 15.98063 60.83457       5.230589  70.09425       5.551065  -38.58484      32.08985 
1 1 1 15  1   10 o 555.3351 15.87719 66.74973       5.371341  69.38402       5.561321  -10.63953      31.88301 
1 1 1 15  1   11 o 271.6024 21.02753 16.78351       3.413408  16.01200       3.626589  7.144592       42.97505 
1 1 1 15  1   12 o 695.3633 15.89250 106.2269       6.827500  107.0819       6.883244  -2.744751      31.93586 
1 1 1 15  1   13 o 168.3172 31.93452 8.281652       3.232171  4.889929       3.192900  41.76657       60.74488 
1 1 1 15  1   14 o 406.9526 24.21031 35.04602       5.865128  39.23085       6.329478  -22.64813      49.13671 
1 1 1 15  1   15 o 221.6966 38.78773 8.622546       5.005177  14.60096       5.286399  -57.53978      75.58022 
1 1 1 15  1   16 o 379.1576 25.39603 35.21659       6.060318  29.33573       5.824093  35.43652       51.77024 
1 1 1 15  1   17 o 230.6517 29.86185 14.32362       3.650187  8.070021       5.010612  66.93481       66.25245 
1 1 1 15  1   18 o 86.86597 36.83826 1.899839       3.056710  -2.558170      4.031449  17.53699       60.82030 
1 1 1 15  1   19 o 92.62613 38.71795 -0.8640464     3.776777  2.089046       3.663403  -19.61376      63.97855 
1 1 1 15  1   20 o 136.0553 42.37249 4.866776       4.040750  4.224706       3.881344  6.816437       71.31841 
1 1 1 15  1   21 o 369.7906 22.72977 31.89524       5.247549  30.51625       5.131900  8.069183       46.69584 
1 1 1 15  1   22 o 251.0365 23.61082 16.44481       4.586341  13.77780       3.101751  12.18007       52.57657 
1 1 1 15  1   23 o 134.9875 35.08272 4.313242       2.914715  4.980092       3.016359  -7.989319      61.97614 
1 1 1 15  1   24 o 331.9378 17.47509 26.99135       3.649643  23.33498       3.524783  24.84058       35.84297 
1 1 1 15  1   25 o 99.77319 34.94070 2.483900       2.833522  2.461486       2.529980  1.921844       57.37194 
1 1 1 15  1   26 o 60.62817 28.30462 0.1895040      2.836324  -2.248541      2.454490  19.34454       48.70673 
1 1 1 15  1   27 f 118.9604 36.74588 3.956405       3.755082  3.951483       2.550817  -0.2892990     62.34389 
1 1 1 15  2   0  o 109.4446 40.10681 2.600581       3.546045  1.919627       3.573451  5.852745       66.23553 
1 1 1 15  2   1  o 827.8813 17.70952 155.1848       9.237044  147.8256       8.958851  19.97314       35.60546 
1 1 1 15  2   2  o 657.2061 16.90770 94.70644       6.860806  96.00694       6.913861  -4.465332      33.95691 
1 1 1 15  2   3  o 718.2821 16.91391 118.1048       7.700961  109.7966       7.381679  26.10077       33.98921 
1 1 1 15  2   4  o 684.8640 16.69351 105.2599       7.198520  101.6339       6.990058  11.88989       33.54619 
1 1 1 15  2   5  o 268.9566 23.24575 17.29760       3.885772  15.02084       3.796338  19.58148       47.57518 
1 1 1 15  2   6  o 219.1547 26.08609 11.82007       3.512814  9.828806       3.441847  21.19101       53.88117 
1 1 1 15  2   7  o 477.8179 16.47380 49.11911       4.852232  51.64502       4.899182  -12.06189      33.10252 
1 1 1 15  2   8  o 334.8815 18.72198 22.20164       3.788455  27.69545       3.964984  -37.50421      37.88535 
1 1 1 15  2   9  o 553.8672 15.83202 66.24622       5.345348  69.12129       5.527026  -11.68475      31.78454 
1 1 1 15  2   10 o 342.5944 18.19024 27.31399       3.919169  24.71666       3.787990  17.24475       36.69613 
1 1 1 15  2   11 o 381.1825 17.24717 34.46722       4.093442  29.82606       4.042284  27.91873       34.79774 
1 1 1 15  2   12 o 436.9551 16.29023 41.05219       4.384421  43.30869       4.431505  -11.78217      32.76134 
1 1 1 15  2   13 o 440.5585 22.81595 42.90474       6.069517  43.52291       6.369472  -2.597168      46.19556 
1 1 1 15  2   14 o 508.3221 22.33001 60.32251       7.005787  54.62406       7.042312  25.94061       45.18547 
1 1 1 15  2   15 o 459.5863 23.07150 41.89626       6.247996  53.34680       6.915593  -55.83261      46.68834 
1 1 1 15  2   16 o 577.9581 22.07057 74.20434       5.584862  0.000000       0.000000  ?              ?        
1 1 1 15  2   17 o 474.8013 23.33505 53.53712       6.867983  47.05343       6.835725  31.50104       47.33528 
1 1 1 15  2   18 o 353.1252 24.61463 27.00721       5.277912  29.11850       5.442057  -13.39447      50.25800 
1 1 1 15  2   19 o 720.7512 21.82896 112.4531       9.599530  120.3492       9.904444  -24.33582      44.17207 
1 1 1 15  2   20 o 219.2362 25.08478 9.405203       3.948400  11.92044       2.960988  -33.16093      56.21812 
1 1 1 15  2   21 o 130.4831 34.04736 4.052239       2.748508  4.268209       2.821916  -2.866501      60.04200 
1 1 1 15  2   22 o 333.4645 16.53226 25.08646       3.493963  24.95522       3.330165  0.6607056E-01  33.66476 
1 1 1 15  2   23 o 231.2365 20.21439 14.42612       3.048921  10.52208       2.720036  37.38405       42.07044 
1 1 1 15  2   24 o 188.9106 23.94997 8.091617       2.704737  8.799923       2.784177  -8.154602      50.55607 
1 1 1 15  2   25 o 185.3675 23.59973 6.481923       2.576114  10.14054       2.735511  -45.17860      50.02876 
1 1 1 15  2   26 o 87.35130 33.10867 4.535635       2.636481  -0.5480047     2.325150  53.55343       53.03505 
1 1 1 15  2   27 o 73.77080 31.68241 0.4560352      3.040248  0.4964300      2.316598  7.448067       52.37871 
1 1 1 15  3   0  o 365.8260 19.92319 28.67887       4.459513  30.80155       4.550037  -13.20697      40.27729 
1 1 1 15  3   1  o 429.0078 18.53873 40.99670       4.973212  40.52753       4.872193  2.341522       37.35943 
1 1 1 15  3   2  o 275.8648 23.61033 17.04137       4.012778  16.96484       3.990318  0.5880737      48.27802 
1 1 1 15  3   3  o 216.2314 28.42705 13.38047       3.810202  8.033920       3.637295  56.97206       58.63646 
1 1 1 15  3   4  o 226.9074 26.90833 12.68990       3.783950  10.57535       3.647499  21.53514       55.56595 
1 1 1 15  3   5  o 632.0367 16.48465 91.37415       6.632060  85.12642       6.296122  22.25153       33.09344 
1 1 1 15  3   6  o 334.4189 19.93937 28.82743       4.227308  21.13325       4.015977  52.72906       40.56836 
1 1 1 15  3   7  o 91.02766 37.02274 1.773033       3.322470  -0.1575712     3.236172  16.98849       61.47672 
1 1 1 15  3   8  o 459.0945 16.76369 49.19027       4.906133  44.12033       4.637310  24.97049       33.69223 
1 1 1 15  3   9  o 580.6384 15.90565 72.48796       5.680776  76.22120       5.767266  -14.62543      31.92761 
1 1 1 15  3   10 o 258.9821 21.70562 13.82101       3.422595  16.09578       3.488346  -20.35638      44.37798 
1 1 1 15  3   11 o 322.6905 18.69748 22.47462       3.742717  23.64515       3.710840  -8.430359      37.79096 
1 1 1 15  3   12 o 589.1217 22.06628 0.000000       0.000000  76.98029       5.692030  ?              ?        
1 1 1 15  3   13 o 322.9758 26.02363 22.91924       5.119591  23.83827       5.221292  -6.371002      53.20617 
1 1 1 15  3   14 o 173.9037 43.39967 7.568616       4.354267  6.710923       5.057436  6.886292       77.58739 
1 1 1 15  3   15 o 162.4977 36.62273 4.844145       3.011269  9.654283       4.778810  -54.87112      69.16747 
1 1 1 15  3   16 o 643.1741 21.95814 88.11806       8.615488  95.86688       8.886580  -27.18829      44.27052 
1 1 1 15  3   17 o 349.9273 24.84271 27.35819       5.460105  27.44345       5.260418  -1.121185      50.65609 
1 1 1 15  3   18 o 463.0521 21.80551 46.52487       6.216846  49.13739       6.275238  -12.88574      44.13320 
1 1 1 15  3   19 o 719.2129 15.63531 113.8133       7.029932  115.2024       6.922469  -4.652832      31.48069 
1 1 1 15  3   20 o 200.4522 24.06380 9.995832       3.048638  8.474105       2.828618  16.75978       50.01094 
1 1 1 15  3   21 f 107.8151 34.73520 1.722823       2.712692  3.607922       2.573750  -20.63766      57.60388 
1 1 1 15  3   22 o 70.77647 30.74757 -2.274049      2.627319  1.833743       2.408205  -28.80395      50.85866 
1 1 1 15  3   23 o 191.0783 23.90467 7.389598       2.866849  9.552687       2.685240  -28.64606      50.81498 
1 1 1 15  3   24 o 99.95336 33.99973 3.054811       2.726810  1.915073       2.354389  15.07987       56.44203 
1 1 1 15  3   25 o 78.81805 32.04498 2.302120       2.506600  -0.2873287     2.406596  24.33775       52.33232 
1 1 1 15  3   26 o 65.76047 29.44342 0.4447111      2.494604  -1.040862      2.451260  10.99445       49.16313 
1 1 1 15  3   27 o 99.55724 33.62069 2.790640       2.653325  2.460843       2.310157  4.856781       55.48821 
1 1 1 15  3   28 o 77.20667 31.94662 2.699579       3.120292  0.1706424      2.139253  29.03167       53.84700 
1 1 1 15  4   0  o 516.2436 18.00490 62.79448       5.830916  55.33573       5.685826  32.92688       36.25974 
1 1 1 15  4   1  o 125.1698 40.77114 2.164037       3.549387  4.923415       3.720656  -28.70763      67.78453 
1 1 1 15  4   2  o 529.6778 17.38657 59.30575       5.587283  64.91675       5.830410  -23.93762      34.95445 
1 1 1 15  4   3  o 673.7438 16.96911 96.87181       6.991853  103.6666       7.184847  -22.85645      34.07391 
1 1 1 15  4   4  o 518.0226 16.92265 59.01069       5.461074  59.43402       5.400689  -1.946472      34.00463 
1 1 1 15  4   5  o 640.3965 16.53636 91.17525       6.615147  89.72148       6.513226  5.086731       33.19369 
1 1 1 15  4   6  o 583.9550 16.53241 75.82098       6.021024  74.59925       5.945023  4.707886       33.19204 
1 1 1 15  4   7  o 378.6140 18.09663 28.82458       4.193408  34.67610       4.283855  -35.42126      36.55726 
1 1 1 15  4   8  o 387.0836 17.92051 31.37487       4.276353  34.87779       4.306451  -20.76645      36.12872 
1 1 1 15  4   9  o 684.6152 16.12274 105.2415       6.954603  101.4047       6.744281  12.60754       32.38603 
1 1 1 15  4   10 o 599.6904 15.78601 80.55333       5.954926  78.07820       5.783427  9.263550       31.68542 
1 1 1 15  4   11 o 501.3323 15.89686 56.20976       4.954163  54.67804       4.920934  6.960846       31.92878 
1 1 1 15  4   12 o 619.9760 18.10361 92.46100       8.736557  81.43012       5.950068  36.49292       38.34269 
1 1 1 15  4   13 o 795.2111 23.51858 124.3393       10.93536  161.1750       12.37499  -103.2709      47.40382 
1 1 1 15  4   14 o 629.3929 30.66880 89.07273       8.441321  0.000000       0.000000  ?              ?        
1 1 1 15  4   15 o 609.4500 17.72599 80.50750       5.752567  85.71763       8.330183  -15.09882      37.81902 
1 1 1 15  4   16 o 630.2748 21.72091 80.85652       8.158859  96.89878       8.841384  -57.08545      43.79610 
1 1 1 15  4   17 o 183.9647 41.43179 9.779316       4.682792  6.354486       4.548240  34.94649       75.55535 
1 1 1 15  4   18 o 393.3900 17.54859 33.28338       4.351133  35.26885       4.196213  -11.94449      35.47104 
1 1 1 15  4   19 o 300.5244 18.32010 21.36771       3.464413  18.96948       3.337224  18.11057       37.15696 
1 1 1 15  4   20 o 431.7240 14.87227 39.96792       3.993193  42.68734       3.960915  -14.56226      29.98952 
1 1 1 15  4   21 o 145.4855 30.03269 8.670655       2.789951  2.178921       2.478616  84.53095       52.68637 
1 1 1 15  4   22 o 83.44875 32.67039 0.4246991      2.565258  1.732626       2.361955  -10.14970      53.56226 
1 1 1 15  4   23 o 225.5659 19.63043 10.41944       2.806923  12.72655       2.639628  -25.73061      41.50962 
1 1 1 15  4   24 o 100.8122 33.95033 2.181833       2.565457  2.679557       2.462816  -4.913895      56.17948 
1 1 1 15  4   25 o 178.1032 24.11221 7.856710       2.710872  7.317789       2.493854  4.787689       50.81166 
1 1 1 15  4   26 o 150.8069 27.61415 7.902956       2.510673  3.512579       2.466125  59.80830       52.57562 
1 1 1 15  4   27 o 172.0628 27.02328 8.126870       2.499064  6.184750       3.211904  33.90048       56.74567 
1 1 1 15  4   28 o 69.90471 30.21317 -1.265908      2.690675  1.449571       2.185367  -14.21845      49.13504 
1 1 1 15  5   0  o 813.0312 18.13204 151.2651       9.293633  141.1736       9.002733  28.02039       36.46585 
1 1 1 15  5   1  o 154.4230 39.42997 4.998556       3.734840  6.286110       3.847123  -14.45976      69.75797 
1 1 1 15  5   2  o 879.3129 18.13441 170.1363       9.795677  171.5002       9.990236  -3.286316      36.46129 
1 1 1 15  5   3  o 825.3783 17.67221 149.7423       8.981711  150.9830       9.116102  -3.275513      35.51688 
1 1 1 15  5   4  o 228.9607 27.15721 14.37289       3.886313  9.509796       3.685809  49.30101       56.41746 
1 1 1 15  5   5  o 282.3004 22.82295 15.10271       3.957417  20.41837       3.967870  -44.06058      47.21799 
1 1 1 15  5   6  o 526.2164 16.84382 59.75034       5.483354  62.44280       5.498936  -11.70715      33.84129 
1 1 1 15  5   7  o 540.8151 16.45974 61.24234       5.410087  68.03986       5.627252  -28.52942      33.05615 
1 1 1 15  5   8  o 398.1762 17.77653 34.00793       4.336749  36.09766       4.423907  -11.93787      35.78670 
1 1 1 15  5   9  o 672.8638 16.08178 95.76812       6.585678  104.0512       6.846719  -27.89093      32.30328 
1 1 1 15  5   10 o 419.5576 16.90721 41.54624       4.488317  36.40786       4.300242  27.84082       34.01449 
1 1 1 15  5   11 o 100.2251 37.61629 -1.441038      3.192401  4.776525       3.139902  -56.99933      59.75357 
1 1 1 15  5   12 o 238.2643 24.73928 12.89216       3.665676  12.58463       3.544023  2.662247       50.98013 
1 1 1 15  5   13 o 265.5270 42.23673 0.000000       0.000000  16.40986       4.754672  ?              ?        
1 1 1 15  5   14 o 254.4091 43.45536 15.19779       4.675282  0.000000       0.000000  ?              ?        
1 1 1 15  5   15 o 297.8088 22.27961 22.29950       3.619584  15.43278       4.796643  59.31273       51.66398 
1 1 1 15  5   16 o 1111.110 27.35518 277.5663       18.96882  274.3173       18.74205  6.211304       55.36382 
1 1 1 15  5   17 o 231.0726 34.80797 10.50260       4.892614  14.01694       4.778619  -35.08731      70.83420 
1 1 1 15  5   18 o 647.7598 15.44598 87.72932       6.076752  98.00102       6.344899  -35.89630      31.06229 
1 1 1 15  5   19 o 329.0429 16.86288 21.73395       3.359622  26.56284       3.505934  -33.47180      34.13744 
1 1 1 15  5   20 o 127.9218 33.61997 2.865912       2.734463  4.890715       2.671195  -25.51212      58.46840 
1 1 1 15  5   21 o 192.7114 23.88728 6.549574       2.845210  10.35455       2.746335  -47.31207      50.54756 
1 1 1 15  5   22 o 222.8653 20.96956 9.728669       2.964655  12.70288       2.774639  -33.16312      44.66522 
1 1 1 15  5   23 o 139.4003 29.79834 3.621791       2.747938  5.555522       2.306812  -27.22011      55.39223 
1 1 1 15  5   24 o 263.2586 17.16234 15.66329       2.860832  15.75384       2.719370  -1.739441      35.22863 
1 1 1 15  5   25 o 95.07428 32.76471 2.064732       2.478772  2.261261       2.226032  -0.4668274     54.05025 
1 1 1 15  5   26 o 98.51131 32.71137 3.703059       2.509366  1.535015       2.190352  26.71101       54.12465 
1 1 1 15  5   27 o 157.5468 24.76908 7.704561       2.370978  4.525876       2.311882  44.77293       50.36316 
1 1 1 15  5   28 o 99.67693 34.89386 3.709974       2.430192  1.091844       2.974800  23.22423       55.91373 
1 1 1 15  6   0  o 1054.444 20.11824 245.0809       13.17977  246.8544       13.13874  -3.915527      40.46651 
1 1 1 15  6   1  o 271.8277 25.21514 16.15424       4.177554  17.01372       4.229568  -7.277100      51.81960 
1 1 1 15  6   2  o 432.0907 18.55856 40.67380       4.934706  42.03205       4.991261  -7.132111      37.39448 
1 1 1 15  6   3  o 466.2783 17.77475 46.73703       5.045849  49.50290       5.222280  -13.35004      35.76643 
1 1 1 15  6   4  o 387.4160 18.82202 32.16934       4.434220  34.35366       4.589409  -12.72113      37.94552 
1 1 1 15  6   5  o 225.7208 27.38707 10.19805       3.699578  12.86120       3.815842  -27.41182      56.60859 
1 1 1 15  6   6  o 133.8975 39.25835 4.322754       3.456471  3.912911       3.486374  4.259705       67.08450 
1 1 1 15  6   7  o 465.8411 17.08133 44.52721       4.770054  51.76538       5.101969  -35.16104      34.33764 
1 1 1 15  6   8  o 1079.758 19.37408 257.8147       12.95479  256.9748       12.99871  1.832275       38.92281 
1 1 1 15  6   9  o 175.7944 32.88520 6.910027       3.395606  7.346634       3.516152  -5.188736      63.59426 
1 1 1 15  6   10 o 688.6304 16.20208 105.2828       6.874191  103.7048       6.968926  5.347839       32.55449 
1 1 1 15  6   11 o 288.8768 20.58714 14.20225       3.500178  23.80637       3.855448  -76.14111      42.54443 
1 1 1 15  6   12 o 327.3356 18.75744 24.05555       3.779777  23.42723       3.805979  4.478912       37.89970 
1 1 1 15  6   13 o 1058.856 38.49031 0.000000       0.000000  254.2354       17.84705  ?              ?        
1 1 1 15  6   14 o 440.9268 24.00561 48.05170       6.432325  38.33496       6.655700  51.73056       49.25593 
1 1 1 15  6   15 o 597.1581 15.73376 83.25668       5.884038  74.46603       5.764154  33.54602       31.63111 
1 1 1 15  6   16 o 260.5402 30.60370 17.31188       4.958189  13.72700       4.752214  31.77193       63.62730 
1 1 1 15  6   17 o 401.9140 23.21145 35.72886       5.769991  36.30639       5.754757  -3.364502      47.05222 
1 1 1 15  6   18 o 291.7539 20.73935 21.36299       3.857027  16.89477       3.612853  34.87851       42.25797 
1 1 1 15  6   19 o 269.1357 19.15867 14.24236       3.131234  18.20937       3.226161  -34.01563      39.20708 
1 1 1 15  6   20 o 449.8110 14.30839 46.06975       4.056879  43.63414       3.921278  12.12381       28.79838 
1 1 1 15  6   21 o 219.8090 20.47675 9.767056       2.734515  12.12903       2.786069  -25.15298      42.52226 
1 1 1 15  6   22 o 528.2993 13.90806 62.90966       4.640317  61.26727       4.472169  6.600891       28.04528 
1 1 1 15  6   23 o 220.4727 19.92298 13.41743       2.916654  9.403354       2.517846  39.91991       41.41991 
1 1 1 15  6   24 o 98.33149 32.91175 1.826229       2.455306  2.729243       2.277639  -9.261658      54.43052 
1 1 1 15  6   25 f 96.05161 33.09981 0.7661337      2.537073  3.383042       2.266506  -26.87370      53.52304 
1 1 1 15  6   26 o 57.20614 26.31926 0.8237683      2.280328  -2.083966      2.036076  24.45730       45.32100 
1 1 1 15  6   27 o 73.33981 29.99223 0.8795443      2.262099  0.7730069      2.080903  3.085152       49.04443 
1 1 1 15  6   28 o 67.67973 28.57128 -0.1794834E-01 2.079134  1.039254       2.034581  -8.813156      46.69576 
1 1 1 15  6   29 o 59.20910 26.81964 -0.2087534     2.402016  -0.4309144     1.919345  8.140182       45.02927 
1 1 1 15  7   0  o 342.6393 25.94312 35.85825       7.036965  22.09509       4.633808  83.65082       53.69378 
1 1 1 15  7   1  o 594.4084 17.97219 76.07281       6.611635  80.14633       6.626720  -15.69513      36.14287 
1 1 1 15  7   2  o 637.2689 17.20240 91.44206       6.858524  88.10757       6.731419  11.80865       34.56949 
1 1 1 15  7   3  o 451.8792 18.03586 49.72297       5.203796  41.15804       4.900777  42.98547       36.33810 
1 1 1 15  7   4  o 1037.994 19.40822 237.5083       12.49452  238.8438       12.49896  -2.941895      39.02050 
1 1 1 15  7   5  o 249.2320 25.63433 15.85856       3.967412  12.13367       3.848725  34.89554       53.14929 
1 1 1 15  7   6  o 195.1100 30.97888 7.529129       3.620038  9.871580       3.628437  -26.94685      62.07064 
1 1 1 15  7   7  o 623.8608 16.42909 82.94112       6.236039  88.97477       6.475576  -21.86304      32.98207 
1 1 1 15  7   8  o 748.0776 16.76445 119.6111       7.623191  127.4551       7.945862  -23.63635      33.67809 
1 1 1 15  7   9  o 901.1547 17.66874 181.7502       9.928230  176.5765       9.826385  13.02618       35.48946 
1 1 1 15  7   10 o 459.9651 16.73840 50.03730       4.859087  43.61790       4.681727  31.76050       33.66654 
1 1 1 15  7   11 o 280.2017 21.06381 17.34012       3.578492  17.59836       3.693017  -1.879120      42.83315 
1 1 1 15  7   12 o 370.0300 17.67242 27.70700       3.939322  33.17625       4.159133  -33.60226      35.64159 
1 1 1 15  7   13 o 294.0956 26.23621 16.94414       6.056086  20.49632       4.019476  -35.72061      62.10958 
1 1 1 15  7   14 o 431.8624 23.53350 38.82138       6.080971  44.74657       6.501365  -30.70709      47.67444 
1 1 1 15  7   15 o 405.0921 23.71188 35.31308       5.751188  38.16867       6.131972  -15.34833      48.12815 
1 1 1 15  7   16 o 568.6879 21.61836 68.09031       7.434194  76.11488       7.804064  -31.68903      43.62751 
1 1 1 15  7   17 o 427.2655 22.66300 40.96909       5.947715  40.36261       6.023309  3.456360       45.88698 
1 1 1 15  7   18 o 54.20501 26.73965 -3.059424      3.320103  -6.539287      3.153943  16.30999       49.09465 
1 1 1 15  7   19 o 338.4097 16.79016 27.85314       3.614732  23.24730       3.420556  30.87415       33.93196 
1 1 1 15  7   20 f 339.3828 16.07601 25.41341       3.396771  25.77765       3.353250  -2.594055      32.47903 
1 1 1 15  7   21 o 341.8866 15.45867 26.91607       3.308509  25.16298       3.232770  11.58636       31.24446 
1 1 1 15  7   22 o 313.5994 15.63511 23.11761       3.081563  20.91087       2.984641  15.88843       31.69445 
1 1 1 15  7   23 o 218.8353 19.35920 13.26302       2.777200  9.089239       2.454400  42.61998       40.26221 
1 1 1 15  7   24 o 82.25265 32.19097 2.934100       2.591563  -0.6577949E-01 2.221139  33.79338       52.95327 
1 1 1 15  7   25 o 199.7620 20.87284 10.96136       2.713032  7.978486       2.410445  32.62929       44.00795 
1 1 1 15  7   26 o 123.7472 30.21971 3.566186       2.404112  4.244901       2.207231  -9.991875      54.38255 
1 1 1 15  7   27 o 105.6206 31.52094 2.698312       2.364608  3.127172       2.101958  -5.106445      53.41313 
1 1 1 15  7   28 o 76.10516 29.53610 0.3870331      2.010582  2.043614       1.978706  -17.03073      47.75521 
1 1 1 15  7   29 o 76.92108 29.13765 1.647859       2.006519  1.123182       1.825143  7.277527       47.40285 
1 1 1 15  8   0  o 97.94887 43.41307 -0.4420602     5.239143  -1.522301      5.234587  5.716148       73.36716 
1 1 1 15  8   1  o 141.4143 43.32395 3.486189       4.110883  5.747650       4.207779  -22.39784      73.02327 
1 1 1 15  8   2  o 708.7255 18.28955 111.0660       7.931290  111.0348       8.140897  0.4018555      36.77323 
1 1 1 15  8   3  o 240.8141 27.57225 11.62992       3.936958  14.74788       4.161628  -29.77258      57.11637 
1 1 1 15  8   4  o 258.6765 25.11520 15.37541       3.914177  14.63833       4.047961  7.155518       51.79664 
1 1 1 15  8   5  o 305.9568 21.80532 21.58128       4.064981  20.06683       4.159314  11.73380       44.39626 
1 1 1 15  8   6  o 610.1471 17.18289 88.46324       6.733190  76.75102       6.284078  43.32556       34.51967 
1 1 1 15  8   7  o 104.1741 39.25961 1.016121       3.443707  2.689502       3.468864  -15.15584      64.75544 
1 1 1 15  8   8  o 420.3379 17.83883 39.46189       4.696351  38.67634       4.587169  4.133148       35.91290 
1 1 1 15  8   9  o 140.5487 38.32282 3.998113       3.469516  5.182516       3.396539  -12.96272      66.51988 
1 1 1 15  8   10 f 619.3544 16.35636 88.14931       6.380978  81.34686       6.180972  24.90002       32.84358 
1 1 1 15  8   11 o 280.9686 21.81879 14.37546       3.683318  21.13174       3.869627  -55.60344      45.07488 
1 1 1 15  8   12 o 697.9529 16.26543 97.63408       6.735661  119.3056       7.394789  -70.03284      32.69061 
1 1 1 15  8   13 o 303.0928 20.95671 18.83002       4.009147  21.93115       3.828890  -24.27106      42.94267 
1 1 1 15  8   14 o 480.7971 22.76444 48.72490       6.531639  54.69840       7.036910  -27.49707      46.04202 
1 1 1 15  8   15 o 359.9871 24.98145 29.09711       5.478892  28.97129       5.611357  1.200836       50.92694 
1 1 1 15  8   16 o 521.1992 16.72796 67.23854       5.405547  52.94987       5.397109  63.00171       33.89610 
1 1 1 15  8   17 o 168.5153 44.57938 4.122481       4.685668  9.545472       4.778195  -52.05846      76.49577 
1 1 1 15  8   18 o 104.2791 44.07426 5.599059       5.119606  -3.793175      4.712160  63.27122       73.09036 
1 1 1 15  8   19 o 199.5434 26.84819 10.34656       3.281418  7.921032       3.198272  28.05818       55.38064 
1 1 1 15  8   20 o 200.8185 24.62180 6.766433       3.054084  11.48331       2.954554  -56.00043      52.21584 
1 1 1 15  8   21 o 192.9312 24.40070 6.851123       2.849206  10.26177       2.860932  -41.65825      51.10395 
1 1 1 15  8   22 o 271.1645 18.01251 17.36176       3.134952  15.86151       2.903699  11.75186       36.79458 
1 1 1 15  8   23 o 190.5858 22.14846 7.120229       2.459764  9.936991       2.695991  -33.24335      46.44693 
1 1 1 15  8   24 o 107.8471 32.42480 2.533919       2.339827  3.292909       2.349013  -9.646576      54.89638 
1 1 1 15  8   25 o 91.66259 32.61336 2.860530       2.417379  1.153508       2.255781  20.18304       53.45459 
1 1 1 15  8   26 o 104.0791 31.83843 2.684463       2.337934  2.901692       2.165781  -2.265450      53.68141 
1 1 1 15  8   27 o 128.0785 37.63509 0.000000       0.000000  4.655994       2.253686  ?              ?        
1 1 1 15  8   28 o 118.8784 28.26814 2.744749       2.157386  4.500326       1.964053  -26.46397      50.60151 
1 1 1 15  8   29 o 183.6262 19.23434 7.493748       2.222067  8.564720       2.100017  -16.30688      41.63542 
1 1 1 15  9   0  o 239.1926 29.80530 10.24985       4.420801  15.57129       4.238384  -53.18739      62.74527 
1 1 1 15  9   1  o 87.84986 38.54522 -0.9909195     4.136469  -0.1629144     3.933225  -2.424278      65.03330 
1 1 1 15  9   2  o 437.3131 19.66107 45.38697       5.438748  39.59993       5.208526  30.03650       39.64918 
1 1 1 15  9   3  o 420.8177 19.76796 37.59260       5.138642  40.94033       5.153076  -18.29950      39.91222 
1 1 1 15  9   4  o 146.9639 40.14970 6.408589       3.754253  3.732383       3.772337  28.49802       69.18595 
1 1 1 15  9   5  f 294.2323 23.04062 20.74275       4.200227  17.96333       4.143981  21.90341       47.10187 
1 1 1 15  9   6  o 455.7501 17.97370 43.07402       4.906153  49.25536       5.254560  -30.54959      36.18248 
1 1 1 15  9   7  o 228.9281 27.37629 15.12316       3.773382  8.417972       3.849133  69.32030       58.06481 
1 1 1 15  9   8  o 481.2400 17.27354 45.24506       4.850552  58.83079       5.508329  -63.43506      34.74012 
1 1 1 15  9   9  f 574.2464 16.70678 72.47052       5.880155  73.16698       6.011850  -2.605774      33.56988 
1 1 1 15  9   10 o 482.4744 17.32793 50.18444       5.016654  52.89046       5.355177  -12.36646      34.87884 
1 1 1 15  9   11 o 209.6504 28.36539 8.617446       3.527856  11.45134       3.664824  -31.03351      58.24761 
1 1 1 15  9   12 o 94.05379 37.79666 -1.876780      3.264970  4.326361       3.488561  -54.51520      61.63368 
1 1 1 15  9   13 o 434.0667 17.13191 40.34095       4.570234  43.08421       4.638294  -14.40268      34.49775 
1 1 1 15  9   14 o 212.9831 26.53750 10.57406       3.391590  9.979410       3.470223  6.887238       54.90057 
1 1 1 15  9   15 o 137.8280 45.10657 2.845864       4.368777  5.859323       4.521018  -27.75105      74.95612 
1 1 1 15  9   16 o 200.7192 41.09738 9.264926       4.944131  9.800447       4.945183  -5.352600      77.82835 
1 1 1 15  9   17 o 359.8520 21.66091 28.41750       4.197268  29.69064       5.814369  -4.063293      46.20427 
1 1 1 15  9   18 o 421.1872 24.92937 43.81947       6.646250  36.07823       6.333438  41.73810       50.77193 
1 1 1 15  9   19 o 156.9108 37.67617 6.877473       4.445711  5.406763       3.131819  17.99805       69.59050 
1 1 1 15  9   20 o 445.4588 15.41158 44.43242       4.275195  43.65620       4.229626  3.891113       31.06000 
1 1 1 15  9   21 o 305.9692 17.33029 19.46239       3.267245  22.44257       3.284471  -22.53894      35.27901 
1 1 1 15  9   22 o 110.7147 34.12016 2.842330       2.632836  3.042153       2.520020  -1.743210      57.59592 
1 1 1 15  9   23 f 122.9132 32.12017 2.534026       2.502029  4.904440       2.450267  -31.03870      55.64320 
1 1 1 15  9   24 o 285.5193 16.81871 19.63115       2.974547  17.39559       2.956787  18.20245       34.50739 
1 1 1 15  9   25 o 134.8703 29.30529 3.087686       2.446624  5.853814       2.321386  -38.88242      53.48789 
1 1 1 15  9   26 o 172.1069 23.81394 6.472818       2.577593  7.722985       2.382619  -19.62166      50.47425 
1 1 1 15  9   27 o 189.2144 21.83673 6.693664       2.578614  10.34031       2.457904  -48.77097      47.92415 
1 1 1 15  9   28 o 73.76949 30.22242 2.148529       2.425864  0.9818605E-01  2.033919  22.34652       49.62999 
1 1 1 15  9   29 f 113.2486 30.92957 7.430902       2.385631  0.5042054      2.107518  87.00248       47.84082 
1 1 1 15  10  0  o 353.4017 22.24359 26.03188       4.850062  29.79557       4.853054  -24.74191      45.32030 
1 1 1 15  10  1  o 223.5612 31.32925 9.977458       4.228114  12.89790       4.223162  -30.35414      64.37168 
1 1 1 15  10  2  o 380.4769 21.94069 30.02134       5.170425  34.34208       5.142547  -26.34558      44.54865 
1 1 1 15  10  3  o 249.1583 28.99179 13.02381       4.454131  14.99531       4.342626  -19.11754      60.23931 
1 1 1 15  10  4  o 299.6604 24.68987 20.05151       4.591252  20.12895       4.507524  -0.8399353     50.48429 
1 1 1 15  10  5  o 266.6037 25.12445 16.22794       4.095783  15.68058       4.116463  4.904388       51.68270 
1 1 1 15  10  6  o 604.3389 17.20961 81.48457       6.498839  80.00928       6.392553  5.437439       34.59454 
1 1 1 15  10  7  o 228.8652 26.91660 11.99872       3.756630  11.67799       3.740162  3.253860       55.67512 
1 1 1 15  10  8  o 183.3027 33.21493 7.145439       3.631390  8.409340       3.644098  -14.74921      64.77363 
1 1 1 15  10  9  o 326.7082 20.79069 22.33811       4.181204  25.15386       4.202198  -19.92715      42.21231 
1 1 1 15  10  10 o 357.8893 19.27803 33.04710       4.436716  24.44670       4.110085  54.64276       39.07898 
1 1 1 15  10  11 o 307.9231 29.52288 21.41872       3.938727  0.000000       0.000000  ?              ?        
1 1 1 15  10  12 o 246.5883 23.85476 11.74798       3.574875  15.61458       3.632624  -36.81705      49.60438 
1 1 1 15  10  13 o 96.93044 37.70441 5.221409       3.330945  -2.070648      3.185706  66.15111       59.96541 
1 1 1 15  10  14 o 571.9715 16.24018 71.66296       5.764218  72.99689       5.748365  -5.373352      32.65027 
1 1 1 15  10  15 o 379.5765 18.25150 33.08763       4.303377  30.85417       4.266640  13.48328       36.84893 
1 1 1 15  10  16 o 655.7519 23.16383 100.5947       9.509170  91.15281       9.309410  32.72638       46.79385 
1 1 1 15  10  17 o 406.4445 24.84555 37.87414       6.131330  36.01829       6.342592  11.19965       50.60698 
1 1 1 15  10  18 o 388.8427 22.42256 32.36073       4.828410  36.17381       6.194322  -18.64230      46.45947 
1 1 1 15  10  19 o 301.5728 28.49609 19.74753       5.358936  21.68108       5.180778  -16.13907      59.44093 
1 1 1 15  10  20 o 582.0758 21.81227 0.000000       0.000000  76.09800       5.559206  ?              ?        
1 1 1 15  10  21 o 230.7589 22.42188 13.63868       3.183825  10.64935       3.154685  30.66553       46.97122 
1 1 1 15  10  22 o 300.9198 17.55864 21.33782       3.281282  19.43420       3.245759  14.55197       35.80257 
1 1 1 15  10  23 o 103.1522 35.51603 4.151627       2.736868  0.8249488      2.767188  34.73071       57.57707 
1 1 1 15  10  24 o 321.8998 16.78777 21.12684       3.349112  25.91070       3.332185  -34.90067      34.58786 
1 1 1 15  10  25 o 230.3560 19.94835 15.01612       3.043622  10.25688       2.643393  45.02837       41.83796 
1 1 1 15  10  26 o 91.53078 33.60114 3.992425       2.666659  0.4486994      2.361538  38.09911       54.47943 
1 1 1 15  10  27 o 81.81377 31.97524 1.939298       2.438211  1.022581       2.271644  10.00379       51.87399 
1 1 1 15  10  28 o 84.40092 32.53045 4.110517       2.495985  -0.4178376     2.326952  44.47478       51.88769 
1 1 1 15  10  29 o 179.9651 23.99709 6.958058       2.829693  9.004163       2.438262  -34.60077      52.59093 
1 1 1 15  11  0  o 373.3772 22.42877 27.25513       5.046025  35.62897       5.305443  -51.23019      45.81280 
1 1 1 15  11  1  o 108.9165 42.25838 3.696797       4.018259  -0.1520654E-01 4.148453  27.42109       69.15039 
1 1 1 15  11  2  o 387.8220 21.65907 32.89902       5.145540  34.11225       5.235443  -7.023926      43.85729 
1 1 1 15  11  3  o 93.91343 41.12389 0.5205270      4.649489  -1.514033      4.490749  13.83440       69.34951 
1 1 1 15  11  4  o 594.7645 18.38557 75.23409       6.623925  81.50485       6.937149  -23.70795      36.97215 
1 1 1 15  11  5  o 341.4432 22.77536 22.75993       4.638191  29.66812       4.971852  -46.07431      46.36580 
1 1 1 15  11  6  o 493.7284 18.36723 54.21899       5.567210  53.69880       5.665121  2.583618       36.98703 
1 1 1 15  11  7  o 275.0962 24.36425 18.59644       4.105307  15.32093       4.124279  28.07803       50.32984 
1 1 1 15  11  8  o 182.3293 33.48291 7.686240       3.612442  7.740517       3.683584  -0.5393982     65.19696 
1 1 1 15  11  9  o 290.9282 22.26839 18.43552       3.937346  19.39384       4.041086  -7.391418      45.38744 
1 1 1 15  11  10 o 172.4827 35.40768 4.795888       3.605514  9.269993       3.720013  -51.29173      65.45727 
1 1 1 15  11  11 o 303.5317 21.75529 18.09821       4.036455  23.10095       4.102498  -38.22522      44.59368 
1 1 1 15  11  12 o 197.5869 30.88415 8.050616       3.619194  9.944352       3.705430  -21.43028      62.24827 
1 1 1 15  11  13 o 351.3357 19.23662 26.80688       4.182990  28.04585       4.169936  -8.176483      38.91317 
1 1 1 15  11  14 f 336.2012 20.11705 22.40853       4.118219  28.06055       4.236859  -38.63434      40.93090 
1 1 1 15  11  15 o 205.8726 32.00121 9.389063       3.869586  10.15982       4.044380  -7.961380      64.70753 
1 1 1 15  11  16 o 127.9093 39.79643 2.950243       3.445971  4.589583       3.541740  -17.73055      66.95354 
1 1 1 15  11  17 o 344.1112 28.80600 28.17505       6.037964  25.33026       6.148614  19.91193       59.49785 
1 1 1 15  11  18 o 144.8997 47.88775 6.970393       4.892504  2.568808       5.121388  34.64240       78.75893 
1 1 1 15  11  19 o 303.6991 25.35606 24.25782       4.215854  15.21415       5.504359  79.61633       60.56143 
1 1 1 15  11  20 o 168.6420 48.12415 4.352224       5.254608  10.10642       5.309314  -49.59798      81.13605 
1 1 1 15  11  21 o 67.00249 31.15847 -0.6043965     3.207595  -2.674825      3.060941  13.82896       53.74007 
1 1 1 15  11  22 o 188.2545 28.44781 7.675964       3.276044  9.092277       3.163987  -18.12744      58.58281 
1 1 1 15  11  23 o 172.3422 29.71690 7.063775       3.052535  7.387940       3.072047  -3.986282      59.67448 
1 1 1 15  11  24 o 302.5614 17.82336 20.12006       3.295192  21.74362       3.366681  -12.03564      36.63694 
1 1 1 15  11  25 o 87.69044 34.07208 2.279704       2.647109  0.8468302      2.665940  12.91479       55.35840 
1 1 1 15  11  26 o 170.3971 28.35713 6.131044       2.967273  8.387606       2.822321  -31.12799      57.74977 
1 1 1 15  11  27 o 62.79197 28.87774 -1.705949      2.704265  0.1969832      2.475244  -8.453545      48.12867 
1 1 1 15  11  28 o 82.50487 34.29033 1.995921       3.303508  0.9264392      2.604716  12.30812       55.69358 
1 1 1 15  11  29 o 107.6477 33.95053 3.052216       2.673797  3.659592       2.412883  -7.148346      56.20114 
1 1 1 15  12  0  o 201.9889 36.90159 9.131311       4.438011  10.31268       4.468884  -12.38649      72.38297 
1 1 1 15  12  1  o 152.8027 52.54126 0.000000       0.000000  5.391650       4.258181  ?              ?        
1 1 1 15  12  2  o 142.4850 44.11355 3.990181       4.348158  5.499755       4.249022  -13.57281      74.27564 
1 1 1 15  12  3  o 123.6932 44.19270 3.595562       4.309045  2.674881       4.265220  8.084885       73.00361 
1 1 1 15  12  4  o 631.0175 19.57456 85.75887       7.512455  90.89886       7.801458  -18.19867      39.40583 
1 1 1 15  12  5  o 108.9219 42.95547 3.903794       4.264721  -0.6123902     4.285210  33.50106       70.43458 
1 1 1 15  12  6  o 258.6049 29.38100 14.54457       4.615540  15.72640       4.644164  -10.72557      60.88485 
1 1 1 15  12  7  o 535.5607 19.00397 61.30542       6.158853  65.93938       6.458798  -19.36365      38.26008 
1 1 1 15  12  8  o 151.6140 42.48759 3.523085       4.079635  7.464267       4.235184  -40.23233      72.38873 
1 1 1 15  12  9  o 280.8659 25.70691 15.73924       4.466334  19.65781       4.393019  -33.19971      53.44661 
1 1 1 15  12  10 o 308.1696 23.62635 28.11959       4.798818  15.93769       4.220749  89.91971       49.10546 
1 1 1 15  12  11 o 126.7815 42.75237 2.265312       4.016755  4.727531       3.952529  -22.06456      70.72438 
1 1 1 15  12  12 o 439.0667 19.53071 46.52726       5.458241  39.45717       5.166036  36.43948       39.43025 
1 1 1 15  12  13 o 284.8008 26.23272 16.32602       4.589659  20.18773       4.575253  -32.08273      54.45289 
1 1 1 15  12  14 o 348.1338 22.87489 23.37799       4.942450  30.66338       4.883221  -48.96655      47.13096 
1 1 1 15  12  15 o 291.4904 35.92878 19.54480       4.496652  0.000000       0.000000  ?              ?        
1 1 1 15  12  16 o 179.7554 49.61239 7.838077       4.039599  0.000000       0.000000  ?              ?        
1 1 1 15  12  17 o 125.6057 44.52538 -3.568568      4.369375  10.07159       4.318595  -109.6337      65.55193 
1 1 1 15  12  18 o 104.9523 44.00198 -2.785413      4.603016  5.255311       5.082397  -55.72240      72.94856 
1 1 1 15  12  19 o 318.9826 27.48150 20.98177       5.213344  25.85138       5.574461  -34.24017      57.04352 
1 1 1 15  12  20 o 266.2486 28.51225 16.50381       3.816783  16.16310       6.399444  20.66995       69.00928 
1 1 1 15  12  21 o 181.7225 47.43496 9.007544       5.209700  8.262579       5.620504  7.192825       83.69462 
1 1 1 15  12  22 o 89.12955 37.84779 0.1134147      4.597789  0.8736759      3.111329  10.29263       63.49596 
1 1 1 15  12  23 o 181.1246 29.11128 5.427011       3.099661  10.75669       3.224009  -64.09636      58.18998 
1 1 1 15  12  24 o 201.8216 27.04537 8.547983       3.213327  11.35877       3.395768  -31.00706      57.33467 
1 1 1 15  12  25 o 223.4748 25.49706 13.78488       3.568616  10.53269       3.381704  32.98471       55.00308 
1 1 1 15  12  26 o 129.4261 36.04320 3.440385       3.113953  5.717846       2.898374  -25.97240      61.41827 
1 1 1 15  12  27 o 88.40318 35.87675 3.594321       3.427059  0.5247632      2.806595  26.29767       58.32587 
1 1 1 15  12  28 o 68.87638 31.03524 -1.153977      2.967221  0.8519745      2.651703  -8.799164      50.70105 
1 1 1 15  12  29 o 153.2744 31.20934 7.306543       3.026585  5.901712       2.729225  13.21230       60.67542 
1 1 1 15  13  0  o 185.3161 40.05116 12.47461       4.562418  4.651535       4.382189  78.77885       71.52591 
1 1 1 15  13  1  o 344.4001 24.15363 32.57652       5.273078  21.63754       4.993218  73.24039       50.29039 
1 1 1 15  13  2  o 281.0401 27.85259 20.75286       4.853259  15.36962       4.732761  45.00792       58.44997 
1 1 1 15  13  3  o 438.7429 21.33966 39.87035       5.700786  46.25742       5.884398  -33.14178      43.25717 
1 1 1 15  13  4  o 287.4666 27.52314 18.83786       4.889180  18.55494       4.808031  2.007874       56.88879 
1 1 1 15  13  5  o 131.4364 52.71746 0.000000       0.000000  2.394473       4.627966  ?              ?        
1 1 1 15  13  6  f 95.39580 42.44423 -1.254190      5.056168  -0.8763542     5.052188  -1.943314      71.79989 
1 1 1 15  13  7  o 158.9028 43.60235 9.615344       4.500217  2.562005       4.357507  68.77850       72.65360 
1 1 1 15  13  8  o 389.4429 21.92721 31.48771       5.156158  36.22467       5.404106  -27.55557      44.39858 
1 1 1 15  13  9  o 363.2651 22.60851 24.33477       4.957892  34.96589       5.188718  -67.32422      46.39999 
1 1 1 15  13  10 o 76.56680 36.00309 -4.894752      4.631338  -1.669313      4.161407  -8.245224      62.63360 
1 1 1 15  13  11 o 548.3053 19.76885 69.09750       6.831746  64.41315       6.600005  19.20270       39.83206 
1 1 1 15  13  12 o 157.2083 49.88759 7.148735       4.689477  2.813328       6.810959  20.86099       83.56455 
1 1 1 15  13  13 o 356.5066 23.63154 27.50787       5.268423  29.25604       5.127599  -11.78931      48.14875 
1 1 1 15  13  14 o 154.3026 44.60822 2.817405       4.626939  8.205002       4.401768  -49.32053      74.45431 
1 1 1 15  13  15 o 194.2511 50.44926 9.212159       4.336364  0.000000       0.000000  ?              ?        
1 1 1 15  13  16 o 290.4429 40.25982 19.78718       4.991269  0.000000       0.000000  ?              ?        
1 1 1 15  13  17 o 303.6090 23.86869 18.79893       4.347675  22.95819       4.579738  -31.19064      49.02546 
1 1 1 15  13  18 o 341.3496 21.70432 25.41008       4.442643  27.06589       4.713367  -10.25705      44.25962 
1 1 1 15  13  19 o 204.8306 31.15491 10.32678       3.718197  9.307067       3.961300  12.72833       63.89646 
1 1 1 15  13  20 o 134.4785 45.92641 3.722502       4.601112  5.047223       4.597188  -10.80594      75.71881 
1 1 1 15  13  21 o 76.08292 35.09454 -1.275638      3.334002  -2.137612      4.730286  -12.45975      60.58472 
1 1 1 15  13  22 o 221.0954 51.14680 12.47400       6.606447  14.96793       7.179848  -15.99393      94.45587 
1 1 1 15  13  23 o 206.4176 41.99689 5.153530       7.619938  13.44178       4.192044  -79.90784      76.77887 
1 1 1 15  13  24 o 129.9496 39.82523 5.004123       3.500540  4.236143       3.526745  7.581451       66.84335 
1 1 1 15  13  25 o 112.8355 39.85040 3.278170       3.494740  3.667056       3.459199  -3.270782      64.70777 
1 1 1 15  13  26 o 118.6264 39.71284 5.021159       3.800175  3.508914       3.163318  13.19830       65.29770 
1 1 1 15  13  27 o 77.33927 34.21692 1.200853       3.490100  -0.4649603E-01 3.035224  10.74348       55.70289 
1 1 1 15  13  28 o 71.00124 32.12510 -0.3884346     3.148087  0.4091512      2.928479  -2.529144      52.22443 
1 1 1 15  13  29 o 68.03431 31.48565 -4.150269      3.218207  3.024336       3.066422  -34.68708      52.09012 
1 1 1 15  14  0  o 245.6377 31.30130 15.40976       4.694748  13.06460       4.628586  22.31419       65.97626 
1 1 1 15  14  1  o 284.1963 27.72873 16.09063       4.789426  21.16183       4.863981  -42.26799      58.53186 
1 1 1 15  14  2  o 155.8439 43.59003 4.746246       4.397078  7.212091       4.359320  -23.77315      74.92405 
1 1 1 15  14  3  o 208.8640 36.57491 14.30305       4.597865  6.484961       4.535111  79.23340       70.39716 
1 1 1 15  14  4  o 164.9853 42.99266 7.502633       4.374859  5.647722       4.516017  18.16655       75.54016 
1 1 1 15  14  5  o 345.2219 24.56763 27.66996       5.158328  25.86782       5.297942  12.68793       50.30067 
1 1 1 15  14  6  o 114.1972 43.91476 1.576080       4.312977  2.866911       4.449216  -11.08547      72.35207 
1 1 1 15  14  7  o 271.1819 29.21060 21.16380       4.822314  12.17722       4.850588  79.10878       62.75625 
1 1 1 15  14  8  o 501.8547 20.90556 49.38248       6.239609  63.78860       6.781997  -64.76523      42.25081 
1 1 1 15  14  9  o 61.12016 30.45967 -6.509428      4.642498  -9.895912      4.601706  10.21116       55.98418 
1 1 1 15  14  10 o 256.4850 30.22807 17.99266       4.890463  12.32832       4.560977  50.82867       62.94405 
1 1 1 15  14  11 o 476.7184 20.75458 53.04000       6.227211  48.14446       6.023475  23.22174       41.90787 
1 1 1 15  14  12 o 538.7158 20.14368 64.75417       6.685881  64.14109       6.754014  2.758057       40.62672 
1 1 1 15  14  13 o 103.6720 43.70339 1.671743       4.836340  -0.5106308     4.765773  14.27416       72.69918 
1 1 1 15  14  14 o 429.0550 26.08723 48.49893       8.589863  37.96222       5.941287  47.54379       54.94884 
1 1 1 15  14  15 o 100.6529 43.75396 1.018383       4.264946  -3.089550      6.710449  -4.911896      74.26453 
1 1 1 15  14  16 o 137.4605 42.44515 6.706269       3.938576  2.143153       4.026642  43.36492       70.09397 
1 1 1 15  14  17 o 262.9718 26.87907 13.23223       4.173378  18.76478       4.490169  -48.28635      56.30193 
1 1 1 15  14  18 o 315.1143 23.10961 23.80920       4.386194  21.01746       4.592652  21.82886       47.79771 
1 1 1 15  14  19 o 135.0210 42.76156 5.969839       3.951063  2.873201       4.082274  28.30070       70.95388 
1 1 1 15  14  20 o 306.3299 24.81222 19.09154       4.556182  24.39927       4.802675  -39.45508      51.79225 
1 1 1 15  14  21 o 135.5782 47.31022 1.128904       4.649351  9.175214       5.173322  -63.20849      76.22501 
1 1 1 15  14  22 o 237.6490 35.76888 13.32503       5.013419  15.13202       5.211700  -15.43916      75.37739 
1 1 1 15  14  23 o 117.4919 54.58425 1.548944       8.814775  -0.5774418     10.57170  -0.2813721E-01 86.48089 
1 1 1 15  14  24 o 118.8966 55.06779 3.251935       9.463347  -0.5139416     9.810040  8.344940       86.48945 
1 1 1 15  14  25 o 104.4008 39.69938 5.036856       3.737177  1.047035       3.393210  32.34937       63.85295 
1 1 1 15  14  26 o 110.8880 39.92732 7.088217       3.720984  0.8691722      3.325837  51.74616       63.62548 
1 1 1 15  14  27 o 89.48790 37.11293 3.971903       3.508081  0.1803321E-01  3.261753  27.47864       59.34353 
1 1 1 15  14  28 o 61.46434 29.46762 -0.8980269     3.246871  -2.579844      3.208175  7.131752       49.27276 
1 1 1 15  14  29 o 77.40592 34.32422 -1.278919      3.720862  2.288702       2.962276  -14.17478      54.28926 
1 1 1 15  15  0  o 152.6234 54.14267 1.632921       6.208722  11.35491       6.663151  -63.87511      86.93872 
1 1 1 15  15  1  o 119.6136 49.73659 0.2896293E-01  5.917256  4.347599       6.278011  -25.37865      81.24128 
1 1 1 15  15  2  o 172.7834 41.43919 8.486445       4.429354  6.418989       4.340405  21.04437       74.80270 
1 1 1 15  15  3  o 228.0130 31.96508 12.06232       4.335220  12.32353       4.461835  -1.915222      66.37468 
1 1 1 15  15  4  o 149.2278 42.55052 6.697021       4.084547  4.135845       4.178571  25.00327       72.65138 
1 1 1 15  15  5  o 390.2835 22.06781 31.24128       5.153100  37.53294       5.506173  -36.14804      44.89616 
1 1 1 15  15  6  o 242.0238 30.70303 15.06510       4.422596  11.79797       4.594164  32.84001       64.37299 
1 1 1 15  15  7  o 269.0864 27.89590 10.07456       4.351239  24.50725       4.870333  -123.8386      60.41090 
1 1 1 15  15  8  o 122.1662 42.91985 2.045280       3.966614  4.386965       4.094739  -21.55143      70.78194 
1 1 1 15  15  9  o 98.08139 40.47197 2.096571       3.908886  -0.4752620     4.075781  16.26791       66.90741 
1 1 1 15  15  10 o 388.0187 22.14282 40.99453       5.566237  27.52522       5.081895  78.78415       45.27680 
1 1 1 15  15  11 o 254.3826 30.25322 20.51643       4.946047  10.16612       4.453617  93.11990       63.58452 
1 1 1 15  15  12 o 296.1504 37.29251 0.000000       0.000000  20.39883       4.737169  ?              ?        
1 1 1 15  15  13 o 296.9782 26.63912 23.64205       4.970018  16.62285       4.748411  54.93423       55.67957 
1 1 1 15  15  14 o 206.6366 51.43959 0.000000       0.000000  10.66901       4.644078  ?              ?        
1 1 1 15  15  15 o 181.6470 48.05724 7.049751       4.526186  11.46984       7.591600  -38.80528      88.58363 
1 1 1 15  15  16 o 129.3321 45.78419 3.705237       4.579193  3.725853       4.603959  -0.3284760     75.44388 
1 1 1 15  15  17 o 275.9810 30.17620 20.29127       5.035587  14.93760       5.129652  47.30534       64.37626 
1 1 1 15  15  18 o 200.1115 40.49617 9.643323       4.704133  10.18661       5.019508  -4.199844      77.64101 
1 1 1 15  15  19 o 92.51112 40.78538 -4.040216      4.375535  4.425120       4.777435  -51.82243      68.54230 
1 1 1 15  15  20 o 216.7112 36.05683 8.918652       4.400354  15.07040       5.013106  -57.68857      72.50765 
1 1 1 15  15  21 o 96.91162 44.46338 -1.174351      4.293378  0.000000       0.000000  ?              ?        
1 1 1 15  15  22 o 225.3746 37.55650 10.57538       5.162093  15.64509       4.974882  -51.80252      76.61896 
1 1 1 15  15  23 o 116.5480 45.63589 2.408734       4.656110  4.821962       4.947928  -16.04197      72.96869 
1 1 1 15  15  24 f 116.3003 48.14275 3.487329       4.009193  0.000000       0.000000  ?              ?        
1 1 1 15  15  25 o 134.9446 61.11267 9.069084       10.64896  6.812372       11.39629  5.069305       90.18037 
1 1 1 15  15  26 o 105.2140 40.64697 1.433683       4.069057  4.687464       3.519198  -21.11555      63.73492 
1 1 1 15  15  27 o 100.7981 38.97202 -0.1440644     3.542293  5.881052       3.387900  -43.46292      60.77736 
1 1 1 15  15  28 o 88.01431 38.50524 -0.2999962     4.156639  3.766019       3.853862  -18.72585      60.07998 
1 1 1 15  15  29 o 83.93116 35.45142 1.573533       3.287652  2.105306       3.062377  -2.521912      55.54967 
1 1 1 15  16  0  o 133.2393 51.20578 6.110012       5.899026  2.137786       6.006219  23.45715       82.51060 
1 1 1 15  16  1  o 186.5777 51.91018 16.77095       8.270125  6.694760       5.201311  68.21063       93.13478 
1 1 1 15  16  2  o 298.2547 51.93357 24.72878       9.090401  22.55691       9.438407  19.22647       106.3849 
1 1 1 15  16  3  o 88.35609 39.70269 -2.296360      4.481122  0.6233742      4.602342  -16.51285      66.77847 
1 1 1 15  16  4  o 242.1022 33.89832 13.18278       4.840365  14.67180       5.070785  -12.87718      70.72996 
1 1 1 15  16  5  o 276.1923 29.94410 20.71359       5.028908  14.60448       5.067874  53.47948       63.97998 
1 1 1 15  16  6  o 125.8742 44.97932 2.964341       4.382122  4.018849       4.502575  -9.349625      74.03549 
1 1 1 15  16  7  o 307.8705 27.21706 22.32600       5.135904  20.91362       5.152917  10.97476       56.45783 
1 1 1 15  16  8  o 122.6380 51.02356 1.652264       4.535493  0.000000       0.000000  ?              ?        
1 1 1 15  16  9  o 247.5394 34.24754 12.85708       4.930449  16.00379       5.328985  -27.62347      70.99877 
1 1 1 15  16  10 o 165.5722 46.10062 2.857431       4.620405  11.77515       5.259252  -82.38249      76.57804 
1 1 1 15  16  11 o 143.1613 47.66941 7.433221       4.982249  2.233620       4.928401  42.69212       78.12008 
1 1 1 15  16  12 o 302.0348 30.92481 20.53672       5.647033  21.47515       5.779909  -6.700897      64.69462 
1 1 1 15  16  13 o 179.6662 46.21414 8.114834       5.229706  7.917243       5.131134  1.874954       81.88477 
1 1 1 15  16  14 o 190.7058 56.25962 0.000000       0.000000  9.420380       5.027834  ?              ?        
1 1 1 15  16  15 o 312.4384 30.15495 21.36539       5.652390  23.85298       5.899232  -17.54184      63.16689 
1 1 1 15  16  16 o 131.3236 47.17535 4.003209       4.907213  3.815963       4.877508  1.592239       77.42985 
1 1 1 15  16  17 o 512.7371 21.85626 59.71506       6.811512  59.17927       7.066910  3.636536       44.57834 
1 1 1 15  16  18 o 184.4934 55.82687 9.439591       4.902824  0.000000       0.000000  ?              ?        
1 1 1 15  16  19 o 133.9250 46.22457 5.184641       4.668365  3.920326       4.656762  10.02328       75.82745 
1 1 1 15  16  20 o 156.3300 46.07153 5.429837       4.606454  8.062121       4.953118  -22.75542      78.18244 
1 1 1 15  16  21 o 110.7137 44.61338 4.528361       4.717086  0.6468571      4.704375  24.20951       71.77920 
1 1 1 15  16  22 o 118.1882 45.39143 4.957695       4.589767  2.410452       4.764832  16.09518       72.42569 
1 1 1 15  16  23 o 219.7391 37.82023 11.23808       4.848905  14.82259       5.099132  -32.07016      77.59148 
1 1 1 15  16  24 o 67.47672 32.96607 -2.076049      4.613169  -6.066546      4.495680  13.17256       56.61297 
1 1 1 15  16  25 o 112.3722 44.10593 6.554966       4.749270  1.721633       4.266059  30.11923       69.73576 
1 1 1 15  16  26 o 98.83648 50.10282 0.000000       0.000000  -7.247614      11.04889  ?              ?        
1 1 1 15  16  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  16  28 o 57.29650 28.03670 0.5406690      3.704407  -4.923007      3.053176  24.65121       49.01071 
1 1 1 15  16  29 o 89.80276 36.58459 0.4395003      3.399035  4.316086       3.045244  -24.35570      56.46010 
1 1 1 15  17  0  o 143.0349 48.90138 7.501310       5.180165  3.586410       5.249671  28.61778       79.49204 
1 1 1 15  17  1  o 192.1128 51.36075 4.557852       6.039437  16.83677       6.459089  -94.57086      85.29921 
1 1 1 15  17  2  o 208.6492 53.18810 12.25893       6.336980  11.81452       7.656014  8.590286       94.80669 
1 1 1 15  17  3  o 273.3239 62.08946 29.07035       10.79200  15.94480       9.846350  76.22818       113.6686 
1 1 1 15  17  4  o 101.2416 49.03205 -2.492024      9.636966  -12.32350      9.351244  24.49838       84.26108 
1 1 1 15  17  5  o 116.0593 46.30886 4.209283       4.978833  0.4300199      5.069787  23.58471       75.35303 
1 1 1 15  17  6  o 136.0068 48.20981 3.131060       5.036168  5.665793       5.150416  -19.52397      78.97597 
1 1 1 15  17  7  o 119.5191 47.20016 4.733560       5.033663  0.1175419      5.313682  27.67567       76.63944 
1 1 1 15  17  8  o 561.5624 22.31701 71.94193       7.682730  70.26268       7.836812  7.585449       45.41253 
1 1 1 15  17  9  o 91.06885 41.41286 5.344380       5.129746  -8.309741      5.104339  67.83231       70.43769 
1 1 1 15  17  10 o 161.1491 49.19214 10.57891       5.285384  2.232754       5.453660  67.18774       79.87706 
1 1 1 15  17  11 o 132.1645 48.56599 5.021589       5.037058  2.391278       5.436357  16.17902       79.27921 
1 1 1 15  17  12 o 92.45028 42.09713 -3.517506      5.232042  0.4228588      5.390793  -19.82968      71.33058 
1 1 1 15  17  13 o 141.5291 49.30016 2.393129       5.179136  7.385426       5.449527  -38.69638      80.61234 
1 1 1 15  17  14 o 119.6282 48.82095 -3.708203      6.094653  6.787372       5.414108  -54.42706      78.06780 
1 1 1 15  17  15 o 125.4133 47.73191 8.098846       5.161051  -1.422264      5.116706  65.50700       75.96585 
1 1 1 15  17  16 o 121.3920 47.56769 4.803268       5.047377  0.7317363      5.396457  23.76496       77.01331 
1 1 1 15  17  17 o 229.4795 39.81474 11.56429       5.359295  14.88310       5.571398  -29.98851      80.10599 
1 1 1 15  17  18 o 89.16914 40.28135 -2.756789      4.823634  1.048156       4.670654  -16.93952      67.18295 
1 1 1 15  17  19 o 116.9194 47.01609 2.576430       4.836964  3.114410       5.711447  -7.941887      76.26474 
1 1 1 15  17  20 o 172.3829 46.62972 8.692560       5.099622  8.089263       5.111871  5.288712       81.21465 
1 1 1 15  17  21 o 111.0723 44.57145 0.8105833      4.740566  4.954055       4.623482  -24.81504      71.08456 
1 1 1 15  17  22 o 158.4159 46.63667 5.651756       4.814345  9.620738       4.969951  -31.99518      78.19006 
1 1 1 15  17  23 o 96.12357 41.42591 4.492073       4.582216  -1.270401      4.393222  31.86604       66.79612 
1 1 1 15  17  24 o 163.3820 45.00824 3.108223       4.694311  13.85979       4.719213  -88.80607      72.14806 
1 1 1 15  17  25 o 170.7195 46.09406 10.60118       5.250257  9.144232       4.773099  6.310013       79.41894 
1 1 1 15  17  26 o 85.19686 38.92009 0.9975299      4.707421  0.5776775      4.473159  2.639572       61.58698 
1 1 1 15  17  27 o 86.80141 41.74499 0.4774100E-01  4.661654  0.000000       0.000000  ?              ?        
1 1 1 15  17  28 o 97.64083 47.09368 10.56643       8.595076  -3.136745      8.475026  22.17186       70.24729 
1 1 1 15  17  29 o 96.51821 40.50010 3.624679       4.267109  3.646718       3.938296  -0.4093781     61.20340 
1 1 1 15  18  0  o 89.25940 41.42768 -4.135402      5.289214  1.463279       5.725909  -25.26385      69.57253 
1 1 1 15  18  1  o 96.40984 43.38085 -2.596784      5.165607  2.658744       5.767130  -27.97520      72.14517 
1 1 1 15  18  2  o 278.0251 37.41795 21.37687       6.278590  17.37470       6.300655  34.98883       80.75713 
1 1 1 15  18  3  o 164.2270 54.76891 3.256302       6.176043  13.25887       6.978106  -67.19366      88.87061 
1 1 1 15  18  4  o 173.0389 50.89200 10.77682       5.677533  5.553916       5.986362  40.80492       85.10378 
1 1 1 15  18  5  f 124.8292 58.34796 -11.53083      10.56950  10.57112       11.98190  -61.51528      98.10630 
1 1 1 15  18  6  o 187.0027 70.97884 12.12917       10.67684  9.408746       12.15432  10.41272       111.8813 
1 1 1 15  18  7  o 138.0349 50.27764 4.349223       5.494176  4.894559       5.672904  -4.478439      81.95021 
1 1 1 15  18  8  o 123.7769 49.30518 0.9168992      5.395826  5.365635       6.027076  -30.60797      80.53802 
1 1 1 15  18  9  o 110.6241 47.13917 -1.834792      5.394585  4.773383       6.033241  -40.15834      78.00584 
1 1 1 15  18  10 o 114.2097 48.08099 3.515937       5.561567  -0.9017088     6.067669  19.58128       78.41416 
1 1 1 15  18  11 o 134.7916 51.16455 -0.4198065     5.562054  9.792001       6.295263  -69.23096      82.60123 
1 1 1 15  18  12 o 256.9310 42.90898 15.42676       6.434127  17.68823       6.774642  -16.99355      87.66070 
1 1 1 15  18  13 o 205.6300 51.32333 9.998440       6.215811  12.86779       6.886790  -21.13795      92.08526 
1 1 1 15  18  14 o 294.3743 38.62557 22.07843       6.774947  20.38373       6.996985  16.08926       82.94707 
1 1 1 15  18  15 o 167.3806 52.67600 6.124002       5.967691  9.361240       6.244930  -23.92023      87.71236 
1 1 1 15  18  16 o 143.6055 52.18551 4.559894       5.833649  6.275004       6.199341  -12.09712      84.68105 
1 1 1 15  18  17 o 103.2953 45.39765 -0.5602560     5.557153  1.584288       5.670262  -10.95706      74.42991 
1 1 1 15  18  18 o 210.3390 44.37883 11.25618       5.539900  12.50782       5.678868  -10.34128      84.63786 
1 1 1 15  18  19 o 119.5788 47.18778 5.589427       5.244462  1.502413       5.082794  25.38878       75.60749 
1 1 1 15  18  20 o 97.06437 42.85619 6.702427       5.148040  -4.598559      4.968938  56.29161       70.13026 
1 1 1 15  18  21 o 182.5016 47.01493 7.704844       5.190624  12.57861       5.536536  -38.30455      82.53508 
1 1 1 15  18  22 o 129.6346 47.46531 3.742316       4.927476  6.703843       5.042654  -19.39066      75.50987 
1 1 1 15  18  23 o 110.5943 45.45805 4.528631       4.753758  2.160441       5.306993  11.09530       71.12554 
1 1 1 15  18  24 o 89.14245 40.25168 -0.1957531     4.655080  2.105028       4.813399  -10.29312      64.08770 
1 1 1 15  18  25 o 83.59701 38.86544 4.845196       4.949800  -4.068666      4.789408  32.85032       62.91100 
1 1 1 15  18  26 o 66.42678 32.50280 -1.137225      4.770292  -4.709378      4.230924  13.50761       54.49606 
1 1 1 15  18  27 o 84.14236 38.43601 2.867972       4.861272  0.4482501      4.162673  10.69084       59.89201 
1 1 1 15  18  28 o 73.39074 35.11146 2.765375       4.746700  -3.114296      4.339495  18.93215       56.25964 
1 1 1 15  19  0  o 109.3103 47.47042 3.958384       5.811530  -0.9478911     6.163229  20.14563       76.26459 
1 1 1 15  19  1  f 141.8020 51.43127 5.923936       5.626955  5.821064       6.061165  0.2155151      82.54748 
1 1 1 15  19  2  o 165.3674 51.41387 9.685234       5.613368  6.281138       6.076008  25.56941       84.85209 
1 1 1 15  19  3  o 155.7280 51.55284 7.981534       5.580228  5.916313       6.042099  14.47905       84.25251 
1 1 1 15  19  4  o 108.9724 48.75185 -1.699778      6.334781  3.085787       7.295277  -24.49778      80.21503 
1 1 1 15  19  5  o 114.6194 50.99426 -1.160033      6.686657  3.419698       8.105036  -25.26321      83.94221 
1 1 1 15  19  6  f 100.4759 46.05769 -0.5538591     6.151935  -1.914545      6.903685  -0.2854080     76.20900 
1 1 1 15  19  7  o 241.1768 77.24083 23.08971       12.16227  19.26939       14.21816  25.06001       123.3236 
1 1 1 15  19  8  o 128.2407 60.22847 -3.204149      11.06920  0.5644621      13.72820  -17.20357      98.05820 
1 1 1 15  19  9  o 137.3470 53.68530 3.035694       6.401534  6.208054       6.877041  -19.16373      86.50155 
1 1 1 15  19  10 o 86.47444 41.29168 -1.893710      5.979865  -6.945755      6.447323  12.06612       70.55302 
1 1 1 15  19  11 o 130.8745 51.87066 2.918271       5.902107  4.814899       6.697073  -14.19493      84.02966 
1 1 1 15  19  12 o 102.1858 46.43634 2.835513       6.240987  -5.174967      6.615318  28.89578       76.98047 
1 1 1 15  19  13 o 197.1674 54.74677 9.549112       6.666599  12.83785       7.234863  -22.36618      94.54545 
1 1 1 15  19  14 o 184.6245 55.33791 2.094035       6.480259  19.61516       7.258261  -120.5669      87.12820 
1 1 1 15  19  15 o 152.1362 54.75898 3.574236       6.329534  10.02957       6.897693  -40.02112      88.28868 
1 1 1 15  19  16 o 153.2303 54.47943 4.799483       6.326852  9.127152       6.704179  -26.77519      87.80254 
1 1 1 15  19  17 o 122.4839 50.95304 1.431043       6.194575  5.427386       6.616854  -20.75699      81.47875 
1 1 1 15  19  18 o 170.6133 55.02318 9.867435       6.399560  8.914492       6.875282  7.593674       89.66697 
1 1 1 15  19  19 o 130.6459 51.86150 6.973328       6.061069  2.979011       6.500229  19.47699       81.26583 
1 1 1 15  19  20 o 137.1214 52.27536 6.755073       5.820767  5.100420       6.590897  8.708679       82.07716 
1 1 1 15  19  21 o 88.99216 41.57417 0.1382990      5.353627  -2.483876      6.069912  4.564774       67.71811 
1 1 1 15  19  22 o 82.11745 39.29338 -2.454047      5.331566  -1.903136      6.102187  -6.113571      64.58899 
1 1 1 15  19  23 o 110.1462 46.34419 7.910362       5.273167  -0.6810033     5.497861  39.42258       71.77149 
1 1 1 15  19  24 o 81.30242 38.74203 -2.000698      5.211223  0.3353792      5.610914  -8.456032      62.15118 
1 1 1 15  19  25 o 113.9737 46.24055 6.639852       5.290427  3.682349       4.927712  13.69043       70.44866 
1 1 1 15  19  26 o 107.6545 44.39125 2.367973       4.701470  7.312588       4.895185  -22.89531      67.18842 
1 1 1 15  19  27 o 77.30494 36.38158 2.307918       4.617810  -1.345996      4.367038  12.65797       57.24396 
1 1 1 15  19  28 o 61.18506 30.24855 -3.504504      4.308223  -2.457453      4.132622  -1.469299      49.38988 
1 1 1 15  20  0  o 119.3730 49.34629 4.776651       5.747537  2.002439       6.165681  12.26439       78.09325 
1 1 1 15  20  1  o 141.7266 54.16951 5.939126       6.315964  6.698228       7.010798  -4.268250      85.50417 
1 1 1 15  20  2  o 92.14391 43.66292 -5.568256      6.300935  0.9651738      7.113895  -25.18362      73.45226 
1 1 1 15  20  3  o 107.8992 48.66039 2.837216       6.623087  -1.744456      7.194187  13.65967       78.23820 
1 1 1 15  20  4  o 121.1465 51.15659 -0.3799448     6.326091  7.216137       6.903190  -36.83973      82.07803 
1 1 1 15  20  5  o 177.8930 55.97565 8.375938       6.590192  11.59638       7.235316  -19.18459      92.51391 
1 1 1 15  20  6  o 93.50236 44.81091 -6.065241      6.918249  -1.767206      8.121353  -19.37568      75.95205 
1 1 1 15  20  7  o 213.7614 59.69467 10.93629       7.727673  18.34066       8.814554  -41.89906      102.3602 
1 1 1 15  20  8  o 136.2670 54.93372 7.919052       6.769640  0.5393043      7.591980  32.51954       86.77483 
1 1 1 15  20  9  o 126.5854 60.47383 -12.03425      12.48843  10.16012       14.37673  -45.93858      99.43309 
1 1 1 15  20  10 o 137.4987 58.49992 10.13321       12.69212  2.797332       7.070314  34.41525       96.72521 
1 1 1 15  20  11 o 103.9167 47.13277 -0.6069461     6.197389  0.4181262      7.032116  -8.818779      77.15302 
1 1 1 15  20  12 o 122.9907 51.45142 0.6405641E-01  6.140987  7.376115       7.116123  -38.26810      83.13477 
1 1 1 15  20  13 o 136.9332 53.56181 4.356701       6.381626  6.105656       6.842359  -10.13983      85.22424 
1 1 1 15  20  14 o 143.0240 54.33307 8.098497       6.494587  3.790148       6.818611  22.82219       85.95839 
1 1 1 15  20  15 o 106.9035 48.12338 3.689714       6.470117  -2.783623      6.966578  21.39275       77.55060 
1 1 1 15  20  16 o 119.8985 51.10777 4.575113       6.408764  1.578752       7.009362  10.73631       80.73254 
1 1 1 15  20  17 o 127.2304 52.09319 2.135814       6.198662  7.547238       6.953481  -26.78854      82.42908 
1 1 1 15  20  18 o 82.35032 39.79410 -5.480713      5.918045  -2.181383      6.444746  -12.68696      67.04079 
1 1 1 15  20  19 o 108.5900 47.90834 -0.6405425     5.933997  5.492621       6.760505  -27.31824      76.80380 
1 1 1 15  20  20 o 109.9081 48.00417 1.777270       5.717674  4.004703       6.801242  -11.81841      75.79930 
1 1 1 15  20  21 o 158.7005 54.78635 10.82650       6.102777  8.121479       7.112152  19.36928       85.26726 
1 1 1 15  20  22 o 88.33498 41.89882 -0.1821678     5.782301  -1.383902      6.651345  -0.2315903     66.82983 
1 1 1 15  20  23 o 99.17156 46.34058 0.7649165      6.556647  4.016605       7.704664  -9.738533      71.19480 
1 1 1 15  20  24 o 92.37098 43.39929 -1.619354      6.155302  4.770379       6.538794  -17.52213      67.35565 
1 1 1 15  20  25 o 90.64496 42.21706 0.1898006      5.459734  3.807050       6.172711  -11.44989      65.02356 
1 1 1 15  20  26 o 75.63510 36.88208 -1.938977      5.355904  -0.2285769     5.933325  -5.393654      57.98545 
1 1 1 15  20  27 o 80.94988 38.34686 2.567354       4.928934  -0.3384119     5.375215  6.850288       58.48602 
1 1 1 15  21  0  o 103.2781 50.94342 0.000000       0.000000  -6.829342      8.293804  ?              ?        
1 1 1 15  21  1  o 104.4924 47.85593 4.247779       6.618985  -4.389116      7.434876  24.38148       76.69025 
1 1 1 15  21  2  o 106.6906 48.61229 -5.610800      6.709911  9.028487       7.553949  -53.92821      79.99178 
1 1 1 15  21  3  o 147.9548 56.37970 9.090332       6.879412  4.922527       7.512078  20.60182       88.09061 
1 1 1 15  21  4  o 134.3077 54.09419 6.074085       6.490312  4.340920       7.452897  6.559250       84.80848 
1 1 1 15  21  5  o 109.7941 49.36896 1.472207       6.727945  0.9882445      7.385520  -1.012108      78.86065 
1 1 1 15  21  6  o 132.1994 53.95702 6.768465       6.657944  2.580136       7.384150  17.42977       84.60116 
1 1 1 15  21  7  o 152.5420 56.48033 6.504290       6.741231  8.631227       7.499097  -10.99562      89.56219 
1 1 1 15  21  8  o 95.40762 45.51621 -2.250899      7.220937  -4.524699      7.810699  2.612793       75.33134 
1 1 1 15  21  9  o 109.4785 49.80111 -0.8233582     7.057409  1.745522       7.815592  -12.20199      80.64079 
1 1 1 15  21  10 o 107.8894 48.71359 9.544732       6.800755  -9.364035      7.066395  70.40626       79.76631 
1 1 1 15  21  11 o 145.7392 70.96211 1.780913       14.56634  0.000000       0.000000  ?              ?        
1 1 1 15  21  12 o 139.0238 68.06301 -0.9580822     13.93891  0.000000       0.000000  ?              ?        
1 1 1 15  21  13 o 138.8351 54.12877 7.418798       6.567038  3.824478       6.889614  17.85448       85.29303 
1 1 1 15  21  14 o 84.41867 40.71607 -3.675566      6.268092  -4.650063      6.496144  1.075554       68.43603 
1 1 1 15  21  15 o 174.6155 55.35080 5.152155       6.520034  15.54166       6.952488  -64.94481      89.22686 
1 1 1 15  21  16 o 121.2622 51.36995 8.420313       6.320017  -2.341967      7.124488  43.16328       80.28837 
1 1 1 15  21  17 o 116.1880 49.65443 2.483712       6.226880  4.057198       6.466069  -7.374420      78.17120 
1 1 1 15  21  18 o 167.3840 54.55258 12.60774       6.435551  7.045739       6.570282  34.51576       87.13712 
1 1 1 15  21  19 o 136.8175 53.34200 11.54351       6.315926  1.562605       6.764116  47.88702       81.53444 
1 1 1 15  21  20 o 95.43988 44.23136 2.231086       5.856642  -1.467528      6.682252  8.346642       69.82661 
1 1 1 15  21  21 o 90.42790 42.67640 -0.8104122     5.686058  1.080505       7.030658  -9.650780      67.86451 
1 1 1 15  21  22 o 69.18592 34.83131 -11.40568      6.453938  -4.575630      7.249435  -13.93052      58.78831 
1 1 1 15  21  23 o 84.69011 41.24918 -4.632896      6.456926  3.185466       7.642501  -18.37829      65.70592 
1 1 1 15  21  24 o 105.1742 47.18162 8.072879       6.185379  0.8535457      6.600654  21.60596       70.27490 
1 1 1 15  21  25 o 73.19043 36.22264 -0.3992101     5.728970  -5.622585      6.571761  6.343750       57.28809 
1 1 1 15  21  26 o 73.42370 36.25225 -3.879657      5.619899  0.7020651      6.443003  -10.30671      57.14289 
1 1 1 15  21  27 o 86.52163 41.58730 2.690009       6.049640  3.587617       7.125411  -1.711777      61.02797 
1 1 1 15  22  2  o 132.2591 55.60202 3.906003       6.895692  8.923674       8.986998  -19.28331      86.69074 
1 1 1 15  22  3  o 140.9680 64.58025 0.000000       0.000000  7.586687       9.011776  ?              ?        
1 1 1 15  22  4  o 137.1280 56.78133 7.676717       7.138778  4.672429       8.943671  10.70018       86.99783 
1 1 1 15  22  5  o 156.8607 58.21832 5.174733       6.703359  14.95975       8.799879  -42.98677      92.81345 
1 1 1 15  22  6  o 135.8863 55.38505 10.87648       6.736498  -1.408069      8.184312  49.16715       84.77152 
1 1 1 15  22  7  o 88.80626 42.58877 -1.307655      6.493372  -5.138761      7.045487  6.967812       70.22837 
1 1 1 15  22  8  o 111.7178 49.34905 -0.2846575     6.486567  5.044773       6.961977  -21.89444      78.53651 
1 1 1 15  22  9  o 92.85950 43.47531 -3.151647      6.139060  0.6747010      6.400117  -13.90540      71.28980 
1 1 1 15  22  10 o 114.4889 50.41357 2.755199       6.676253  2.121562       7.265735  0.4357605      79.62961 
1 1 1 15  22  11 o 112.5350 50.02398 9.776847       6.976477  -5.706172      7.032183  57.68829       80.21021 
1 1 1 15  22  12 o 82.37471 39.89486 -5.047690      5.936638  -3.025244      6.698905  -10.43958      67.13625 
1 1 1 15  22  13 o 122.8161 58.94173 0.7082679      13.33343  1.103955       12.66547  0.3730164      90.81415 
1 1 1 15  22  14 o 130.9645 62.75709 8.111576       14.18141  -0.5685487     15.05445  11.30428       94.49636 
1 1 1 15  22  15 o 102.8984 46.41708 -0.5709388E-01 6.172594  2.652398       6.382470  -10.65129      73.86817 
1 1 1 15  22  16 o 77.54874 38.24154 -2.715360      6.037475  -10.77585      7.339435  8.694572       64.25959 
1 1 1 15  22  17 o 105.4356 47.24290 -1.040061      6.122612  5.972899       6.670192  -26.60644      74.75250 
1 1 1 15  22  18 o 96.54179 46.49807 -1.289476      5.833857  0.000000       0.000000  ?              ?        
1 1 1 15  22  19 o 91.39240 43.07561 -5.613393      6.119493  6.293828       6.569246  -35.87492      69.92858 
1 1 1 15  22  20 o 114.8177 50.54944 9.948634       6.832057  0.9942300E-01  7.152956  31.32687       76.18250 
1 1 1 15  22  21 o 90.60774 42.93363 -0.1193697     6.469383  1.496386       6.427989  -3.909943      66.59045 
1 1 1 15  22  22 o 106.4375 47.69831 1.573017       6.480706  7.395095       6.529195  -17.65209      71.58027 
1 1 1 15  22  23 o 99.23788 45.23713 0.3242355      5.984868  7.499481       6.335060  -20.89302      68.28300 
1 1 1 15  22  24 o 74.85541 36.87695 -3.815280      5.896666  0.3244354      6.283240  -8.635651      58.05634 
1 1 1 15  22  25 o 77.64891 38.01324 -0.5141491     5.831993  -0.4463985     6.517899  -1.526016      58.50149 
1 1 1 15  22  26 o 83.44606 40.31408 1.717947       5.673512  3.187705       7.246257  -3.285248      59.78311 
1 1 1 15  23  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  23  4  o 89.80307 42.93665 -4.709877      6.497829  0.6856247      7.035427  -16.95216      70.42263 
1 1 1 15  23  5  o 95.88470 44.92793 -0.6793974     6.466675  -0.5675988     6.992033  -2.673843      72.25760 
1 1 1 15  23  6  o 104.0048 47.12606 5.028369       6.371578  -2.529788      6.752607  24.43673       74.60351 
1 1 1 15  23  7  o 126.1669 52.11252 8.181858       6.492199  1.528122       6.763339  28.77340       80.80472 
1 1 1 15  23  8  o 99.18721 45.60023 1.446284       6.258287  -1.006094      6.618876  6.531662       73.00291 
1 1 1 15  23  9  o 91.50650 43.17265 2.785090       6.347797  -5.457671      6.433083  24.19968       70.53148 
1 1 1 15  23  10 o 123.0039 51.18367 6.064191       6.396131  3.442660       6.517378  11.16875       79.24608 
1 1 1 15  23  11 o 122.5921 51.40569 12.14986       6.786837  -1.752263      6.403489  60.35448       80.46154 
1 1 1 15  23  12 o 109.1544 48.02977 -3.135792      6.109119  9.398178       6.509504  -50.63151      76.53442 
1 1 1 15  23  13 o 127.5062 53.85841 5.460473       7.238258  6.102006       7.393191  -2.391365      82.17260 
1 1 1 15  23  14 o 104.7520 48.39183 0.6700959      7.532060  2.299828       7.213965  -3.728882      75.54530 
1 1 1 15  23  15 o 123.8765 60.25524 7.387114       13.67470  3.820260       16.12350  3.505661       88.28378 
1 1 1 15  23  16 o 123.0111 61.26194 7.222991       13.12726  0.000000       0.000000  ?              ?        
1 1 1 15  23  17 o 104.5939 47.21077 2.642337       6.284373  3.162648       6.745768  -2.393799      72.57494 
1 1 1 15  23  18 o 88.85982 42.79928 -1.132098      6.566411  -0.6953636     7.510369  -3.787003      67.52039 
1 1 1 15  23  19 o 90.72410 43.54463 -2.882107      6.927360  3.070660       7.268982  -13.74510      68.12256 
1 1 1 15  23  20 o 97.24508 46.04345 8.221425       7.483351  -4.046676      7.299155  27.89620       71.24933 
1 1 1 15  23  21 o 80.13000 39.34560 -4.495678      6.842169  -0.5069846     6.640200  -6.759354      62.41777 
1 1 1 15  23  22 o 99.63488 45.59572 7.450073       6.374051  1.284221       6.287333  16.50964       67.65070 
1 1 1 15  23  23 o 93.26752 43.84715 1.855102       6.367462  5.378489       6.613652  -7.924973      64.82217 
1 1 1 15  23  24 f 70.18716 35.10993 0.2984391      6.672934  -7.113896      6.156291  12.26218       55.96651 
1 1 1 15  23  25 o 74.75984 36.97114 0.8093439      5.865304  -2.640525      6.895736  3.536018       56.37463 
1 1 1 15  24  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  24  6  o 94.30580 44.21136 1.379546       6.339845  -2.010945      6.707800  8.326767       70.48209 
1 1 1 15  24  7  o 91.30730 43.07029 -2.079456      6.178219  0.5622364      6.545914  -9.265968      69.35111 
1 1 1 15  24  8  o 83.17691 40.22095 -0.3647962     6.228079  -5.644441      6.425097  12.13209       65.94408 
1 1 1 15  24  9  o 116.7955 50.28859 4.350404       6.452711  4.449279       6.751974  -0.6305313     77.15804 
1 1 1 15  24  10 o 105.9751 47.57311 0.2496437E-01  6.350025  5.012088       6.664149  -17.88002      74.44974 
1 1 1 15  24  11 o 106.0234 47.77986 6.373750       6.552238  -1.969286      6.710642  27.62868       74.88627 
1 1 1 15  24  12 o 84.74111 40.78566 -4.498229      6.043487  0.1619677      6.641627  -14.93880      66.83022 
1 1 1 15  24  13 o 159.5255 56.76144 5.906375       6.553383  17.00685       7.719229  -48.46965      88.22379 
1 1 1 15  24  14 o 140.4406 55.71472 11.99822       7.092437  4.876726       7.378069  29.42962       83.51852 
1 1 1 15  24  15 o 94.69614 45.62111 -3.910577      8.115837  2.238396       7.802214  -11.56931      71.61014 
1 1 1 15  24  16 o 106.2771 51.47622 2.087413       7.401785  0.000000       0.000000  ?              ?        
1 1 1 15  24  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  24  18 o 105.1279 54.02176 0.000000       0.000000  -3.029970      17.27440  ?              ?        
1 1 1 15  24  19 o 110.8918 51.04722 4.278358       8.015951  8.056943       8.177629  -8.162994      74.42021 
1 1 1 15  24  20 o 78.27402 38.65251 -0.3824023     6.748955  -4.475073      6.887580  6.470657       60.78928 
1 1 1 15  24  21 o 93.02087 43.85974 -2.334199      6.310644  9.720127       6.878646  -27.74229      66.62488 
1 1 1 15  24  22 o 93.14618 44.19922 2.513044       7.043039  4.765419       6.730752  -4.526024      64.89384 
1 1 1 15  24  23 o 96.70666 45.45564 3.893036       6.969338  7.487171       6.962943  -7.059021      64.96202 
1 1 1 15  24  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  25  8  o 93.16715 44.51694 -0.9788703     7.497764  -0.3176944     6.993045  0.4605103E-01  70.25039 
1 1 1 15  25  9  o 79.74977 39.49248 -7.694972      7.551766  -3.536746      7.070718  -5.201469      64.70065 
1 1 1 15  25  10 o 104.4336 48.51631 5.684767       7.606062  -0.9630584     7.521054  17.06883       74.78689 
1 1 1 15  25  11 o 124.2179 53.10009 2.230281       7.243848  10.93217       7.271068  -29.49058      79.70470 
1 1 1 15  25  12 o 106.7718 48.79290 8.839997       7.354433  -1.397429      7.084287  28.69530       74.87474 
1 1 1 15  25  13 o 102.3173 47.67170 1.172133       6.896988  4.910523       7.996021  -10.20673      72.69028 
1 1 1 15  25  14 o 82.58944 40.81356 3.985392       7.724492  -11.02229      7.578235  25.64555       66.39893 
1 1 1 15  25  15 o 86.40590 43.74762 0.000000       0.000000  -8.211539      8.258047  ?              ?        
1 1 1 15  25  16 o 111.3270 53.53534 7.430909       7.662922  0.000000       0.000000  ?              ?        
1 1 1 15  25  17 o 95.05718 45.54920 -1.483014      7.475722  6.487866       7.921486  -15.49759      68.88622 
1 1 1 15  25  18 f 86.06734 42.05041 3.223747       7.284041  -3.829044      7.544502  11.52431       64.66269 
1 1 1 15  25  19 o 95.10950 46.90350 1.603236       7.748663  9.555652       16.54110  -7.068665      69.34192 
1 1 1 15  25  20 o 90.47357 46.24978 15.36817       16.08735  -15.10650      15.24630  13.52435       68.05097 
1 1 1 15  25  21 f 94.78490 47.48547 0.000000       0.000000  6.912102       8.422013  ?              ?        
1 1 1 15  25  22 o 68.21886 34.41509 -2.160054      7.127285  -7.177342      6.596957  7.254944       54.41919 
1 1 1 15  26  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 15  26  12 o 87.80083 42.72844 4.340654       7.126109  -7.449400      7.802466  20.33685       67.20139 
1 1 1 15  26  13 o 89.57929 43.55811 0.3220938      7.306807  -1.065291      8.140396  0.8361206      67.16058 
1 1 1 15  26  14 o 126.6470 55.11152 6.699440       7.606605  13.56436       8.688687  -14.47993      78.73709 
1 1 1 15  26  15 o 94.29954 47.04879 0.000000       0.000000  0.3830619      7.893300  ?              ?        
1 1 1 15  26  16 o 107.5250 52.27913 8.257982       7.827792  0.000000       0.000000  ?              ?        
1 1 1 15  26  17 f 85.05782 41.70573 3.478525       7.820206  -2.829025      7.194197  10.88116       63.77742 
1 1 1 15  26  18 o 99.34186 46.74606 7.378752       7.565903  3.429477       7.250807  7.483467       67.60384 
1 1 1 15  26  19 o 85.28371 42.09356 -1.183043      8.367323  3.243787       7.768025  -5.357811      62.67004 
1 1 1 15  26  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  -19 0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  -19 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  -18 0  o 108.8008 44.56377 2.481245       4.385459  8.880054       5.334741  -27.37106      67.95837 
1 1 1 16  -18 1  o 66.54780 32.75071 -2.764337      4.401073  -3.706559      5.212138  -2.316170      53.69118 
1 1 1 16  -18 2  o 105.4446 44.67799 5.305146       4.733944  3.311745       5.462604  8.889000       67.11346 
1 1 1 16  -18 3  o 72.61446 34.82280 -2.619861      4.259855  0.5491808      4.819420  -12.54461      56.55398 
1 1 1 16  -18 4  o 82.56158 38.21854 1.282583       4.419655  0.7088098E-01  4.874171  2.617897       59.94400 
1 1 1 16  -18 5  o 88.83880 39.91037 5.030287       4.501606  -1.652379      4.673615  26.58804       62.34149 
1 1 1 16  -18 6  o 78.76764 38.89499 -5.591059      6.576375  -0.7101490     7.279099  -10.91146      62.46804 
1 1 1 16  -17 0  o 83.26281 38.38419 1.476535       4.270384  -0.1353662     5.022030  2.996124       60.26102 
1 1 1 16  -17 1  o 110.7118 44.52632 2.860079       4.394636  6.852547       5.035639  -19.97060      68.62389 
1 1 1 16  -17 2  o 95.32600 41.73432 6.417352       4.523368  -2.053800      4.905075  36.20639       64.79877 
1 1 1 16  -17 3  o 68.32352 33.30377 1.422680       4.249387  -8.674592      4.981064  22.95394       55.56541 
1 1 1 16  -17 4  o 83.40576 38.34748 0.9573781      4.272777  0.1192688      4.886942  0.5129242      60.71051 
1 1 1 16  -17 5  o 113.2478 44.58620 6.150115       4.448398  2.879203       4.765531  18.51108       68.52790 
1 1 1 16  -17 6  o 84.39825 38.81118 -1.652762      4.419766  3.211108       4.950944  -21.05498      62.38463 
1 1 1 16  -17 7  o 136.0867 46.43900 4.875378       4.581113  8.886128       4.833447  -25.80604      73.43312 
1 1 1 16  -17 8  o 118.6190 45.55466 5.418412       4.639950  4.836545       4.779908  3.596085       70.37148 
1 1 1 16  -17 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  -16 0  o 118.1676 45.31288 3.049155       4.416691  7.616642       4.933547  -25.76403      70.52352 
1 1 1 16  -16 1  f 111.5015 44.37848 6.509993       4.250039  1.039487       5.059383  29.56906       68.01100 
1 1 1 16  -16 2  o 87.17871 39.46318 2.393006       4.331597  -1.034057      4.882112  11.52795       62.53664 
1 1 1 16  -16 3  o 99.91177 42.62666 4.894515       4.400965  -0.2058907     4.972270  23.09370       66.36364 
1 1 1 16  -16 4  o 98.29433 42.04995 2.138253       4.229833  2.682953       4.975026  -4.987358      66.24169 
1 1 1 16  -16 5  o 108.0496 43.98999 2.822167       4.351109  4.342319       4.980452  -9.347816      69.07860 
1 1 1 16  -16 6  o 92.35141 40.24659 4.054893       4.130798  -1.453924      4.560935  25.30416       63.73229 
1 1 1 16  -16 7  o 90.57585 40.04938 -0.1776138     4.218153  3.239734       4.679444  -18.06959      63.98911 
1 1 1 16  -16 8  o 97.21649 41.56571 3.262656       4.385661  1.347582       4.514128  9.256386       65.23906 
1 1 1 16  -16 9  o 102.4899 42.59084 3.444349       4.356296  2.353079       4.575145  5.356972       66.69569 
1 1 1 16  -16 10 f 102.3457 46.66730 0.000000       0.000000  2.270487       4.634188  ?              ?        
1 1 1 16  -16 11 o 81.95259 38.39292 1.941393       4.264832  -5.459406      5.939184  14.47064       61.67514 
1 1 1 16  -15 0  o 102.1649 43.11504 3.374507       4.616475  2.107856       4.747268  6.077339       67.56508 
1 1 1 16  -15 1  o 107.5843 43.68501 2.046941       4.393602  4.840792       4.737371  -16.56343      68.80756 
1 1 1 16  -15 2  o 122.0270 45.67305 5.329787       4.487996  4.214214       4.854487  7.194901       71.92287 
1 1 1 16  -15 3  o 64.17258 31.56765 -6.784400      4.045038  -1.152100      4.873818  -23.88621      55.66323 
1 1 1 16  -15 4  o 138.6721 46.95087 5.007361       4.482720  8.213336       5.209409  -20.37164      75.85680 
1 1 1 16  -15 5  o 83.93521 38.22625 0.7535113      4.083465  -0.9208696     4.753248  2.856865       61.89981 
1 1 1 16  -15 6  o 152.4092 46.44722 8.390565       4.484422  6.530857       5.162587  18.05965       76.44949 
1 1 1 16  -15 7  o 108.3442 43.63306 3.565507       4.314443  2.988359       4.718921  2.414154       68.76747 
1 1 1 16  -15 8  o 96.19132 40.93061 3.895617       4.053126  -0.7109942     4.542803  22.54680       64.90148 
1 1 1 16  -15 9  o 157.8490 48.75120 7.358975       4.496325  10.41871       6.589953  -8.822937      81.60578 
1 1 1 16  -15 10 o 114.4146 46.77426 2.650836       6.369567  4.853847       4.588974  -8.187256      72.66389 
1 1 1 16  -15 11 o 127.9987 44.62465 5.279693       4.163255  5.325788       4.565297  0.3990097      71.44012 
1 1 1 16  -15 12 o 158.4144 44.96476 10.35319       4.420209  5.353573       4.857141  44.09461       74.49065 
1 1 1 16  -15 13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  -14 0  f 99.41788 42.10443 -0.8182832     4.235660  5.702990       4.795716  -38.69468      67.96625 
1 1 1 16  -14 1  o 113.8588 47.62432 5.983317       6.593687  1.922871       4.996699  22.76218       76.19968 
1 1 1 16  -14 2  o 123.6312 51.07225 1.238552       6.186364  8.231060       6.555687  -32.54166      80.09896 
1 1 1 16  -14 3  o 158.5918 55.85151 7.076308       6.726696  10.89954       6.929416  -20.45284      88.07263 
1 1 1 16  -14 4  o 140.6892 54.39546 4.684932       6.126046  9.889671       7.601055  -24.32012      85.73991 
1 1 1 16  -14 5  o 90.98238 42.59024 -4.284327      5.483339  3.517539       6.723044  -33.01483      71.37988 
1 1 1 16  -14 6  o 113.8136 48.50470 1.035258       5.427014  6.416047       6.871006  -27.58126      77.74790 
1 1 1 16  -14 7  o 80.74138 39.13992 -1.292072      5.631903  -7.729796      6.665368  9.792633       65.36237 
1 1 1 16  -14 8  o 90.06118 42.56335 -0.5639889     5.636613  -3.185531      7.149911  -0.5633392     69.44158 
1 1 1 16  -14 9  o 96.95566 44.64376 0.7255584      5.608408  -0.4621242     7.022810  -2.366951      71.60249 
1 1 1 16  -14 10 o 95.88691 44.24126 7.264586       5.532817  -11.38250      6.975990  54.11856       71.24005 
1 1 1 16  -14 11 o 142.3093 53.39082 6.059094       5.993901  8.510112       6.843071  -11.48027      83.56970 
1 1 1 16  -14 12 o 85.29079 40.87714 -2.283654      5.837863  -2.319904      6.636693  -4.150345      66.83295 
1 1 1 16  -14 13 o 117.5655 46.74873 5.415744       6.212035  3.624738       4.431999  11.27105       74.32199 
1 1 1 16  -14 14 o 129.5067 49.15513 11.95094       6.788014  2.843378       4.669381  46.76368       79.77882 
1 1 1 16  -13 0  o 96.58884 43.91793 -0.4253597     5.663055  0.7243448      5.846718  -5.482002      71.13195 
1 1 1 16  -13 1  o 99.74416 45.11309 3.476542       5.814262  -3.023354      6.145966  23.30109       72.92920 
1 1 1 16  -13 2  o 113.2325 45.94522 2.021679       4.344240  5.115861       6.213829  -23.84638      75.16782 
1 1 1 16  -13 3  o 85.28440 38.92170 -0.4253985     4.341953  -0.8691079     4.841923  -2.139343      64.27007 
1 1 1 16  -13 4  o 87.44570 39.35279 2.998456       4.419318  -3.525062      4.542687  30.83084       64.87529 
1 1 1 16  -13 5  o 105.0362 43.27480 0.6009718      4.358764  4.032303       4.773636  -23.03377      69.97755 
1 1 1 16  -13 6  o 78.04387 36.55617 1.095863       4.194888  -5.543393      4.730668  22.22912       61.38303 
1 1 1 16  -13 7  o 97.57748 43.30854 0.8052111      4.476280  0.2215704      6.562384  -10.31856      71.29939 
1 1 1 16  -13 8  o 75.89566 36.46704 -5.641922      4.217723  2.019445       6.504590  -44.45746      66.60865 
1 1 1 16  -13 9  o 118.1647 47.15520 4.403626       4.368589  1.796451       6.853251  5.448349       75.32865 
1 1 1 16  -13 10 o 87.34603 39.86002 0.7431031      4.160902  -2.563606      5.844444  1.262222       65.40533 
1 1 1 16  -13 11 o 97.65234 41.79081 1.521635       3.899122  1.802523       5.521847  -10.07982      67.94902 
1 1 1 16  -13 12 o 78.67917 37.12899 -1.993056      4.102367  -1.649991      5.779607  -14.26890      62.84253 
1 1 1 16  -13 13 o 87.00949 38.70622 0.1248087      3.969153  0.8114493      4.479587  -7.114876      63.04767 
1 1 1 16  -13 14 f 101.8796 42.23414 4.682076       4.097560  -0.5936581     4.710791  27.22410       66.59967 
1 1 1 16  -13 15 o 105.3146 44.26757 4.702037       4.290623  -1.179518      5.884262  22.14508       69.23179 
1 1 1 16  -13 16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  -12 0  o 154.9278 55.43518 7.187964       6.383209  8.669876       7.183915  -7.386444      88.30319 
1 1 1 16  -12 1  o 115.4221 49.80593 -0.2054731     5.930773  6.322896       7.268830  -33.26724      80.82623 
1 1 1 16  -12 2  o 165.1715 54.93279 5.103647       5.863830  14.44628       7.646696  -55.15602      90.64635 
1 1 1 16  -12 3  o 180.9155 55.34261 10.02699       6.348867  10.45000       7.335536  0.6793976      92.16698 
1 1 1 16  -12 4  o 194.3132 52.77838 17.70754       6.260302  3.739021       6.826530  101.6392       84.47849 
1 1 1 16  -12 5  o 121.3576 49.80051 2.260631       5.622405  4.812284       6.458988  -16.16003      79.91040 
1 1 1 16  -12 6  o 78.65611 38.12437 -4.899909      5.489814  -4.500091      6.092235  -6.224815      65.25000 
1 1 1 16  -12 7  o 145.0584 50.49189 1.453456       5.876911  9.925791       5.303883  -55.74780      79.44898 
1 1 1 16  -12 8  o 105.6875 45.52863 1.370509       5.946051  1.487493       5.001110  5.120415       73.88998 
1 1 1 16  -12 9  o 122.2317 48.03828 -1.270015      5.719163  7.479772       5.011211  -48.26731      75.41915 
1 1 1 16  -12 10 o 84.41679 39.28591 2.993330       5.822388  -4.228985      4.440043  40.91623       68.22063 
1 1 1 16  -12 11 o 107.7154 45.00089 5.404501       5.939948  0.5315279      4.426579  33.47765       74.05206 
1 1 1 16  -12 12 f 74.17678 36.42992 -5.190305      5.228420  -6.789594      6.572681  -6.675690      62.74260 
1 1 1 16  -12 13 o 135.5268 50.37062 3.277649       5.587967  8.314257       5.711773  -30.16332      79.68814 
1 1 1 16  -12 14 o 135.6092 50.90979 2.451088       5.918900  8.753865       5.687229  -36.36740      79.98347 
1 1 1 16  -12 15 o 107.7650 46.09137 4.290658       5.680452  1.073373       5.287267  16.40345       73.14237 
1 1 1 16  -12 16 o 109.3377 46.45589 -1.704288      5.431805  7.539020       5.561968  -44.95760      73.74030 
1 1 1 16  -12 17 o 129.6509 48.92303 8.183914       5.551763  3.092961       5.206613  29.90215       77.08101 
1 1 1 16  -11 0  f 90.47796 39.43306 1.322430       3.944024  -0.8172583     4.409396  7.855911       64.76807 
1 1 1 16  -11 1  o 229.0636 33.78925 12.42886       4.417837  13.52211       4.940258  -5.765228      71.20194 
1 1 1 16  -11 2  o 86.39633 38.60416 -2.948527      3.977695  2.888524       4.531289  -37.62667      65.25348 
1 1 1 16  -11 3  o 255.6106 32.00874 15.95069       4.695950  15.55752       5.284760  9.830048       69.02117 
1 1 1 16  -11 4  o 122.1981 43.93302 1.822245       3.949260  6.057833       4.616140  -37.11444      72.04767 
1 1 1 16  -11 5  o 309.6888 26.62409 23.61570       4.844422  21.03891       5.318887  24.34967       57.01501 
1 1 1 16  -11 6  o 230.5415 32.83241 13.34594       4.388090  12.45310       4.760200  12.75835       69.38908 
1 1 1 16  -11 7  o 118.6197 44.11839 -0.4920181     4.008140  8.710160       4.757630  -74.57329      70.83858 
1 1 1 16  -11 8  o 144.6019 44.71675 6.447967       4.134064  4.656210       4.768725  15.06973       74.64411 
1 1 1 16  -11 9  o 231.2676 33.25586 12.21893       4.125105  15.03690       5.393630  -13.65004      71.66249 
1 1 1 16  -11 10 o 128.3815 43.24477 3.439464       3.779183  5.597659       4.457419  -20.20294      71.59119 
1 1 1 16  -11 11 o 137.5866 47.82753 6.936229       5.747658  4.146492       4.477640  22.29585       78.91914 
1 1 1 16  -11 12 o 90.31254 41.51167 -1.015090      3.765838  0.000000       0.000000  ?              ?        
1 1 1 16  -11 13 o 90.83620 39.11497 2.879017       3.752121  -1.846889      4.284624  23.07404       63.35288 
1 1 1 16  -11 14 o 87.98841 38.60090 1.008671       3.832261  -0.1109435     4.289133  2.433884       62.96494 
1 1 1 16  -11 15 o 134.4063 42.85976 4.853480       3.940778  5.493674       4.120678  -5.524887      71.04401 
1 1 1 16  -11 16 o 126.3947 42.88240 0.9552814      3.840873  8.963083       4.200783  -67.03764      68.05257 
1 1 1 16  -11 17 o 110.0906 46.47394 2.818445       3.847275  0.000000       0.000000  ?              ?        
1 1 1 16  -11 18 o 121.2083 42.84160 2.647686       4.099523  5.866570       3.943058  -24.90098      68.60593 
1 1 1 16  -10 0  o 243.1552 31.74323 14.71121       4.545179  13.65275       4.813907  13.02190       67.60426 
1 1 1 16  -10 1  o 563.9567 20.13320 71.62274       6.890255  72.45605       7.182823  -1.874268      41.04692 
1 1 1 16  -10 2  o 303.7453 27.10887 21.95016       4.840892  20.88862       5.298471  12.02139       57.44998 
1 1 1 16  -10 3  f 305.3414 26.65355 26.05204       4.840091  16.55065       5.172193  78.30043       59.24866 
1 1 1 16  -10 4  o 143.1441 43.89474 5.633933       3.973000  4.644904       4.639050  7.215958       74.00479 
1 1 1 16  -10 5  o 375.3686 23.51357 29.46897       5.153676  35.67020       5.798342  -34.77612      48.38796 
1 1 1 16  -10 6  o 245.3681 30.64276 12.53591       4.314662  16.42515       4.858989  -33.29205      64.72284 
1 1 1 16  -10 7  f 197.9199 36.60435 8.128173       4.125419  11.49597       4.565017  -33.33618      71.83196 
1 1 1 16  -10 8  o 344.4623 24.59471 29.97523       5.020957  24.21646       5.446461  42.93909       52.27905 
1 1 1 16  -10 9  o 255.6670 29.76185 14.30232       4.300756  17.19804       5.053723  -20.19669      63.57151 
1 1 1 16  -10 10 o 110.9240 41.63587 3.095082       3.754224  2.360316       4.016576  4.112793       67.79891 
1 1 1 16  -10 11 o 172.7856 54.04086 0.000000       0.000000  8.801054       4.547982  ?              ?        
1 1 1 16  -10 12 o 136.8394 46.58912 3.599876       3.844446  9.434655       6.796290  -46.45039      81.30959 
1 1 1 16  -10 13 o 157.1863 43.09397 5.930499       4.153664  7.596745       4.523217  -15.09761      74.90415 
1 1 1 16  -10 14 o 112.3049 42.22439 2.234828       3.692712  4.206735       4.380277  -18.27926      68.87903 
1 1 1 16  -10 15 o 156.3400 41.15680 5.560663       3.763451  8.335172       4.401782  -24.91879      72.63686 
1 1 1 16  -10 16 o 106.1269 41.69669 3.988699       3.967137  1.222933       4.064240  18.80653       66.89973 
1 1 1 16  -10 17 o 94.10992 39.41349 -2.055996      3.795847  5.247160       3.937500  -48.52444      63.65498 
1 1 1 16  -10 18 f 116.6281 41.78460 4.828626       3.886842  2.800103       3.785707  16.48716       67.46317 
1 1 1 16  -10 19 o 109.7427 41.25370 3.927815       3.869505  2.625313       3.754924  10.15265       66.20851 
1 1 1 16  -9  0  o 140.2422 42.42279 3.927374       3.880468  6.123287       4.140728  -21.88123      71.67322 
1 1 1 16  -9  1  o 207.1386 34.80011 7.399219       4.103981  13.95284       4.557944  -66.47371      68.76852 
1 1 1 16  -9  2  o 115.4666 42.91234 0.9728002      3.869891  5.103753       4.376132  -37.04289      70.37680 
1 1 1 16  -9  3  o 306.1706 25.50088 20.12711       4.555055  23.09527       5.087569  -19.80713      52.88816 
1 1 1 16  -9  4  o 87.82362 38.45893 -0.3372090     3.881276  -0.4505984E-01 4.120614  -4.558662      64.30360 
1 1 1 16  -9  5  o 90.55688 39.13940 0.8357245      3.802884  -0.7908880     4.293558  4.494545       65.08563 
1 1 1 16  -9  6  o 240.1160 31.56793 17.69694       4.551712  9.249966       4.625641  82.96460       66.61464 
1 1 1 16  -9  7  o 346.6769 24.37737 30.32729       5.110977  24.22559       5.312794  42.75143       50.98795 
1 1 1 16  -9  8  o 507.3906 20.23528 55.85099       6.007692  60.66167       6.773317  -18.60422      41.26052 
1 1 1 16  -9  9  o 126.8750 42.74191 5.323955       3.710065  1.902042       4.324910  26.44176       69.81871 
1 1 1 16  -9  10 o 100.9403 40.61013 1.195021       3.853483  1.995550       3.940998  -6.626328      66.54922 
1 1 1 16  -9  11 o 325.8219 28.50589 25.20888       7.435386  24.74469       4.800463  -20.39380      68.18623 
1 1 1 16  -9  12 f 321.9956 24.74376 24.04204       4.672202  24.16534       5.175196  3.291901       52.01231 
1 1 1 16  -9  13 o 180.2135 38.94135 8.585590       3.937985  8.050255       4.588100  9.074356       73.44383 
1 1 1 16  -9  14 o 72.91879 34.27756 -0.5359156     3.812276  -4.136840      4.132802  12.41854       58.44141 
1 1 1 16  -9  15 o 101.9166 40.60787 0.1701071E-01  3.583766  4.822411       4.205279  -39.36275      66.47475 
1 1 1 16  -9  16 o 112.6965 41.79161 1.643643       3.615091  5.223309       4.224699  -30.93903      68.14497 
1 1 1 16  -9  17 o 84.37192 37.38594 1.321144       3.781920  -1.164172      3.988887  11.84736       61.31885 
1 1 1 16  -9  18 o 193.3223 36.65916 10.82134       4.167819  8.789035       4.306397  23.20003       72.32381 
1 1 1 16  -9  19 o 106.7336 40.87684 4.259117       3.846233  1.593946       3.724581  20.40823       65.66957 
1 1 1 16  -9  20 o 174.9056 38.56010 4.312234       4.141462  12.35376       4.003820  -81.92976      67.51472 
1 1 1 16  -8  0  o 215.7535 33.96962 9.379628       4.317864  12.88843       4.478983  -35.90057      69.02971 
1 1 1 16  -8  1  o 93.98589 39.58783 1.514205       3.889106  -0.3183490     3.980354  11.32211       65.50649 
1 1 1 16  -8  2  o 107.5478 41.50434 0.9964617E-01  3.838560  4.165698       4.010648  -33.79757      67.84071 
1 1 1 16  -8  3  o 325.9854 24.32755 24.91667       4.762656  23.12154       5.014977  14.10971       50.21656 
1 1 1 16  -8  4  o 109.8946 42.39935 0.2304472      3.989120  4.227837       4.203269  -33.00012      69.41200 
1 1 1 16  -8  5  o 121.3788 43.61068 4.831964       4.082519  1.287748       4.287169  27.74186       71.15272 
1 1 1 16  -8  6  o 370.2897 22.31265 33.85176       5.125931  27.91167       5.077217  37.20984       45.69930 
1 1 1 16  -8  7  o 101.6124 41.13472 0.6734463      3.826971  2.167739       4.257987  -15.21497      68.02428 
1 1 1 16  -8  8  o 249.8817 29.41590 14.14109       4.274412  14.80341       4.700751  -3.713409      61.83120 
1 1 1 16  -8  9  o 257.4725 28.39102 14.66224       4.181448  16.16574       4.801069  -9.995529      59.82671 
1 1 1 16  -8  10 o 269.9889 26.51339 20.31401       4.366570  13.16414       4.400116  63.89894       57.13506 
1 1 1 16  -8  11 o 141.0986 42.63276 2.409770       4.024710  7.588265       4.066913  -49.49409      70.42886 
1 1 1 16  -8  12 o 141.6161 41.13235 4.724679       3.900677  5.353246       3.756375  -6.020432      70.32197 
1 1 1 16  -8  13 o 151.2098 40.32939 5.490582       3.772203  6.259886       3.937657  -7.995651      70.70461 
1 1 1 16  -8  14 o 166.0645 38.56941 5.245106       3.574091  9.765219       4.326685  -45.80452      70.37589 
1 1 1 16  -8  15 o 231.7542 31.30979 13.90094       4.284854  11.99331       4.494932  21.75955       66.55489 
1 1 1 16  -8  16 o 77.34174 35.31495 -2.425366      3.497308  1.001645       4.117821  -25.10742      60.19542 
1 1 1 16  -8  17 o 213.8302 33.02675 14.93741       4.094820  7.400620       4.401353  81.65529       67.18657 
1 1 1 16  -8  18 o 142.6648 41.97429 5.793838       3.817171  5.549211       4.125543  2.810562       71.24760 
1 1 1 16  -8  19 o 233.3933 42.99832 15.01352       4.239764  0.000000       0.000000  ?              ?        
1 1 1 16  -8  20 o 93.93156 38.88470 1.905991       3.735969  1.331718       3.663224  4.302856       62.76627 
1 1 1 16  -8  21 o 130.4145 43.48220 5.506386       4.399463  4.649313       3.892150  6.697502       71.21087 
1 1 1 16  -7  0  o 261.9084 27.86581 13.98069       4.339990  17.71603       4.585881  -32.61057      58.33588 
1 1 1 16  -7  1  o 381.6826 21.62321 32.19151       5.042151  33.21737       5.157182  -5.832855      43.97496 
1 1 1 16  -7  2  o 99.24490 40.48590 3.361703       3.976398  -1.040190      3.894068  33.02526       66.60187 
1 1 1 16  -7  3  o 330.6948 23.85460 23.10876       4.768283  26.26300       4.958434  -21.57736      48.80907 
1 1 1 16  -7  4  o 256.8583 28.17363 17.32540       4.330189  12.59678       4.505954  44.84340       59.80560 
1 1 1 16  -7  5  o 90.54345 38.90037 -0.9952534     3.770334  1.347453       4.114710  -19.62535      65.24072 
1 1 1 16  -7  6  o 300.2761 25.48198 20.16324       4.701718  20.60368       4.701646  -3.457275      52.45767 
1 1 1 16  -7  7  o 244.3036 29.71697 15.10144       4.416094  12.31612       4.405879  27.03859       62.11605 
1 1 1 16  -7  8  o 117.5509 42.91727 -2.192701      3.971430  8.338391       4.176931  -89.37140      66.17017 
1 1 1 16  -7  9  f 120.4445 42.50654 3.925808       3.819384  2.224964       4.106610  12.57009       69.97285 
1 1 1 16  -7  10 o 295.6676 24.80146 20.24609       4.437396  19.39960       4.579821  7.448212       51.24592 
1 1 1 16  -7  11 o 122.5654 41.52102 1.701205       3.600160  5.547372       3.938982  -38.01662      68.35654 
1 1 1 16  -7  12 o 255.2381 27.01754 18.04604       4.134353  11.75811       4.295904  60.40938       58.44472 
1 1 1 16  -7  13 o 191.1495 35.82663 11.92921       4.142419  5.969100       4.043500  63.96684       68.19599 
1 1 1 16  -7  14 o 116.6590 40.64394 2.669666       3.552687  3.736984       3.667120  -10.43709      66.94248 
1 1 1 16  -7  15 o 84.16222 36.79493 -1.425292      3.381784  2.097966       3.978678  -28.75408      61.87055 
1 1 1 16  -7  16 o 94.77781 39.14708 0.7667048E-01  3.562529  2.612209       3.941529  -21.28149      64.36552 
1 1 1 16  -7  17 o 167.8665 37.96841 5.722332       3.661072  9.212345       4.097264  -36.02054      69.87493 
1 1 1 16  -7  18 o 104.9369 40.64244 -0.1306898     3.583087  5.585692       3.990890  -46.61407      65.75508 
1 1 1 16  -7  19 o 125.0458 41.52987 2.942224       3.625540  5.796957       3.913918  -26.03017      68.26604 
1 1 1 16  -7  20 o 202.0516 33.81551 7.209369       3.923113  14.29105       4.277152  -72.33559      67.44704 
1 1 1 16  -7  21 o 145.5949 40.18398 6.893861       3.783444  5.044348       3.713201  18.34630       69.33554 
1 1 1 16  -7  22 o 158.8277 42.69774 12.32163       4.378425  2.756011       4.219962  86.45114       69.48053 
1 1 1 16  -6  0  o 118.2065 43.02750 2.051300       3.958053  3.781550       4.229042  -16.68725      70.90985 
1 1 1 16  -6  1  o 184.8231 38.17154 9.830796       4.118053  6.247415       4.354627  38.41554       71.33763 
1 1 1 16  -6  2  o 95.73587 40.73814 0.4890007      4.117887  0.7916074E-01  4.367506  -0.2839584     67.92189 
1 1 1 16  -6  3  o 300.7414 26.22380 18.83385       4.671356  22.23979       5.035820  -25.24112      53.97104 
1 1 1 16  -6  4  o 496.4062 19.88574 58.07858       6.080388  51.40944       6.142171  31.10880       40.24669 
1 1 1 16  -6  5  o 389.1904 22.55608 40.74290       5.586660  27.68012       5.271494  76.91058       46.29895 
1 1 1 16  -6  6  o 375.2746 22.24735 30.92683       5.128160  31.98646       5.183756  -6.395630      45.14788 
1 1 1 16  -6  7  o 206.7300 36.67636 11.83807       4.458564  8.068925       4.607308  39.50963       71.78942 
1 1 1 16  -6  8  o 270.0370 26.50580 15.49893       4.280442  17.60408       4.492939  -17.56726      54.83708 
1 1 1 16  -6  9  o 300.1208 24.66663 19.21751       4.407053  21.53203       4.711637  -16.92966      50.63194 
1 1 1 16  -6  10 o 417.9459 20.34052 38.76722       5.124712  39.24595       5.401516  -1.846527      41.23992 
1 1 1 16  -6  11 o 149.4734 40.43044 6.834223       3.795254  3.915295       3.883305  30.41959       69.75593 
1 1 1 16  -6  12 o 117.0481 41.51973 1.721440       3.696178  4.305717       3.864786  -24.35166      68.28316 
1 1 1 16  -6  13 o 255.5079 26.87791 13.16059       3.909450  17.51275       4.557338  -36.41222      56.16164 
1 1 1 16  -6  14 o 167.7976 36.89769 4.032986       3.535202  10.51182       3.975138  -71.14020      66.01968 
1 1 1 16  -6  15 o 220.5534 29.50069 14.31665       3.917475  8.563420       3.952718  61.56749       62.02638 
1 1 1 16  -6  16 f 154.3493 41.26958 9.320007       4.042396  3.098962       4.013227  61.96123       69.44313 
1 1 1 16  -6  17 o 128.0693 41.35907 5.179498       3.639080  3.049800       3.854436  19.21391       68.45869 
1 1 1 16  -6  18 o 114.5901 41.03705 3.613902       3.543637  2.684853       3.876432  6.144447       67.00735 
1 1 1 16  -6  19 o 126.6946 40.62676 7.654253       3.569047  0.6916491      3.663018  64.65437       64.21918 
1 1 1 16  -6  20 o 251.6007 27.51305 16.02954       4.135142  14.57109       4.319120  16.72769       59.74948 
1 1 1 16  -6  21 o 122.8164 40.74296 4.068793       3.576162  4.198188       3.666585  -1.317177      67.08609 
1 1 1 16  -6  22 o 175.0084 36.65136 8.546021       3.934548  7.882248       3.772932  5.782196       70.13178 
1 1 1 16  -6  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  -5  0  o 415.1724 21.16392 38.23030       5.318410  38.74840       5.554420  -2.228943      42.90565 
1 1 1 16  -5  1  o 425.1392 21.50068 37.49717       5.421484  43.64424       5.914221  -32.07565      43.52998 
1 1 1 16  -5  2  o 140.4010 43.03638 5.499136       3.997188  3.587295       4.217190  17.13800       72.48459 
1 1 1 16  -5  3  o 563.8465 18.59097 74.84354       6.444140  65.93939       6.544197  36.49884       37.55937 
1 1 1 16  -5  4  o 210.4949 33.52916 10.57963       4.140331  9.852787       4.328575  8.329483       67.58968 
1 1 1 16  -5  5  o 325.8312 23.05276 25.11566       4.644378  22.34662       4.614444  19.70975       47.00620 
1 1 1 16  -5  6  o 270.3426 25.78828 14.25933       4.134620  18.95130       4.424793  -39.83871      53.33660 
1 1 1 16  -5  7  o 366.3684 21.31125 32.33227       4.897803  27.58136       4.750400  29.65311       43.23127 
1 1 1 16  -5  8  o 197.8305 34.56342 12.83943       4.107590  5.413679       4.067251  79.36134       66.10941 
1 1 1 16  -5  9  o 400.9302 20.43383 39.91699       5.191655  31.98463       4.947637  45.07401       41.41727 
1 1 1 16  -5  10 o 483.1458 18.41603 50.88137       5.480254  52.74194       5.538765  -8.735443      37.12764 
1 1 1 16  -5  11 o 168.4855 36.97521 5.926646       3.677623  7.642054       3.844224  -19.48756      68.41613 
1 1 1 16  -5  12 f 232.8146 28.60623 10.85079       3.975910  14.10836       4.116899  -32.43761      59.61908 
1 1 1 16  -5  13 o 683.5275 21.28495 111.1067       7.776758  91.17900       11.12484  80.18665       48.21302 
1 1 1 16  -5  14 o 101.9543 39.30994 2.112234       3.385151  1.472303       3.662700  2.532936       64.61937 
1 1 1 16  -5  15 f 249.5865 26.35269 15.29844       3.992275  13.37282       4.045233  18.84116       55.39048 
1 1 1 16  -5  16 o 110.4389 39.84496 2.300248       3.409996  3.101769       3.585506  -8.526741      65.50509 
1 1 1 16  -5  17 o 258.8860 25.26710 14.43250       3.826626  17.02631       4.213490  -20.75771      53.18924 
1 1 1 16  -5  18 o 106.5729 40.05651 3.509116       3.413239  1.127131       3.803747  16.62125       65.01431 
1 1 1 16  -5  19 o 85.75632 37.09823 2.604172       3.500314  -2.207606      3.760772  27.75513       60.83476 
1 1 1 16  -5  20 o 81.58463 36.01009 0.8675467      3.474918  -0.9320111     3.666933  8.747704       59.44302 
1 1 1 16  -5  21 o 294.1733 23.80441 21.80225       4.278148  19.02058       4.336025  23.52740       50.55749 
1 1 1 16  -5  22 f 120.2636 40.54550 4.318374       3.533577  3.616732       3.635682  6.116173       66.43361 
1 1 1 16  -5  23 f 149.2795 38.63821 5.794634       3.685417  6.518632       3.530383  -8.456726      68.29189 
1 1 1 16  -4  0  f 329.3207 25.50760 19.86555       4.879812  30.17039       5.519504  -70.60205      52.53603 
1 1 1 16  -4  1  o 165.8922 39.87304 3.943824       3.882836  9.637166       4.245845  -61.05173      69.90811 
1 1 1 16  -4  2  o 181.9591 37.67096 11.27843       4.035206  4.017213       4.193142  76.51285       67.77718 
1 1 1 16  -4  3  o 296.3744 24.89629 21.64698       4.393529  17.49611       4.690732  34.00900       52.01568 
1 1 1 16  -4  4  o 348.7225 22.48733 27.90545       4.783028  26.31641       4.895995  10.87265       45.73507 
1 1 1 16  -4  5  o 507.5607 18.95632 58.66245       5.892487  55.47288       6.025578  14.69745       38.24162 
1 1 1 16  -4  6  o 568.3426 18.39300 72.48658       6.402974  70.52540       6.551582  8.179321       37.04410 
1 1 1 16  -4  7  o 322.5411 23.08901 24.14304       4.489909  22.24315       4.695099  14.28778       47.20833 
1 1 1 16  -4  8  o 377.9616 20.53117 31.94737       4.694396  31.53130       4.903668  2.993591       41.57420 
1 1 1 16  -4  9  o 520.1135 18.15440 53.56029       5.617027  67.37048       6.110725  -59.94958      36.55997 
1 1 1 16  -4  10 o 154.1339 39.20109 6.131800       3.850552  5.153925       3.668446  11.30812       69.52734 
1 1 1 16  -4  11 o 166.0969 40.60721 0.9327236      4.037527  12.87281       4.268648  -118.5274      64.62747 
1 1 1 16  -4  12 o 93.98286 39.96559 1.255984       5.176894  -0.1669960     3.466295  28.97549       69.00224 
1 1 1 16  -4  13 o 367.2823 29.00264 30.66014       4.634492  0.000000       0.000000  ?              ?        
1 1 1 16  -4  14 o 459.5031 18.30875 47.77854       5.172208  46.24940       5.245087  7.875519       37.00574 
1 1 1 16  -4  15 o 88.92661 37.49195 1.980466       3.453595  -1.163615      3.619688  20.38104       61.98353 
1 1 1 16  -4  16 o 124.3859 39.77737 5.939068       3.412249  1.315907       3.525101  45.36163       64.76238 
1 1 1 16  -4  17 o 145.7115 39.02768 9.456800       3.603982  1.201961       3.592372  85.77481       62.69867 
1 1 1 16  -4  18 o 73.44111 33.44226 -2.503975      3.237607  0.7388152      3.477469  -22.04511      56.89236 
1 1 1 16  -4  19 o 159.8802 36.28621 3.525258       3.275869  10.40988       3.818242  -75.95782      64.01934 
1 1 1 16  -4  20 o 116.3211 40.02984 4.003763       3.356336  2.673504       3.654001  10.76778       65.62311 
1 1 1 16  -4  21 o 244.4046 25.83942 14.18767       3.764288  14.32425       3.959615  0.9686432      55.40525 
1 1 1 16  -4  22 o 93.81072 38.02855 2.531835       3.419692  0.6481631      3.472319  13.42702       61.63444 
1 1 1 16  -4  23 o 105.0644 39.37700 3.780743       3.453275  1.763784       3.479977  16.24929       63.46089 
1 1 1 16  -4  24 o 175.8741 35.65113 12.48306       4.120883  5.296028       3.473789  72.33797       66.69755 
1 1 1 16  -3  0  o 636.0173 18.21376 85.02205       6.920044  94.91742       7.468399  -34.67902      36.65711 
1 1 1 16  -3  1  o 501.7444 18.71299 53.19822       5.614849  58.78601       6.036128  -24.79025      37.70435 
1 1 1 16  -3  2  o 242.6607 28.60776 15.11913       4.122085  11.41154       4.332976  37.05551       60.14663 
1 1 1 16  -3  3  o 588.1595 18.12217 74.73486       6.350232  78.79060       6.890709  -14.87897      36.52410 
1 1 1 16  -3  4  o 579.9648 17.67398 73.25147       6.249663  75.73998       6.457529  -9.488770      35.56236 
1 1 1 16  -3  5  o 828.2899 18.18621 146.7861       9.108792  157.3751       9.598793  -28.47723      36.60439 
1 1 1 16  -3  6  o 594.4347 17.58131 79.27441       6.417317  77.08920       6.535937  8.635986       35.38462 
1 1 1 16  -3  7  o 671.8111 17.49976 101.5877       7.260498  98.07903       7.313013  12.06201       35.19593 
1 1 1 16  -3  8  o 430.2287 19.29847 46.05267       5.218082  36.36543       5.060082  51.54407       39.09895 
1 1 1 16  -3  9  o 103.2067 40.40307 3.694161       3.766599  -0.5703929     3.749495  34.59669       66.14978 
1 1 1 16  -3  10 o 360.1109 20.50453 29.06731       4.519510  28.56070       4.604597  3.434967       41.49842 
1 1 1 16  -3  11 o 243.3369 26.96879 13.01987       3.975900  13.72828       4.029831  -6.695816      55.80648 
1 1 1 16  -3  12 o 364.2740 29.64022 0.000000       0.000000  29.96834       4.695099  ?              ?        
1 1 1 16  -3  13 o 238.8468 30.63238 13.05542       3.971879  13.07010       5.107717  4.638062       65.30261 
1 1 1 16  -3  14 o 225.8687 27.06077 11.18752       3.736277  12.06295       3.696306  -9.380981      56.26112 
1 1 1 16  -3  15 o 110.1123 39.35599 -0.6295639     3.354195  5.849400       3.448305  -61.31842      62.49123 
1 1 1 16  -3  16 o 85.71314 36.29678 -1.896914      3.286021  2.766106       3.388342  -35.79953      60.17796 
1 1 1 16  -3  17 o 109.0996 38.87842 0.6679251E-01  3.189834  5.546557       3.457991  -54.06348      62.63229 
1 1 1 16  -3  18 o 100.6654 38.32321 5.607985       3.337845  -1.567267      3.288907  62.74361       60.49878 
1 1 1 16  -3  19 o 241.8827 25.73239 16.57194       3.787414  10.74786       3.816394  58.54015       55.74320 
1 1 1 16  -3  20 o 256.8425 24.60789 16.09115       3.725064  14.51963       4.039515  17.58279       52.45047 
1 1 1 16  -3  21 o 69.10903 32.14452 -0.5593241     3.148269  -2.723109      3.561028  5.868599       54.50810 
1 1 1 16  -3  22 o 108.9726 39.10714 3.528198       3.249405  2.358791       3.485030  9.180511       63.60278 
1 1 1 16  -3  23 o 136.5857 39.67708 8.158207       3.675715  2.409997       3.455075  57.72120       65.51261 
1 1 1 16  -3  24 o 73.67250 33.20573 -1.106817      3.184620  0.4324086      3.222893  -9.396004      55.07339 
1 1 1 16  -3  25 o 78.27032 34.62788 -0.7240627     3.713314  0.8046294      3.025381  -2.433533      56.75441 
1 1 1 16  -2  0  o 400.6767 20.40686 41.05779       5.088346  30.43161       5.023050  61.19980       41.69156 
1 1 1 16  -2  1  o 512.6292 18.95025 55.78527       5.855997  60.97584       6.189232  -22.64850      38.17364 
1 1 1 16  -2  2  o 377.8385 20.72898 33.26379       4.811202  30.20709       4.869049  18.84122       42.02719 
1 1 1 16  -2  3  o 147.9447 38.32291 6.652540       3.386748  3.379550       3.727551  34.88467       66.45128 
1 1 1 16  -2  4  o 534.1660 17.38531 59.91961       5.601278  66.75677       5.917806  -28.80475      34.98045 
1 1 1 16  -2  5  o 206.5940 29.46978 9.860550       3.602614  9.638934       3.740809  2.962204       60.34924 
1 1 1 16  -2  6  o 296.1795 22.51682 18.89573       3.919471  20.46385       4.321814  -11.17825      45.98463 
1 1 1 16  -2  7  o 309.9492 21.75441 19.59136       4.043909  23.49098       4.278210  -28.59174      44.27380 
1 1 1 16  -2  8  o 75.43168 34.06217 -1.568675      3.297904  -0.6942343     3.488574  -8.288559      58.22696 
1 1 1 16  -2  9  f 327.4052 20.96219 22.83357       4.243825  24.89678       4.226182  -14.65988      42.57330 
1 1 1 16  -2  10 o 430.0172 18.96231 43.00027       5.112763  39.08717       4.981267  20.69254       38.24470 
1 1 1 16  -2  11 o 189.4097 34.35418 12.74770       3.966576  4.223165       3.813600  92.41641       63.84856 
1 1 1 16  -2  12 o 194.4382 43.90763 0.000000       0.000000  8.987255       3.655887  ?              ?        
1 1 1 16  -2  13 f 590.7715 17.39047 82.85802       6.548657  72.15992       6.198027  40.91187       34.97879 
1 1 1 16  -2  14 o 444.4364 17.91611 39.53287       4.848587  48.38962       5.014027  -45.48877      36.21140 
1 1 1 16  -2  15 o 330.6545 22.99891 23.21667       5.907304  25.15281       4.004854  -20.97760      52.31517 
1 1 1 16  -2  16 o 93.32982 37.38911 0.9528206      3.293356  1.340497       3.282975  -3.062485      61.72573 
1 1 1 16  -2  17 o 374.7260 18.38214 33.24564       4.385693  29.74959       4.144336  20.72095       37.26085 
1 1 1 16  -2  18 o 239.2556 24.49015 9.786519       3.417418  17.20906       3.776373  -71.29434      52.00687 
1 1 1 16  -2  19 o 230.3820 25.30906 10.66163       3.527449  14.05729       3.588219  -34.94513      53.63717 
1 1 1 16  -2  20 o 108.8405 38.34269 5.009768       3.251808  0.6178362      3.183620  42.20775       61.88802 
1 1 1 16  -2  21 o 221.9797 27.50045 11.52818       3.456920  11.99460       4.017680  0.6449127      58.94316 
1 1 1 16  -2  22 o 93.64544 37.38700 1.733920       3.141153  1.490694       3.430571  -0.5322037     60.88080 
1 1 1 16  -2  23 o 184.6791 30.64508 8.160299       3.304753  8.920616       3.477244  -7.325165      62.76445 
1 1 1 16  -2  24 o 111.2456 38.48767 0.7004289      3.156426  6.156158       3.315696  -51.39384      61.45773 
1 1 1 16  -2  25 o 136.7120 37.72397 3.922854       3.354251  6.368692       3.254814  -26.51292      64.63940 
1 1 1 16  -1  0  o 447.3967 19.43868 46.35976       5.379252  42.42096       5.384616  20.28183       39.24529 
1 1 1 16  -1  1  o 681.6295 18.00644 105.4446       7.652288  100.2162       7.562456  17.44580       36.21028 
1 1 1 16  -1  2  o 206.6106 31.44604 10.23447       3.838930  9.345196       3.971048  10.23395       63.83909 
1 1 1 16  -1  3  o 236.8851 39.31770 0.000000       0.000000  13.10462       3.942165  ?              ?        
1 1 1 16  -1  4  o 342.1058 20.61925 26.55692       4.360301  25.53028       4.350533  6.924744       41.77673 
1 1 1 16  -1  5  o 393.9544 18.80659 32.80331       4.462495  36.22533       4.713056  -19.49869      37.94841 
1 1 1 16  -1  6  o 163.0673 35.65415 6.454942       3.438112  6.000739       3.577629  5.220184       66.09422 
1 1 1 16  -1  7  f 233.5577 25.90919 13.33270       3.603623  11.17332       3.784340  22.59291       54.10077 
1 1 1 16  -1  8  o 139.7679 37.88695 7.153899       3.300515  1.806966       3.436428  58.41481       63.04764 
1 1 1 16  -1  9  o 475.2430 17.01895 52.68050       5.059368  47.35047       4.960377  25.58060       34.26667 
1 1 1 16  -1  10 o 378.2620 18.37778 32.25419       4.268381  31.17801       4.330958  6.678833       37.10201 
1 1 1 16  -1  11 o 714.3071 17.04331 115.8764       7.652704  109.7055       7.454945  19.50311       34.28022 
1 1 1 16  -1  12 o 492.7341 18.02344 50.92742       5.577065  56.37320       5.425352  -25.65640      36.39513 
1 1 1 16  -1  13 o 283.2387 23.27904 15.99426       4.017170  19.94955       4.091931  -32.47876      47.85349 
1 1 1 16  -1  14 o 854.5368 18.00477 158.4982       9.446487  164.6755       9.644783  -16.24963      36.22232 
1 1 1 16  -1  15 o 107.9915 39.39503 2.662110       3.349916  1.830589       3.513069  5.986588       64.99021 
1 1 1 16  -1  16 o 299.1796 20.69243 17.12176       3.761885  23.11794       3.873759  -46.35376      42.55635 
1 1 1 16  -1  17 o 115.3669 38.38434 -0.9970805     3.248421  6.852158       3.178550  -77.45617      58.87034 
1 1 1 16  -1  18 f 109.4499 38.16478 2.431900       3.187083  2.847314       3.177178  -4.014473      63.07512 
1 1 1 16  -1  19 o 213.5215 26.53844 11.84712       3.468221  9.369341       3.411338  27.22926       55.68760 
1 1 1 16  -1  20 o 378.1692 18.10213 29.56122       4.137290  35.28852       4.338209  -34.10565      36.91970 
1 1 1 16  -1  21 o 84.41527 35.36175 0.9601629      3.168905  0.4615723      3.058244  5.012642       58.26174 
1 1 1 16  -1  22 o 98.99960 37.62709 1.281800       3.107744  2.998329       3.280408  -16.18710      61.35186 
1 1 1 16  -1  23 o 120.1121 37.68750 2.170549       3.102941  5.494360       3.148705  -34.65931      62.14125 
1 1 1 16  -1  24 o 344.9548 19.02569 28.30270       4.121209  26.54370       3.992646  10.87857       39.24046 
1 1 1 16  -1  25 o 181.0403 36.11282 7.564365       5.002302  9.307453       3.321613  -33.20940      70.40977 
1 1 1 16  -1  26 o 83.28305 37.95629 -2.321055      4.737340  1.226570       4.010075  -10.25950      61.88629 
1 1 1 16  0   0  o 714.1141 17.98838 115.4283       8.041336  110.2484       7.885252  16.38806       36.16033 
1 1 1 16  0   1  o 751.3889 17.84220 121.6059       8.171718  128.2397       8.468805  -19.77655      35.90084 
1 1 1 16  0   2  o 451.5696 18.32279 48.53297       5.206319  42.04343       5.041430  32.72766       36.95261 
1 1 1 16  0   3  o 458.7077 18.08297 46.85355       5.139639  46.35803       5.131079  2.467834       36.42459 
1 1 1 16  0   4  o 155.3848 38.47966 7.034481       3.747220  4.444726       3.634072  29.21138       68.23631 
1 1 1 16  0   5  o 258.9500 24.75090 16.78503       3.936887  13.33791       3.918111  31.35579       51.33195 
1 1 1 16  0   6  o 203.9619 30.14888 9.296208       3.589401  9.743124       3.820827  -4.334900      61.39254 
1 1 1 16  0   7  o 198.8165 30.64141 8.138980       3.666610  9.955456       3.648983  -20.79047      61.89745 
1 1 1 16  0   8  f 153.2714 36.97364 4.061975       3.341954  7.242555       3.624168  -37.51498      65.83331 
1 1 1 16  0   9  o 490.1083 16.98591 51.16369       5.011298  55.30990       5.314714  -18.91702      34.17438 
1 1 1 16  0   10 o 249.1835 23.69201 11.08878       3.470567  17.30762       3.786324  -57.49744      49.31392 
1 1 1 16  0   11 o 314.7841 20.44041 22.84649       3.967843  21.25484       3.971671  11.73483       41.48650 
1 1 1 16  0   12 o 507.2057 16.92560 56.05377       5.294629  57.72391       5.341370  -7.481598      34.04165 
1 1 1 16  0   13 o 712.6620 16.93499 115.1151       7.542076  109.2450       7.432337  18.71936       34.05567 
1 1 1 16  0   14 o 168.2479 34.46060 5.043705       3.477755  8.155166       3.473219  -36.81380      64.31123 
1 1 1 16  0   15 o 348.4086 20.72452 22.56944       4.306360  32.17904       4.628774  -62.92761      42.28998 
1 1 1 16  0   16 f 778.3340 16.77839 131.3134       7.973742  137.0648       8.234315  -16.45294      33.77206 
1 1 1 16  0   17 o 274.6026 21.73976 17.43967       3.634324  16.42642       3.712921  8.954102       44.58139 
1 1 1 16  0   18 o 242.9595 23.04356 12.86599       3.460930  13.88688       3.402700  -10.26129      47.78188 
1 1 1 16  0   19 o 109.6313 38.00690 2.869589       3.169370  2.510243       3.137969  3.819695       62.83935 
1 1 1 16  0   20 o 435.1515 16.88084 42.45079       4.611310  42.42370       4.487342  -0.3834839     34.22502 
1 1 1 16  0   21 o 215.1123 30.56327 16.19794       4.973626  8.786005       3.392732  63.00836       64.33425 
1 1 1 16  0   22 o 161.7988 44.39139 10.73010       5.047521  4.474027       4.236563  56.21716       76.33126 
1 1 1 16  0   23 o 190.1807 44.05134 12.67113       5.027757  7.047924       5.164316  52.38622       79.25095 
1 1 1 16  0   24 o 248.4466 33.77984 14.57031       4.753282  17.25977       5.463114  -15.26248      73.61366 
1 1 1 16  0   25 o 111.4226 47.79029 2.593479       4.182366  0.000000       0.000000  ?              ?        
1 1 1 16  0   26 o 98.09671 39.43174 2.952677       3.142567  0.4654686      4.602228  7.655960       63.31436 
1 1 1 16  1   0  o 573.7025 18.25772 72.83162       6.481407  72.81748       6.497173  0.8142090E-01  36.72835 
1 1 1 16  1   1  o 313.5647 23.61435 22.90078       4.605981  21.08775       4.514380  13.23193       48.15157 
1 1 1 16  1   2  o 174.5949 35.44243 6.547723       3.705493  7.710471       3.709141  -13.43214      67.06174 
1 1 1 16  1   3  o 332.6596 20.80034 26.03183       4.351292  23.31888       4.194591  18.51337       42.16750 
1 1 1 16  1   4  o 249.9360 24.56383 16.71731       3.840227  11.55198       3.683169  48.21744       51.23244 
1 1 1 16  1   5  o 161.3345 36.17624 7.177029       3.521445  5.011347       3.540482  25.22903       66.11777 
1 1 1 16  1   6  o 366.7140 19.22477 29.00363       4.315659  30.66478       4.401574  -10.28186      38.81628 
1 1 1 16  1   7  o 225.8965 27.07472 14.78477       3.780232  8.474900       3.659579  65.25328       56.79401 
1 1 1 16  1   8  o 265.9128 23.31856 14.65588       3.735551  17.06265       3.883841  -20.77498      47.79350 
1 1 1 16  1   9  o 95.62607 37.87693 0.9367410      3.349061  1.455783       3.325315  -4.074852      62.68366 
1 1 1 16  1   10 o 171.5414 33.72416 9.169323       3.459574  4.514611       3.461686  54.75357       62.88002 
1 1 1 16  1   11 o 316.9116 19.90378 21.23527       3.802106  23.53358       3.990873  -16.34448      40.32302 
1 1 1 16  1   12 o 733.3848 16.45519 123.0122       7.581797  114.7310       7.393792  25.59204       33.08490 
1 1 1 16  1   13 o 121.9804 40.08455 1.632937       3.404052  5.150045       3.620254  -37.01611      66.23977 
1 1 1 16  1   14 o 315.0598 21.10881 21.89309       3.954771  22.32326       4.266237  -2.432922      42.93310 
1 1 1 16  1   15 o 366.6163 19.26937 27.15887       4.249377  32.81721       4.494635  -35.05408      38.96111 
1 1 1 16  1   16 o 139.8068 37.21706 6.314373       3.272220  2.895567       3.297000  39.08472       63.90337 
1 1 1 16  1   17 o 132.0446 36.90783 6.227326       3.141331  2.038938       3.138325  47.85892       61.86743 
1 1 1 16  1   18 f 94.36156 36.80208 -0.5872206     3.212918  3.148968       3.013506  -30.32715      59.83881 
1 1 1 16  1   19 o 281.5946 28.36585 15.50117       4.762493  21.39489       5.022829  -48.42209      59.83886 
1 1 1 16  1   20 o 194.3508 37.86335 8.740524       4.441940  9.793509       4.360465  -11.52026      73.30049 
1 1 1 16  1   21 o 213.2353 36.55318 10.63145       4.731599  11.91372       4.593711  -14.34373      73.92538 
1 1 1 16  1   22 o 146.7234 39.62794 7.948287       3.275020  1.451756       4.320238  60.91875       64.88925 
1 1 1 16  1   23 o 105.5739 39.59471 0.7129223      3.042555  6.157635       4.277222  -52.55469      66.25964 
1 1 1 16  1   24 o 220.9729 33.31399 10.83816       4.495749  13.80311       4.356885  -32.95552      70.20998 
1 1 1 16  1   25 o 233.6400 31.64614 15.29768       4.796549  12.53354       4.200062  19.64381       68.46870 
1 1 1 16  1   26 o 79.99648 35.95438 1.161511       4.134048  -0.8982915     3.418950  17.00880       59.66381 
1 1 1 16  1   27 o 73.29810 32.99366 -0.5970601     4.059104  0.1115001E-01  2.665553  10.10671       55.37392 
1 1 1 16  2   0  o 350.3562 22.13083 25.37338       4.767817  29.31495       4.802748  -26.00876      44.99117 
1 1 1 16  2   1  o 265.0077 27.04974 11.38663       4.268340  20.77954       4.510497  -82.94884      57.58964 
1 1 1 16  2   2  o 252.5827 37.13273 0.000000       0.000000  14.74529       3.991278  ?              ?        
1 1 1 16  2   3  o 449.3946 25.61272 45.14487       5.027855  0.000000       0.000000  ?              ?        
1 1 1 16  2   4  o 620.0419 17.06601 86.51509       6.638031  83.47243       6.480347  11.01776       34.29737 
1 1 1 16  2   5  o 121.4356 40.51582 5.193177       3.586272  1.229797       3.572107  38.84424       66.40488 
1 1 1 16  2   6  o 411.2818 18.26408 37.66316       4.663083  37.21686       4.633125  2.446289       36.79699 
1 1 1 16  2   7  o 350.6058 19.33642 28.22259       4.231380  26.32686       4.148170  12.31805       39.06352 
1 1 1 16  2   8  f 605.0067 16.32954 85.15865       6.240881  76.74760       6.011256  31.53021       32.80018 
1 1 1 16  2   9  o 216.8679 26.74314 11.98279       3.588660  9.367660       3.458103  27.92361       55.27341 
1 1 1 16  2   10 o 640.2459 16.16071 87.01809       6.291375  94.25298       6.542436  -25.53381      32.45568 
1 1 1 16  2   11 o 753.5610 16.65029 125.4861       7.766019  125.2587       7.800431  0.7395630      33.47143 
1 1 1 16  2   12 o 384.3804 17.83695 30.67520       4.217306  34.83403       4.265975  -24.81952      36.01846 
1 1 1 16  2   13 o 317.0989 19.41634 22.37436       3.799059  22.31142       3.802829  0.4678955      39.31014 
1 1 1 16  2   14 f 412.7056 21.06570 43.10618       4.657282  27.35265       6.576921  97.05881       50.97970 
1 1 1 16  2   15 o 185.8906 31.95770 10.49085       3.519093  5.341795       3.586446  59.62733       62.08776 
1 1 1 16  2   16 o 290.5785 22.55199 16.77762       3.928072  21.22222       4.147330  -35.02136      46.15471 
1 1 1 16  2   17 o 545.5646 23.21927 63.22873       7.657179  70.18899       8.036606  -28.41980      47.01779 
1 1 1 16  2   18 o 391.6426 25.10921 33.63939       5.972145  35.63766       6.168619  -11.15762      51.29838 
1 1 1 16  2   19 o 240.3865 31.90302 13.76470       4.581391  13.20842       4.700782  6.208130       66.64361 
1 1 1 16  2   20 o 120.5350 40.26810 4.508104       3.050835  1.183431       4.361122  20.62013       66.22547 
1 1 1 16  2   21 o 264.3331 23.54833 12.82784       3.250248  23.29064       4.860139  -78.52344      49.22247 
1 1 1 16  2   22 o 147.5914 41.99415 -0.2569168     3.869015  12.82380       4.207650  -122.0682      62.88855 
1 1 1 16  2   23 o 143.9344 41.37421 6.382419       3.963010  4.682366       3.821407  16.79294       70.74471 
1 1 1 16  2   24 o 71.53725 32.07508 -0.4819245     3.742414  -0.3652697     2.507095  14.18838       54.82151 
1 1 1 16  2   25 o 81.89706 34.03170 1.656841       2.910150  0.3082882      2.790497  11.68212       55.56442 
1 1 1 16  2   26 f 138.5984 31.82950 6.107007       2.717161  4.001847       2.641967  26.91212       58.14222 
1 1 1 16  2   27 o 60.65273 28.14018 -2.656808      2.640124  0.4642052      2.435466  -15.64139      47.43751 
1 1 1 16  3   0  o 445.5705 19.41294 45.92735       5.423212  42.16040       5.285054  19.20386       39.13918 
1 1 1 16  3   1  o 242.8152 29.12615 11.98723       4.248045  14.80125       4.353131  -27.00224      60.40063 
1 1 1 16  3   2  o 148.4873 40.10788 1.445715       3.733095  9.143888       3.830108  -80.39209      65.37060 
1 1 1 16  3   3  o 723.6088 17.38211 110.9905       7.667014  120.7174       7.945009  -30.38586      34.96590 
1 1 1 16  3   4  o 483.9979 17.53150 50.87678       5.250945  52.74770       5.258772  -8.862457      35.28007 
1 1 1 16  3   5  o 212.6411 29.66967 9.682512       3.837241  10.88315       3.777826  -13.31029      60.83752 
1 1 1 16  3   6  o 553.3041 16.98765 67.77348       5.868021  67.46973       5.780365  1.139404       34.14211 
1 1 1 16  3   7  o 103.8381 39.07564 5.587277       3.536594  -1.433110      3.316271  65.69721       62.28852 
1 1 1 16  3   8  o 146.1270 37.67445 4.872178       3.450730  5.128822       3.423180  -2.841003      66.54848 
1 1 1 16  3   9  o 491.7650 16.65988 50.87742       4.995011  56.11674       5.158525  -24.19580      33.49467 
1 1 1 16  3   10 o 248.3732 23.71224 15.52901       3.639058  12.16021       3.579823  31.76665       49.08062 
1 1 1 16  3   11 o 577.1693 16.18717 73.54932       5.747134  73.57600       5.833365  0.1312256E-01  32.52365 
1 1 1 16  3   12 o 177.2540 31.20909 9.095528       3.384407  5.563335       3.233342  42.63274       60.66719 
1 1 1 16  3   13 o 149.1039 35.50330 5.537076       3.374579  4.958713       3.113950  7.618774       64.24427 
1 1 1 16  3   14 f 344.9062 26.48741 26.68958       3.976539  0.000000       0.000000  ?              ?        
1 1 1 16  3   15 o 498.8058 16.38312 53.14605       4.978276  56.92787       5.150898  -17.12607      32.93589 
1 1 1 16  3   16 o 78.97566 35.94798 -3.010962      4.328476  -0.5755418     3.527620  -2.095825      61.57315 
1 1 1 16  3   17 o 181.1401 43.76348 5.893581       4.629811  10.35210       5.133060  -43.88652      78.16777 
1 1 1 16  3   18 o 385.1565 24.74623 29.99187       5.557813  37.72782       6.268278  -44.05640      50.49718 
1 1 1 16  3   19 o 518.2385 16.50011 65.98196       5.287655  53.33522       5.307597  56.27692       33.48752 
1 1 1 16  3   20 o 434.7603 21.92063 42.63468       5.978712  42.70337       5.810331  -1.115204      44.69624 
1 1 1 16  3   21 o 188.7737 37.28332 5.974782       4.283375  11.39867       4.142044  -57.99709      70.06383 
1 1 1 16  3   22 o 235.7387 30.21732 13.38004       4.416666  13.30152       4.224361  -1.135437      64.31331 
1 1 1 16  3   23 o 83.85384 33.93275 3.114047       2.916265  -0.6103198     2.588835  36.31639       55.81419 
1 1 1 16  3   24 o 77.80713 32.71037 0.2040170      2.844892  0.9319735      2.536852  -2.125404      53.77153 
1 1 1 16  3   25 o 78.01006 35.65873 -0.7251418     2.727411  0.000000       0.000000  ?              ?        
1 1 1 16  3   26 o 151.8678 30.85395 8.342502       2.919677  3.799571       2.707121  56.81506       57.26725 
1 1 1 16  3   27 o 72.55322 31.19842 1.589276       2.645065  -0.5203863     2.433766  18.47021       51.36342 
1 1 1 16  3   28 o 88.28568 39.14870 0.000000       0.000000  0.8234555      3.014798  ?              ?        
1 1 1 16  4   0  o 253.3949 28.43458 10.86672       4.335494  18.35149       4.451819  -69.46703      60.09732 
1 1 1 16  4   1  o 368.8051 21.60239 31.64596       4.965543  28.88658       4.876661  17.11533       43.74745 
1 1 1 16  4   2  o 379.5420 20.26770 30.87354       4.712489  33.14687       4.797609  -13.65039      40.96838 
1 1 1 16  4   3  o 272.2089 24.22668 16.39346       4.038288  16.81954       4.058071  -3.615021      49.68631 
1 1 1 16  4   4  o 842.3153 17.88091 157.8740       9.426891  155.7101       9.261072  5.647156       35.95709 
1 1 1 16  4   5  o 632.0447 16.90027 87.65025       6.602749  88.81954       6.637693  -4.191345      33.95261 
1 1 1 16  4   6  o 348.3983 19.98721 28.42785       4.377928  25.54091       4.228904  18.83792       40.41502 
1 1 1 16  4   7  f 495.0387 17.06100 54.24222       5.277699  54.03647       5.186122  0.8261108      34.30564 
1 1 1 16  4   8  o 140.5743 38.30951 3.226451       3.396498  6.057634       3.466828  -32.09767      65.90123 
1 1 1 16  4   9  o 234.9859 25.44491 14.06795       3.738094  10.90547       3.567691  31.18886       52.67596 
1 1 1 16  4   10 o 669.2127 16.32511 98.21320       6.794195  99.36176       6.759903  -3.975098      32.81728 
1 1 1 16  4   11 o 426.1204 17.42551 39.57407       4.620760  40.74421       4.572405  -6.388306      35.09358 
1 1 1 16  4   12 o 313.0973 19.40099 23.72375       3.768736  19.87005       3.730680  28.41861       39.42912 
1 1 1 16  4   13 o 654.1047 18.85568 83.59125       9.446340  100.1929       6.589112  -64.56879      42.11158 
1 1 1 16  4   14 o 376.4931 25.08266 31.71723       4.118585  0.000000       0.000000  ?              ?        
1 1 1 16  4   15 o 337.3753 19.86127 23.62560       4.102150  27.00293       4.175209  -22.98859      40.24540 
1 1 1 16  4   16 o 152.3915 45.29165 4.763875       4.463649  6.218433       4.737386  -14.86975      77.13673 
1 1 1 16  4   17 o 90.74432 40.72232 -4.588720      4.510368  2.903241       5.054769  -47.48544      70.04501 
1 1 1 16  4   18 o 294.4797 23.19739 20.64756       3.661198  17.25283       5.090042  33.21420       52.85717 
1 1 1 16  4   19 o 311.1331 26.30070 25.57691       5.158655  18.75360       4.907897  50.61838       54.77425 
1 1 1 16  4   20 o 228.4686 30.20021 10.84132       4.145726  13.54738       4.205655  -27.62477      63.06993 
1 1 1 16  4   21 o 310.0753 24.15217 19.13877       4.543999  25.02617       4.676789  -44.15314      50.39015 
1 1 1 16  4   22 o 73.48136 31.61460 0.2152245      2.707695  0.7050267E-01  2.510529  3.899414       52.62804 
1 1 1 16  4   23 o 263.4924 18.34560 14.60660       2.988317  16.94852       2.971466  -21.02579      37.86875 
1 1 1 16  4   24 o 171.4401 25.53861 8.935507       2.786384  5.485303       2.502806  43.49706       52.36843 
1 1 1 16  4   25 o 150.1599 29.81346 6.664547       2.784204  4.800209       2.585002  23.65828       57.36553 
1 1 1 16  4   26 o 140.5119 30.94525 6.103597       2.774821  4.248152       2.495728  22.98328       57.69639 
1 1 1 16  4   27 o 69.91663 30.52223 -0.2171721     2.480915  0.6841050      2.518622  -7.046890      50.18356 
1 1 1 16  4   28 o 75.21738 31.21420 2.037999       2.452422  -0.1450715     2.335438  19.61021       50.78938 
1 1 1 16  5   0  x ?        ?        -24.79202      4.956608  -28.58306      4.987111  ?              ?        
1 1 1 16  5   1  o 93.42611 39.72223 1.495252       4.021197  -1.144557      4.024201  17.70454       66.36547 
1 1 1 16  5   2  o 358.1728 31.63593 28.98090       4.919164  0.000000       0.000000  ?              ?        
1 1 1 16  5   3  o 421.5035 18.98391 36.39462       4.825109  42.69487       5.087146  -33.88077      38.29575 
1 1 1 16  5   4  o 267.2300 24.84590 15.32869       4.031912  16.74177       4.112242  -12.18735      51.07751 
1 1 1 16  5   5  o 310.4957 21.99421 21.06535       4.174625  21.90887       4.243863  -6.145386      44.69692 
1 1 1 16  5   6  o 282.4879 23.32261 20.55445       4.118568  15.26938       3.985720  43.41977       48.09795 
1 1 1 16  5   7  o 506.9020 17.14059 55.77525       5.368979  57.77234       5.395050  -9.000122      34.46396 
1 1 1 16  5   8  o 568.9407 16.86533 73.41292       6.029111  69.64923       5.865534  14.94019       33.88652 
1 1 1 16  5   9  o 260.1764 24.13290 14.07392       3.809868  16.28086       3.892432  -19.69247      49.61650 
1 1 1 16  5   10 o 431.3802 17.31822 43.82661       4.677012  38.57903       4.574362  27.77780       34.88805 
1 1 1 16  5   11 o 326.9911 19.88162 26.67230       4.097711  21.04932       3.934685  39.40915       40.39183 
1 1 1 16  5   12 o 178.8937 31.52439 4.890687       3.391723  9.816553       3.349754  -58.58202      60.71913 
1 1 1 16  5   13 o 124.0825 44.79968 0.000000       0.000000  3.071850       3.124370  ?              ?        
1 1 1 16  5   14 o 178.4075 36.34790 8.468557       3.384631  5.504943       4.705875  30.70441       69.32349 
1 1 1 16  5   15 o 411.7717 17.51361 35.69246       4.476190  39.35163       4.450507  -20.48651      35.33675 
1 1 1 16  5   16 o 377.3855 25.70105 29.82800       5.859309  34.10832       6.109990  -25.70959      52.35220 
1 1 1 16  5   17 o 572.5038 22.91562 75.14463       8.115602  70.92889       8.127846  17.01312       46.33309 
1 1 1 16  5   18 o 276.5310 21.19498 19.44938       3.550499  14.63445       3.668455  41.32002       44.15766 
1 1 1 16  5   19 o 345.8139 24.58686 23.17603       5.177890  31.02053       5.304121  -52.69431      50.88217 
1 1 1 16  5   20 o 680.8541 21.58526 101.9767       9.097044  106.3862       9.112915  -14.92462      43.78661 
1 1 1 16  5   21 o 251.0916 20.93608 12.49591       3.293982  15.96903       3.172063  -33.50331      43.95014 
1 1 1 16  5   22 o 123.0273 34.94471 2.450063       2.900909  4.866543       2.693343  -28.00951      59.22213 
1 1 1 16  5   23 o 139.3475 32.20850 6.447702       2.861829  3.512964       2.611930  37.53883       58.22243 
1 1 1 16  5   24 o 196.4344 22.61835 6.710048       2.763571  11.14720       2.651595  -55.46074      49.10301 
1 1 1 16  5   25 o 290.2439 16.96101 16.62748       3.100596  21.62273       2.983628  -41.55966      35.49927 
1 1 1 16  5   26 o 172.2821 24.82069 7.005232       2.708087  7.397957       2.461806  -8.465012      52.36075 
1 1 1 16  5   27 o 229.2263 19.44392 11.71836       2.863307  12.86135       2.629141  -15.06503      41.54229 
1 1 1 16  5   28 o 112.1325 32.53127 3.731373       2.443322  3.140376       2.348986  7.218033       55.51286 
1 1 1 16  6   0  o 380.8944 23.77687 29.78635       5.575416  35.03477       5.604498  -31.93182      48.45541 
1 1 1 16  6   1  o 143.0400 42.75613 2.810198       4.037089  6.767032       4.135262  -39.41545      71.68996 
1 1 1 16  6   2  f 231.2189 31.38352 13.67018       4.316142  10.58862       4.457765  31.55711       64.82649 
1 1 1 16  6   3  o 457.9575 18.73839 41.71454       5.088209  52.11292       5.568103  -51.20316      37.75904 
1 1 1 16  6   4  o 323.7221 22.17018 26.38095       4.437314  20.36678       4.413090  43.19547       45.48507 
1 1 1 16  6   5  o 144.2127 40.15975 2.749894       3.666525  7.145644       3.786212  -47.17387      67.93303 
1 1 1 16  6   6  o 291.6399 22.42196 18.43805       3.967226  19.54070       4.085890  -8.502716      45.67571 
1 1 1 16  6   7  o 396.8426 18.95204 34.36632       4.607828  35.43343       4.697330  -6.033356      38.22014 
1 1 1 16  6   8  o 204.7241 30.22602 8.860147       3.660830  10.31407       3.788966  -15.93932      61.42799 
1 1 1 16  6   9  o 123.4148 39.61337 3.792903       3.409108  2.984506       3.464391  7.903809       66.40142 
1 1 1 16  6   10 o 421.1632 17.67527 41.18170       4.627601  37.33313       4.587679  20.93954       35.62335 
1 1 1 16  6   11 o 350.2471 19.27662 26.09705       4.079435  28.44298       4.271157  -15.06696      38.94868 
1 1 1 16  6   12 o 417.0666 17.46645 36.42811       4.420625  40.74633       4.602537  -23.47034      35.18467 
1 1 1 16  6   13 o 200.1982 40.63002 0.000000       0.000000  9.457326       3.445805  ?              ?        
1 1 1 16  6   14 o 395.2080 17.50102 34.11594       4.339224  35.04738       4.222821  -5.639832      35.30385 
1 1 1 16  6   15 o 465.0359 16.71606 47.55283       4.891875  48.07096       4.740226  -2.801819      33.65342 
1 1 1 16  6   16 o 119.0418 45.35641 5.051191       4.718202  -0.3029733E-01 4.571589  39.53968       74.17287 
1 1 1 16  6   17 o 275.5840 31.77684 19.75886       5.492539  15.14770       5.186440  38.40942       66.19812 
1 1 1 16  6   18 o 262.7047 22.32915 15.98352       3.548510  14.96644       3.662886  9.510666       45.89928 
1 1 1 16  6   19 o 212.4516 34.87606 8.816371       4.565735  12.21952       4.318398  -36.53716      70.03043 
1 1 1 16  6   20 o 107.3010 41.50665 2.630286       4.086941  1.507929       3.788018  11.56546       68.28016 
1 1 1 16  6   21 o 336.1413 16.96430 24.64734       3.467889  25.96170       3.586885  -8.584167      34.40779 
1 1 1 16  6   22 o 258.3024 19.11825 15.61891       3.116057  14.64752       2.972255  7.993515       39.25441 
1 1 1 16  6   23 o 191.6960 24.11651 8.412152       2.916024  8.817474       2.704768  -7.042343      50.98777 
1 1 1 16  6   24 o 193.7595 22.97198 9.852625       2.846704  7.911543       2.586750  21.45001       48.42762 
1 1 1 16  6   25 o 214.3961 21.08437 12.75581       2.954149  9.161047       2.612890  36.48898       44.53252 
1 1 1 16  6   26 o 162.3151 25.94955 7.742329       2.696661  5.500184       2.382156  27.47592       53.21113 
1 1 1 16  6   27 o 173.7478 23.42756 9.297427       2.589750  5.674206       2.349244  45.98009       49.33129 
1 1 1 16  6   28 o 84.36754 31.55865 1.994851       2.393248  1.461348       2.086887  7.658485       51.43291 
1 1 1 16  6   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  7   0  o 401.4095 21.06531 39.77681       5.403049  32.44611       5.067036  41.32230       42.66500 
1 1 1 16  7   1  o 414.6614 22.41071 42.52997       5.947762  34.54565       5.558262  43.56201       45.38939 
1 1 1 16  7   2  o 331.5861 23.19359 21.40768       4.667966  27.80953       4.816734  -44.53958      47.45013 
1 1 1 16  7   3  o 246.0478 29.53179 14.40258       4.440151  13.03616       4.395047  12.97009       61.14489 
1 1 1 16  7   4  o 403.2173 19.69145 36.40774       4.923965  35.72523       4.896967  3.849457       39.74382 
1 1 1 16  7   5  o 691.6881 24.45119 106.5517       7.406754  0.000000       0.000000  ?              ?        
1 1 1 16  7   6  o 179.7276 35.17783 11.08735       3.835000  4.151395       3.730119  77.05669       64.48517 
1 1 1 16  7   7  o 230.7148 27.30708 13.25843       3.823719  10.79281       3.841220  25.32730       56.71913 
1 1 1 16  7   8  o 564.0825 16.98141 67.16958       5.787092  73.78197       6.095368  -26.40991      34.13150 
1 1 1 16  7   9  o 460.1371 17.62073 46.94350       5.007619  46.71583       5.032948  1.176270       35.46391 
1 1 1 16  7   10 o 336.5636 19.88390 27.04486       4.168978  23.33056       4.097569  25.36636       40.30581 
1 1 1 16  7   11 o 465.0439 17.06340 49.50879       4.897754  46.11933       4.930496  16.78986       34.36482 
1 1 1 16  7   12 o 195.9209 30.34597 8.092313       3.472902  9.591069       3.673336  -16.78130      61.24134 
1 1 1 16  7   13 o 694.9639 23.28803 0.000000       0.000000  107.5324       7.088958  ?              ?        
1 1 1 16  7   14 o 510.2500 16.21139 53.15555       4.979671  62.49882       5.283176  -41.45218      32.60421 
1 1 1 16  7   15 o 160.9562 37.41755 6.255480       3.637007  5.948720       3.693330  3.403992       68.13065 
1 1 1 16  7   16 o 490.9840 23.11082 56.84700       7.086719  50.65065       6.953289  28.83847       46.77384 
1 1 1 16  7   17 f 274.1745 35.67981 23.01061       6.189187  12.50277       5.691064  87.30286       74.07753 
1 1 1 16  7   18 o 124.9079 40.83495 4.105318       3.141415  2.353436       4.495950  5.995392       68.75355 
1 1 1 16  7   19 o 172.5667 41.12052 4.818317       4.262342  9.822175       4.419965  -51.37155      72.90611 
1 1 1 16  7   20 o 383.4388 22.55164 30.78205       5.273342  35.66227       5.409952  -29.09055      46.07985 
1 1 1 16  7   21 o 541.3058 14.74666 63.17071       4.878403  67.28343       5.018713  -17.02917      29.73378 
1 1 1 16  7   22 o 313.8904 16.73113 20.73331       3.198446  23.58974       3.295730  -20.66486      34.03710 
1 1 1 16  7   23 o 180.5955 24.52933 8.848723       2.742366  6.631573       2.616062  27.79141       51.20864 
1 1 1 16  7   24 o 174.5615 25.02430 9.842567       2.791708  5.154641       2.497472  59.02208       51.34462 
1 1 1 16  7   25 o 162.3801 26.78493 5.528207       2.717093  7.198296       2.503944  -24.85323      54.40884 
1 1 1 16  7   26 o 275.9746 16.78181 18.01371       3.006394  17.04500       2.731955  5.683014       34.69712 
1 1 1 16  7   27 f 230.8530 22.27692 14.52933       4.065670  11.96063       2.663162  6.150711       51.47682 
1 1 1 16  7   28 o 160.9888 23.92550 6.006858       2.486843  6.716050       2.177419  -14.80928      50.59102 
1 1 1 16  7   29 o 157.9277 24.47870 5.259782       2.467804  7.060282       2.196807  -30.09442      51.11140 
1 1 1 16  8   0  o 106.7440 41.49683 0.2965058      3.887753  3.395551       3.998513  -25.66302      68.20988 
1 1 1 16  8   1  o 285.3164 25.83643 20.04857       4.488401  16.51826       4.558854  29.45303       53.59394 
1 1 1 16  8   2  o 53.68919 27.11077 -10.43614      4.280512  -9.441301      4.334192  -3.153244      50.61510 
1 1 1 16  8   3  o 398.4796 20.66484 32.44494       4.939650  38.39576       5.256272  -33.79120      41.74994 
1 1 1 16  8   4  o 405.7760 21.09089 35.80651       5.231916  37.35136       5.351291  -8.550720      42.61198 
1 1 1 16  8   5  o 738.5509 17.63503 124.7829       8.230474  116.5250       7.936134  25.18988       35.47247 
1 1 1 16  8   6  o 139.3019 40.75992 0.7234595      3.665630  8.664526       3.830273  -81.40716      65.02553 
1 1 1 16  8   7  o 440.6291 18.38861 45.09361       5.079156  41.01048       4.953476  21.08188       37.05920 
1 1 1 16  8   8  o 333.0216 20.89122 23.08073       4.215110  26.38643       4.377427  -22.60660      42.36049 
1 1 1 16  8   9  o 245.4934 25.75594 12.04147       3.849083  15.11849       3.878893  -29.55655      53.52567 
1 1 1 16  8   10 o 150.4569 38.35246 5.797661       3.589721  4.872954       3.589585  10.41150       67.90564 
1 1 1 16  8   11 o 519.2114 16.81518 60.61195       5.447598  58.62194       5.370530  8.671021       33.81505 
1 1 1 16  8   12 o 260.7690 23.84532 16.80643       3.835986  13.73181       3.793540  27.61848       49.24523 
1 1 1 16  8   13 o 97.24211 38.26092 1.328134       3.461740  1.325650       3.312525  1.823219       63.27744 
1 1 1 16  8   14 o 553.4104 16.29371 66.00292       5.568655  69.40944       5.606350  -14.05493      32.75942 
1 1 1 16  8   15 o 97.26015 39.12811 4.299123       3.691104  -1.850936      3.547482  50.72559       63.84993 
1 1 1 16  8   16 o 317.5722 20.32641 21.62022       3.957516  23.28123       4.009417  -11.99713      41.22279 
1 1 1 16  8   17 o 329.1921 29.72433 26.96460       6.001069  22.11814       6.007981  34.89212       61.81692 
1 1 1 16  8   18 o 267.5784 31.28952 20.22285       5.121351  12.69484       5.070292  66.65924       66.29323 
1 1 1 16  8   19 o 317.5016 22.79040 25.85284       4.039880  17.76203       5.042528  65.67990       51.79655 
1 1 1 16  8   20 o 308.7000 26.46997 21.85966       5.029114  21.68747       5.010801  1.223419       54.85493 
1 1 1 16  8   21 o 93.39477 37.23194 -0.2927658     4.105906  2.042394       2.766242  -3.099770      61.62039 
1 1 1 16  8   22 o 163.3237 28.82095 8.354716       2.905740  4.608148       2.729036  48.24919       56.11468 
1 1 1 16  8   23 o 413.3074 15.10217 37.61803       3.887467  39.08257       3.843768  -8.428741      30.64690 
1 1 1 16  8   24 o 250.6684 19.18318 14.22368       3.081087  14.55748       2.852551  -5.005646      39.91124 
1 1 1 16  8   25 o 187.4380 23.96208 9.279101       2.889195  7.656156       2.581652  17.12126       50.77619 
1 1 1 16  8   26 o 175.6581 24.36541 6.123604       2.601926  8.810054       2.565591  -36.55379      51.44693 
1 1 1 16  8   27 o 240.4209 18.05085 14.28259       2.785018  12.72213       2.572446  13.01994       37.67245 
1 1 1 16  8   28 o 91.05938 32.35436 2.880681       2.502346  1.650360       2.131539  14.77636       52.99743 
1 1 1 16  8   29 o 255.7515 15.90884 16.14496       2.679357  14.46419       2.371538  11.62311       33.14490 
1 1 1 16  9   0  o 313.7352 23.91984 23.55190       4.707754  20.83555       4.537168  19.63794       48.97843 
1 1 1 16  9   1  o 272.2535 26.23173 16.35661       4.379426  17.12187       4.371290  -6.681641      54.19481 
1 1 1 16  9   2  o 258.0760 29.12464 15.22353       4.712003  14.99810       4.460737  1.093277       60.48578 
1 1 1 16  9   3  f 192.7086 37.91103 10.58893       4.331566  6.697268       4.410326  41.15952       71.69246 
1 1 1 16  9   4  o 334.0610 23.04257 22.77710       4.584353  27.28467       4.925471  -30.47629      46.82510 
1 1 1 16  9   5  o 192.6495 36.92124 7.462449       4.082096  10.04241       4.444388  -27.52791      70.86456 
1 1 1 16  9   6  o 152.4623 41.33361 6.270616       3.921646  4.617239       4.097019  16.46268       71.78300 
1 1 1 16  9   7  o 591.2720 17.28958 78.68637       6.319245  75.89309       6.350129  10.88159       34.76962 
1 1 1 16  9   8  o 167.8997 36.79438 5.062512       3.682015  8.256657       3.771879  -36.37013      67.38945 
1 1 1 16  9   9  o 258.3103 24.65567 14.77529       3.811656  15.21417       4.000876  -3.365479      50.76425 
1 1 1 16  9   10 o 603.4194 16.93527 79.55701       6.266493  81.48125       6.401322  -7.102417      34.04459 
1 1 1 16  9   11 o 166.8914 35.33255 5.716671       3.491752  7.385689       3.598099  -19.67709      65.92924 
1 1 1 16  9   12 o 335.6355 23.66928 29.22236       5.958694  23.13193       4.254062  36.75595       49.46855 
1 1 1 16  9   13 o 644.2305 19.02835 94.96951       9.282996  90.46648       6.585438  10.98828       40.37690 
1 1 1 16  9   14 o 185.7526 38.46958 8.371664       5.121646  7.985430       3.760482  3.956284       73.89882 
1 1 1 16  9   15 o 204.0525 35.91032 11.46010       5.128029  8.659407       3.885269  26.74554       71.63683 
1 1 1 16  9   16 o 525.3901 19.20861 59.17234       7.399844  62.33309       5.509675  -17.58441      40.85171 
1 1 1 16  9   17 o 543.1766 19.89797 73.33013       8.268911  61.76796       5.771663  42.81274       41.74368 
1 1 1 16  9   18 o 124.7115 47.60859 4.165631       4.759250  1.030657       5.582852  14.83037       77.89359 
1 1 1 16  9   19 o 214.4082 30.87608 10.99225       3.427384  10.01719       4.962706  17.08835       66.83152 
1 1 1 16  9   20 o 216.6217 35.03136 11.98207       4.510050  10.32055       4.584341  17.65765       71.02193 
1 1 1 16  9   21 o 147.0756 41.77021 6.693282       4.001059  4.204265       3.976114  24.94283       71.43754 
1 1 1 16  9   22 o 258.8510 19.53510 16.33426       3.182780  14.17004       3.048769  18.84285       40.20097 
1 1 1 16  9   23 o 346.1905 22.87025 27.77400       3.453405  0.000000       0.000000  ?              ?        
1 1 1 16  9   24 o 156.2621 29.26245 7.348573       2.901810  4.936783       2.589350  30.13725       57.09958 
1 1 1 16  9   25 o 84.67682 32.90450 -0.5017670     2.565360  3.103190       2.398499  -32.36619      52.70844 
1 1 1 16  9   26 o 137.0541 29.57626 5.166749       2.584604  4.532200       2.318333  6.969963       55.80857 
1 1 1 16  9   27 f 109.2187 32.42142 4.257596       2.530490  2.405844       2.212268  22.92948       55.01414 
1 1 1 16  9   28 o 94.94697 32.64186 2.532658       2.495883  2.361632       2.183758  2.819542       53.49971 
1 1 1 16  9   29 o 122.8898 37.79638 0.000000       0.000000  4.608931       2.235290  ?              ?        
1 1 1 16  10  0  o 436.8708 20.31877 37.30121       5.405461  48.35802       5.581373  -57.99860      41.39167 
1 1 1 16  10  1  o 218.4071 32.48600 11.31512       4.420294  10.82125       4.129499  3.997284       66.48737 
1 1 1 16  10  2  o 278.0493 26.40161 16.99477       4.580277  17.88938       4.422233  -8.227539      54.62721 
1 1 1 16  10  3  f 416.0292 29.29917 38.99165       5.312442  0.000000       0.000000  ?              ?        
1 1 1 16  10  4  o 423.1779 21.56943 36.13006       5.643952  43.46886       5.642903  -40.07901      43.80928 
1 1 1 16  10  5  o 407.7556 20.26608 40.55974       5.208611  33.47144       5.016829  39.69040       40.99244 
1 1 1 16  10  6  o 402.7333 20.44185 35.92793       5.072906  36.05798       5.107587  -0.6785583     41.27935 
1 1 1 16  10  7  o 707.1840 17.77534 113.2122       7.860498  107.9841       7.724325  16.74408       35.72307 
1 1 1 16  10  8  f 547.4087 17.77401 67.55963       6.100467  65.08216       5.957089  10.15540       35.75467 
1 1 1 16  10  9  o 202.3347 31.41302 12.03527       3.771732  6.639670       3.859636  59.88350       63.03781 
1 1 1 16  10  10 o 281.7732 23.61791 19.79882       4.138289  15.84995       4.043787  32.56223       48.60188 
1 1 1 16  10  11 o 271.9787 24.35500 15.31919       4.090063  17.84605       4.041535  -22.03421      50.26193 
1 1 1 16  10  12 o 219.0673 30.17957 9.932461       3.928647  12.05897       4.059158  -22.14470      61.99871 
1 1 1 16  10  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  10  14 o 139.9444 40.89160 6.609982       3.853717  2.706892       3.694781  41.19218       68.81933 
1 1 1 16  10  15 o 222.1796 30.02129 9.799648       3.940134  12.87187       4.130256  -31.57091      61.77023 
1 1 1 16  10  16 o 596.7412 17.05109 84.23336       6.486564  73.91869       6.138515  39.01007       34.29388 
1 1 1 16  10  17 o 438.4138 18.54094 40.39302       4.935903  45.17450       5.131727  -24.66119      37.42021 
1 1 1 16  10  18 o 204.3157 40.11720 12.04206       4.790498  7.746514       5.023712  43.18947       76.25429 
1 1 1 16  10  19 o 194.0698 40.48733 5.999404       4.560750  12.75497       4.888675  -66.99629      74.39946 
1 1 1 16  10  20 o 119.7348 38.38396 5.203452       3.163568  1.411360       3.294744  38.41692       62.84360 
1 1 1 16  10  21 o 90.73721 39.02531 -2.960356      4.030050  3.405482       3.902164  -39.01922      64.27591 
1 1 1 16  10  22 o 436.0290 18.39314 49.83992       6.368429  39.87111       4.206452  40.50430       39.40835 
1 1 1 16  10  23 o 187.1437 26.01860 9.131537       3.027274  7.645399       2.857836  17.05994       54.44578 
1 1 1 16  10  24 o 100.3737 34.85015 2.088432       2.664289  2.775435       2.639724  -7.096672      57.28547 
1 1 1 16  10  25 o 62.66434 28.81373 -2.257517      2.699761  0.2475715      2.455722  -12.00661      48.56203 
1 1 1 16  10  26 o 97.23801 34.43836 2.185980       2.764598  2.590940       2.458426  -2.583481      56.21879 
1 1 1 16  10  27 o 137.9934 30.86700 4.360144       2.729246  5.588641       2.445917  -18.42131      57.15611 
1 1 1 16  10  28 f 186.3317 23.09917 7.076156       2.753448  9.796892       2.491700  -40.23320      50.87569 
1 1 1 16  10  29 o 72.53702 31.10339 -0.5288428     2.618096  1.757739       2.403820  -14.80859      50.14954 
1 1 1 16  11  0  o 353.0874 22.42536 25.67132       4.779499  30.75934       5.000785  -32.67911      45.85059 
1 1 1 16  11  1  o 165.9556 40.17056 6.793159       4.134786  6.554341       4.047616  2.606750       72.43198 
1 1 1 16  11  2  o 262.2088 27.83058 15.18604       4.493168  16.08973       4.423043  -8.525848      57.91450 
1 1 1 16  11  3  o 525.2830 19.08060 65.64974       6.345580  57.26133       6.077060  36.12958       38.48695 
1 1 1 16  11  4  o 498.3775 19.25100 57.11887       5.969811  53.12788       5.911277  18.30585       38.82122 
1 1 1 16  11  5  o 418.5267 21.79481 38.61946       5.555189  39.33294       5.726493  -3.566284      44.08764 
1 1 1 16  11  6  o 280.2023 26.01107 17.35989       4.455330  17.90153       4.483816  -4.461670      53.47577 
1 1 1 16  11  7  o 131.1319 42.83986 4.832334       4.038568  2.845714       3.978984  19.13498       71.41280 
1 1 1 16  11  8  o 326.5949 22.93909 23.30900       4.685547  24.24330       4.552826  -6.986084      46.70162 
1 1 1 16  11  9  o 217.9392 32.16603 11.98275       4.234414  9.799122       4.201884  22.91965       65.50827 
1 1 1 16  11  10 o 257.4287 27.81900 11.60971       4.496692  17.97986       4.256930  -59.87190      59.60747 
1 1 1 16  11  11 o 352.4565 21.81697 23.67107       4.792423  31.51530       4.702057  -52.03033      44.94811 
1 1 1 16  11  12 o 144.4906 41.29089 2.048340       3.959743  7.548923       3.815467  -54.89283      68.45416 
1 1 1 16  11  13 o 117.2613 41.72674 7.388683       4.035592  -0.9463707     3.632443  78.59763       65.93436 
1 1 1 16  11  14 o 86.36013 37.32109 -2.572826      3.776623  1.981623       3.553046  -27.64891      62.27325 
1 1 1 16  11  15 o 290.7551 28.15264 19.65780       4.199318  17.73312       6.616857  25.24118       66.81131 
1 1 1 16  11  16 o 488.1295 19.20681 59.37443       5.943092  47.03535       5.675000  57.55392       38.85171 
1 1 1 16  11  17 o 208.3230 43.27227 10.45846       3.824727  0.000000       0.000000  ?              ?        
1 1 1 16  11  18 o 420.2586 17.64358 39.79448       4.554487  38.79011       4.625052  5.701416       35.65124 
1 1 1 16  11  19 o 243.0899 34.93972 16.20268       4.991306  11.45501       5.253782  46.86111       72.63449 
1 1 1 16  11  20 o 458.3505 23.02069 53.68961       6.640600  41.94799       6.414074  58.64767       47.25523 
1 1 1 16  11  21 o 244.4679 27.39506 13.51432       3.514912  14.84796       5.062050  -0.5054779     61.24984 
1 1 1 16  11  22 o 247.6575 32.33693 12.10102       4.695176  17.93204       5.019645  -52.99243      68.63673 
1 1 1 16  11  23 o 217.9355 26.49230 10.10127       3.429154  12.71799       3.592573  -27.17213      56.47236 
1 1 1 16  11  24 o 111.6154 37.25915 6.984367       3.135137  -0.1154504     2.929037  72.47535       58.08782 
1 1 1 16  11  25 o 200.3558 24.66111 10.21914       3.137331  9.199328       2.879976  8.928635       52.79356 
1 1 1 16  11  26 o 272.4196 18.96262 17.12422       3.290074  17.51958       3.088371  -5.847260      39.76299 
1 1 1 16  11  27 o 137.6838 31.82547 5.698991       2.749480  4.578055       2.585519  13.16750       58.61396 
1 1 1 16  11  28 o 72.03387 31.50887 3.166929       2.761422  -1.931489      2.596735  37.25304       51.73188 
1 1 1 16  11  29 o 66.21739 29.97045 -1.276821      2.738960  0.9083660      2.554293  -11.31003      49.05262 
1 1 1 16  12  0  o 246.3294 32.12642 15.04298       4.766063  13.43344       4.818693  15.90169       67.44952 
1 1 1 16  12  1  o 143.0258 44.26073 4.030493       4.249879  5.988127       4.408543  -18.72745      74.46143 
1 1 1 16  12  2  o 196.1089 37.53407 7.385819       4.358737  11.03936       4.441977  -38.38177      72.02531 
1 1 1 16  12  3  o 264.3192 28.75119 14.03082       4.534930  18.05058       4.748967  -35.14098      60.05169 
1 1 1 16  12  4  f 393.6369 21.73893 33.67382       5.160012  35.63476       5.425196  -10.79266      44.09212 
1 1 1 16  12  5  o 269.0316 28.77118 14.26294       4.598151  18.85743       4.867419  -39.36317      59.91438 
1 1 1 16  12  6  o 330.6496 25.01542 24.38486       5.019064  24.64179       5.169926  -1.360901      51.10082 
1 1 1 16  12  7  o 296.8143 29.13971 19.28895       5.216343  20.56305       5.379684  -9.569885      60.22469 
1 1 1 16  12  8  o 386.3777 21.25566 26.69467       4.763263  41.72482       5.456957  -87.60617      43.21452 
1 1 1 16  12  9  f 303.2393 24.41305 16.66290       4.382755  25.17603       4.745782  -64.45847      50.49487 
1 1 1 16  12  10 f 154.6106 41.91949 9.700181       4.231469  1.997119       4.018080  78.03274       69.11197 
1 1 1 16  12  11 o 199.6816 34.71660 11.22115       4.164302  7.298602       4.124389  42.47261       67.98592 
1 1 1 16  12  12 o 228.2527 29.90634 9.790110       4.084620  14.04831       4.182473  -43.32123      61.88696 
1 1 1 16  12  13 o 302.5656 23.46364 22.07869       4.416362  18.95478       4.323988  23.84735       47.99686 
1 1 1 16  12  14 o 481.7423 19.16427 42.90385       5.605111  60.79791       5.832726  -85.05548      39.03179 
1 1 1 16  12  15 o 440.7827 28.57589 43.83372       5.495138  0.000000       0.000000  ?              ?        
1 1 1 16  12  16 f 102.8955 40.39021 -2.214246      3.711996  5.623112       3.818683  -64.06062      64.63153 
1 1 1 16  12  17 o 248.9050 26.18922 11.79421       3.916649  16.55622       4.053102  -44.81351      54.95676 
1 1 1 16  12  18 o 151.4710 38.77909 8.450954       3.703965  2.826635       3.615474  61.11623       66.05477 
1 1 1 16  12  19 o 188.5915 34.27135 7.716796       3.785903  9.339938       3.942183  -17.79196      67.31579 
1 1 1 16  12  20 f 306.3724 28.35694 21.31864       5.225686  22.31884       5.436717  -6.306366      59.52334 
1 1 1 16  12  21 o 114.0142 44.32501 3.013539       4.438250  2.204056       4.559704  4.845177       72.16478 
1 1 1 16  12  22 o 183.9754 39.13824 8.961157       3.598331  7.983629       5.824112  19.18097       75.75255 
1 1 1 16  12  23 o 119.9632 48.04350 6.269721       5.479794  0.7493568      5.376404  31.98852       76.74519 
1 1 1 16  12  24 o 106.5209 38.15310 3.878483       3.332652  1.928265       3.077317  19.13100       62.28772 
1 1 1 16  12  25 o 122.0180 38.00151 5.731240       3.106167  2.302942       3.268065  34.56934       62.32148 
1 1 1 16  12  26 o 252.1018 22.04519 13.54535       3.311838  17.13911       3.523736  -31.63803      47.29094 
1 1 1 16  12  27 o 148.9897 34.02032 7.781576       3.208124  4.753118       2.957021  33.62978       62.44460 
1 1 1 16  12  28 f 174.5162 29.37678 7.715984       3.143728  8.499507       2.996325  -12.65196      60.94966 
1 1 1 16  12  29 o 102.9489 37.63333 2.991498       3.504968  3.492805       2.856094  -3.935226      59.91011 
1 1 1 16  13  0  o 101.6788 46.47517 0.2572007      6.842363  -3.096856      6.293607  17.56351       78.01134 
1 1 1 16  13  1  o 194.4809 38.91162 9.689378       4.537941  8.800259       4.522680  9.217407       74.63239 
1 1 1 16  13  2  o 251.5748 30.67857 13.81528       4.636654  15.64069       4.742555  -16.66380      64.36737 
1 1 1 16  13  3  o 93.06477 40.08091 2.035911       4.200954  -1.792573      4.184778  24.15795       66.76799 
1 1 1 16  13  4  o 147.9887 52.93591 0.000000       0.000000  4.885866       4.350782  ?              ?        
1 1 1 16  13  5  o 349.8683 23.79721 28.20587       5.110823  26.77494       5.157459  9.703247       48.58429 
1 1 1 16  13  6  o 186.6062 38.89767 10.43795       4.372400  6.140986       4.340714  45.17384       72.20972 
1 1 1 16  13  7  o 164.1971 42.37996 9.778214       4.405154  3.314440       4.288709  64.70973       72.16489 
1 1 1 16  13  8  o 122.9481 50.36318 0.000000       0.000000  1.676268       4.327344  ?              ?        
1 1 1 16  13  9  f 424.2199 22.81986 31.28461       5.695933  51.04681       6.318357  -105.7318      46.81350 
1 1 1 16  13  10 o 264.2627 48.32256 16.70052       5.394934  0.000000       0.000000  ?              ?        
1 1 1 16  13  11 o 72.64710 35.25074 -2.972411      5.207228  -7.916453      4.756249  23.62446       63.61735 
1 1 1 16  13  12 o 91.84766 41.92763 7.597023       5.599357  -10.01002      5.060093  97.92309       72.40317 
1 1 1 16  13  13 o 473.9813 21.11598 53.69326       6.376527  46.73849       6.024351  32.97501       42.68070 
1 1 1 16  13  14 o 206.8770 47.86153 3.826412       7.960879  13.06550       5.037423  -66.40302      85.00530 
1 1 1 16  13  15 o 114.9031 46.10795 2.776572       4.232805  -0.4204201     6.469222  -1.149002      76.91605 
1 1 1 16  13  16 o 204.1508 34.20451 12.85054       4.290623  7.011775       4.074801  61.75441       67.30962 
1 1 1 16  13  17 o 234.6901 29.63459 11.58354       4.183775  13.89994       4.253673  -23.02324      61.86092 
1 1 1 16  13  18 o 328.3218 22.48561 21.68712       4.472725  27.21457       4.635395  -38.66232      46.22487 
1 1 1 16  13  19 o 84.09332 36.94894 0.6036357      3.674973  -1.175529      3.758221  10.05083       61.76178 
1 1 1 16  13  20 o 259.0600 24.62132 16.03231       3.851892  14.87358       3.969030  11.56073       51.63749 
1 1 1 16  13  21 o 348.2283 23.17812 28.94771       5.776348  27.26398       4.439880  1.657349       49.62435 
1 1 1 16  13  22 o 86.12872 39.71434 -1.888281      4.599865  -0.7227786     5.341049  -11.60299      66.71998 
1 1 1 16  13  23 o 79.50694 35.09647 -0.8302821     3.181078  1.199242       3.644209  -17.25224      58.39621 
1 1 1 16  13  24 o 91.30444 42.29305 -4.719281      5.834344  2.294986       5.544451  -23.93046      69.66770 
1 1 1 16  13  25 o 123.6568 44.77369 11.17986       7.242378  3.016038       3.462103  48.19480       79.03484 
1 1 1 16  13  26 o 138.0872 38.88137 4.941763       3.575900  6.188239       3.375052  -13.64211      66.45602 
1 1 1 16  13  27 o 188.8276 33.51470 13.01266       3.718524  6.265283       3.848683  75.63298       65.03889 
1 1 1 16  13  28 o 122.5168 40.18404 6.717799       3.784914  3.527968       3.312662  25.37431       65.41684 
1 1 1 16  13  29 o 86.00917 35.83852 4.337224       3.493470  0.1265247      2.924623  30.03701       57.57010 
1 1 1 16  14  0  o 97.69363 45.05440 -0.7935944     6.439855  -2.995167      6.259130  9.861885       75.54478 
1 1 1 16  14  1  o 98.16942 45.19396 -0.3336534E-02 6.465078  -3.683289      6.235346  16.15464       75.97195 
1 1 1 16  14  2  o 236.5535 31.78923 13.89068       4.552979  12.47305       4.540552  14.10884       66.55692 
1 1 1 16  14  3  o 238.8103 32.33197 17.80447       4.758673  9.293351       4.579875  81.83455       67.29877 
1 1 1 16  14  4  o 106.2852 42.44136 0.8115633      4.157038  2.594817       4.291891  -14.13797      69.80335 
1 1 1 16  14  5  o 110.3068 42.96704 2.000504       4.164015  2.078242       4.305189  -1.899078      70.66080 
1 1 1 16  14  6  o 403.3710 21.93047 39.40242       5.475417  33.51955       5.458203  33.80627       44.70266 
1 1 1 16  14  7  o 165.0584 43.10551 4.252806       4.375537  9.156382       4.551024  -48.73148      74.50353 
1 1 1 16  14  8  o 81.96427 37.43842 -0.3816752     4.189779  -3.088958      4.295122  12.80228       63.95146 
1 1 1 16  14  9  o 284.3961 27.48853 16.73705       4.726305  20.03684       4.854387  -26.95615      57.07524 
1 1 1 16  14  10 o 289.4411 27.04398 19.75485       4.827390  18.19846       4.771961  12.49612       55.92044 
1 1 1 16  14  11 o 112.4020 43.77020 4.877118       4.625072  -0.3021401     4.190129  43.00206       71.92295 
1 1 1 16  14  12 o 163.2735 45.04990 7.689362       4.575221  5.054148       4.860119  23.94507       77.64506 
1 1 1 16  14  13 o 170.3930 48.92461 4.555199       4.585273  13.19103       7.079252  -77.51054      86.02424 
1 1 1 16  14  14 o 338.3260 35.89224 0.000000       0.000000  26.57473       5.245279  ?              ?        
1 1 1 16  14  15 f 378.7751 26.34006 32.98306       5.205340  31.40695       7.914097  22.44507       60.98612 
1 1 1 16  14  16 o 180.3825 38.92984 6.361155       4.150245  9.508252       4.310597  -33.34514      72.18461 
1 1 1 16  14  17 o 258.6469 28.84064 14.19808       4.493367  16.77175       4.606071  -23.12482      60.57008 
1 1 1 16  14  18 o 95.45788 39.94606 4.725269       3.954508  -3.129316      3.975726  53.62521       65.04375 
1 1 1 16  14  19 o 148.1310 40.54206 7.050578       3.669887  3.712152       4.020350  33.64389       69.34238 
1 1 1 16  14  20 o 315.7109 21.46250 24.05664       4.099141  21.33649       4.262161  21.37424       44.48067 
1 1 1 16  14  21 o 87.31691 37.21858 0.5448626      3.427506  0.6504618      3.680303  -3.327477      61.32243 
1 1 1 16  14  22 o 156.0255 40.07138 7.436765       3.864820  5.647469       3.932811  18.72203       70.81126 
1 1 1 16  14  23 o 142.0357 45.54269 1.205078       4.386833  11.20159       4.717093  -81.57134      71.87161 
1 1 1 16  14  24 o 101.9443 40.90784 4.397401       3.661122  -0.5548620     4.301875  28.98242       64.87823 
1 1 1 16  14  25 o 150.0042 59.33700 17.55484       7.732260  -1.367487      8.715171  75.97537       88.68957 
1 1 1 16  14  26 o 90.01563 40.68309 6.306621       8.082048  -0.3707362     3.784666  36.61645       70.64417 
1 1 1 16  14  27 o 194.9194 31.84903 14.11383       3.940487  7.196302       3.529532  70.40979       64.87046 
1 1 1 16  14  28 o 77.05786 34.28988 0.2978036      3.450569  1.048845       3.167335  -2.272491      54.82901 
1 1 1 16  14  29 o 122.9052 41.50822 4.606824       3.787593  6.168166       3.724673  -12.38401      65.92036 
1 1 1 16  15  0  o 110.8003 47.47744 2.841535       5.813877  -0.2848403     5.840472  15.41732       77.44314 
1 1 1 16  15  1  o 103.2556 42.52668 0.8437213      4.359675  2.163875       4.429296  -9.131577      69.58292 
1 1 1 16  15  2  o 137.6577 53.37725 5.067677       6.422150  3.646551       6.600207  7.296799       86.15737 
1 1 1 16  15  3  o 117.7207 47.26911 2.818580       6.297487  2.128797       4.620188  15.89333       78.34776 
1 1 1 16  15  4  o 415.2466 22.46899 45.32950       5.886823  33.15641       5.652586  67.28586       46.26799 
1 1 1 16  15  5  o 194.9889 38.22543 7.334729       4.385676  11.23438       4.534515  -40.32858      72.95569 
1 1 1 16  15  6  o 101.1614 41.71144 1.179332       4.068777  1.015294       4.420163  -2.490265      68.89455 
1 1 1 16  15  7  o 152.2481 44.19470 3.212133       4.264641  8.530326       4.590607  -51.30046      74.25762 
1 1 1 16  15  8  o 319.7864 25.77093 22.80672       4.951818  23.61002       5.194750  -4.821320      53.09270 
1 1 1 16  15  9  o 419.4538 21.57313 41.46358       5.581063  37.34682       5.607796  22.85233       43.87474 
1 1 1 16  15  10 o 199.2458 37.09533 11.29036       4.422877  7.589176       4.409499  38.99649       71.72557 
1 1 1 16  15  11 o 199.0377 39.22630 8.552915       4.835870  10.31539       4.521689  -18.79565      75.23000 
1 1 1 16  15  12 o 314.5880 26.92816 22.62126       5.113539  22.36291       5.300318  2.816681       55.69234 
1 1 1 16  15  13 o 117.9909 44.42495 4.536807       4.353384  0.6986505      4.496489  28.11959       72.42831 
1 1 1 16  15  14 o 271.0490 42.24761 0.000000       0.000000  17.70969       4.859169  ?              ?        
1 1 1 16  15  15 o 208.1835 35.15179 12.04914       4.288280  8.389564       4.473698  39.41441       70.10262 
1 1 1 16  15  16 o 325.0838 23.72818 26.86829       4.742263  21.07536       4.761765  42.10461       49.31226 
1 1 1 16  15  17 o 189.7826 36.45005 8.435288       4.020849  9.100729       4.259867  -6.298416      70.83145 
1 1 1 16  15  18 o 92.65414 40.93816 1.067061       3.923030  -3.257780      5.906664  1.560043       68.51633 
1 1 1 16  15  19 o 355.4672 22.43894 33.31099       4.856019  24.23443       4.992041  61.38174       47.31938 
1 1 1 16  15  20 o 93.70227 40.34584 0.7639003      4.076583  0.3938532      4.439624  -1.152359      66.37428 
1 1 1 16  15  21 o 170.3206 42.39055 5.637197       4.290972  10.41406       4.652753  -44.92892      75.07317 
1 1 1 16  15  22 o 128.1169 45.35771 0.7818903      4.245623  9.559547       4.822157  -67.70056      72.36567 
1 1 1 16  15  23 o 117.8690 43.25226 0.7623479      3.968751  7.321246       4.340354  -51.07567      69.22755 
1 1 1 16  15  24 o 92.35575 40.56347 -3.259550      4.462512  5.217355       4.486566  -43.86490      65.82056 
1 1 1 16  15  25 o 92.88091 40.47035 2.963506       4.514150  0.5066779E-01  4.250897  16.11766       64.81240 
1 1 1 16  15  26 o 99.96431 48.63922 5.431425       9.661830  -6.389535      9.600156  19.09937       75.72604 
1 1 1 16  15  27 o 111.7845 52.98854 2.720992       8.929352  7.055811       11.10464  -7.991142      79.00053 
1 1 1 16  15  28 o 106.3431 40.39548 5.305951       3.868618  2.668463       3.509682  17.71190       63.35219 
1 1 1 16  15  29 o 109.7584 39.92280 7.826324       3.617148  1.173870       3.425498  49.05086       62.04376 
1 1 1 16  16  0  o 102.2613 42.50215 3.331350       4.499641  -0.1595927     4.390519  22.52706       69.22758 
1 1 1 16  16  1  o 128.1500 50.52074 2.729122       5.762188  4.732649       6.072994  -13.01225      81.56596 
1 1 1 16  16  2  o 203.7393 51.36632 14.17010       6.458751  8.454898       6.520119  45.80807       90.44414 
1 1 1 16  16  3  o 172.2646 53.76412 7.782744       6.358397  8.774087       6.380933  -7.115219      89.72935 
1 1 1 16  16  4  o 174.7065 54.69324 6.100303       6.372514  10.99498       6.823476  -34.86287      91.04834 
1 1 1 16  16  5  o 94.90054 40.21399 -3.460057      3.960743  5.383468       4.253838  -62.00264      66.14186 
1 1 1 16  16  6  o 306.3607 25.18542 18.00709       4.508395  25.76863       5.021017  -56.70081      52.41235 
1 1 1 16  16  7  o 133.7455 43.56765 5.268679       3.965715  3.158868       4.356318  16.96040       72.25821 
1 1 1 16  16  8  o 387.6988 21.98963 31.28706       5.090313  36.91129       5.462948  -32.12662      44.84942 
1 1 1 16  16  9  o 104.7088 41.50113 0.4077483      4.024506  3.003928       3.993062  -19.07875      68.02625 
1 1 1 16  16  10 o 145.9388 42.84890 3.602741       4.039117  7.004874       4.233430  -33.75717      72.50011 
1 1 1 16  16  11 o 166.0539 40.40069 4.736928       4.139512  8.758400       4.103334  -41.97424      71.50471 
1 1 1 16  16  12 o 158.8408 42.66210 5.646030       4.285018  6.845170       4.299486  -11.97743      74.51140 
1 1 1 16  16  13 o 270.0543 28.98797 17.73869       4.718610  15.91165       4.844165  17.03896       61.04448 
1 1 1 16  16  14 o 153.3929 48.90051 11.67131       6.492764  3.098250       4.516411  73.99313       83.09803 
1 1 1 16  16  15 o 83.24268 38.25732 -3.370275      4.541362  -0.1767045     4.501844  -14.93866      65.04706 
1 1 1 16  16  16 o 128.0556 46.46515 4.455500       4.651719  2.992068       4.877856  9.700256       75.95334 
1 1 1 16  16  17 o 307.1080 28.50772 23.12427       5.318049  20.88938       5.421192  18.38385       60.28053 
1 1 1 16  16  18 o 237.7307 35.20799 14.94549       4.974128  12.61852       5.098896  23.93320       73.65959 
1 1 1 16  16  19 o 171.7525 45.56170 6.992826       4.799972  8.992413       5.078579  -17.48810      79.92925 
1 1 1 16  16  20 o 246.9556 34.54959 13.20015       5.007938  17.46670       5.300692  -37.53824      73.59725 
1 1 1 16  16  21 o 75.67845 35.87878 -4.963634      4.385294  0.3789460      4.657173  -23.62327      61.34398 
1 1 1 16  16  22 o 116.3874 48.78884 2.906028       4.483634  4.766391       11.84915  -24.01019      83.49673 
1 1 1 16  16  23 o 163.2110 45.29493 8.808922       4.565299  6.923335       4.952954  18.34805       77.60763 
1 1 1 16  16  24 o 190.3970 40.89999 7.190924       4.600438  14.04403       4.777477  -63.20151      75.40713 
1 1 1 16  16  25 o 103.9060 43.20526 4.095562       4.915715  2.131785       4.330334  11.78715       68.02490 
1 1 1 16  16  26 o 88.32805 39.32279 4.510530       4.485721  -1.579626      4.216144  29.42805       62.95961 
1 1 1 16  16  27 o 77.94214 38.20351 -2.994170      4.430832  0.000000       0.000000  ?              ?        
1 1 1 16  16  28 o 105.3861 50.67119 0.1981793      9.518262  10.90922       9.893526  -15.82040      74.12012 
1 1 1 16  16  29 o 64.64684 31.52860 -1.029192      4.259136  -3.295780      3.981130  8.137039       51.74203 
1 1 1 16  17  0  o 91.58830 41.10668 1.125544       4.791909  -1.602110      4.913292  11.90416       67.69090 
1 1 1 16  17  1  o 167.0727 46.17276 5.105354       4.807100  10.60855       5.094469  -47.70491      78.76170 
1 1 1 16  17  2  o 87.58132 39.68150 3.112828       4.720747  -4.497644      4.574165  38.93860       66.74515 
1 1 1 16  17  3  f 341.3248 35.16604 32.29078       7.392473  24.58107       7.287250  54.73026       77.01524 
1 1 1 16  17  4  o 128.4556 46.95708 7.907179       4.868768  0.9140743E-01  4.881039  56.42111       74.78815 
1 1 1 16  17  5  o 244.8077 58.98601 13.13264       8.653824  21.92548       9.062548  -57.18481      105.8065 
1 1 1 16  17  6  o 175.2705 61.26247 9.950746       7.903146  7.356947       8.537934  13.89766       99.11751 
1 1 1 16  17  7  o 187.2742 42.87831 10.39653       4.792466  7.314197       4.958892  30.38229       78.34218 
1 1 1 16  17  8  o 154.5288 45.89719 6.498461       4.649724  5.698014       4.792095  6.886368       77.96028 
1 1 1 16  17  9  o 217.5574 37.48581 16.73693       4.924871  6.507917       4.829196  98.84248       71.86163 
1 1 1 16  17  10 o 215.5844 37.16321 13.86535       4.688230  8.471016       4.899705  55.28835       73.56669 
1 1 1 16  17  11 o 193.1816 41.20304 12.26428       4.795579  6.352101       4.778113  58.31042       75.66102 
1 1 1 16  17  12 o 111.1654 44.68753 4.462698       4.991251  -0.1915503E-02 4.478564  33.81316       73.39803 
1 1 1 16  17  13 o 126.8651 47.25566 4.152791       5.033854  2.987227       4.922128  8.967331       77.15945 
1 1 1 16  17  14 o 209.3755 42.28941 7.794266       5.222182  14.48134       5.388124  -62.40594      79.37427 
1 1 1 16  17  15 o 111.7429 45.63860 1.297455       5.078866  2.580423       4.938299  -6.789856      74.44045 
1 1 1 16  17  16 o 275.3501 32.47945 16.69688       5.345738  19.71860       5.541623  -24.78374      69.47527 
1 1 1 16  17  17 o 122.6452 46.16711 4.248845       4.739321  2.664057       4.814231  10.75918       74.93525 
1 1 1 16  17  18 o 88.00396 40.16110 -1.845816      4.807787  -0.2612143     4.927758  -8.322334      67.07280 
1 1 1 16  17  19 o 129.9438 46.95200 7.595073       4.916533  1.538517       4.794645  43.85539       75.30082 
1 1 1 16  17  20 o 127.3551 47.27819 7.025919       5.032043  2.109179       4.917564  33.14252       75.56316 
1 1 1 16  17  21 o 159.3768 47.04249 5.747886       4.891291  9.574909       5.053367  -30.69817      78.92127 
1 1 1 16  17  22 o 254.4516 35.49337 18.04290       5.480234  15.91091       5.420422  19.19560       77.59728 
1 1 1 16  17  23 o 108.3314 44.43600 8.756674       4.723383  -2.931077      4.822727  66.38567       69.47669 
1 1 1 16  17  24 o 116.7808 45.69580 3.419834       4.703263  5.371107       4.914139  -11.47536      71.61156 
1 1 1 16  17  25 o 101.7063 45.94843 1.927675       4.655160  7.615554       12.60692  -18.77856      74.68989 
1 1 1 16  17  26 o 109.0613 43.80742 6.176252       4.594144  2.001246       4.461767  23.23112       67.93888 
1 1 1 16  17  27 o 86.24435 39.22345 2.808866       4.670516  0.2125480      4.517100  10.32670       61.13615 
1 1 1 16  17  28 o 82.76894 38.00539 4.624701       4.674930  -1.629953      4.251781  24.70143       60.09125 
1 1 1 16  18  0  f 92.61562 42.05550 -2.294497      5.101313  1.526706       5.420192  -18.95072      69.57853 
1 1 1 16  18  1  o 132.0517 49.19135 2.425219       5.262128  7.375381       5.534881  -32.46497      78.88239 
1 1 1 16  18  2  o 88.27657 40.67556 -4.703612      5.089027  2.346675       5.228735  -30.96910      68.27845 
1 1 1 16  18  3  o 98.17588 42.95701 -1.079352      4.950872  2.224862       5.001161  -17.23333      70.38982 
1 1 1 16  18  4  o 147.0403 53.33929 6.245739       6.234221  5.635111       6.312570  3.618073       86.07188 
1 1 1 16  18  5  o 213.5191 64.96603 14.37515       6.626930  0.000000       0.000000  ?              ?        
1 1 1 16  18  6  f 114.9326 47.75943 3.011291       5.266716  1.133162       6.030413  5.386749       77.31125 
1 1 1 16  18  7  o 146.3696 62.34414 2.978718       9.927747  6.640895       9.952764  -12.89417      98.63612 
1 1 1 16  18  8  o 89.43493 41.15939 -1.573858      5.305732  -1.629777      5.212279  1.103287       69.05136 
1 1 1 16  18  9  o 100.7295 44.05564 0.2934958      5.146953  0.3453034      5.314497  -1.668335      72.61857 
1 1 1 16  18  10 o 87.55949 40.48801 -1.010013      5.021423  -3.007457      5.344967  5.275337       68.31034 
1 1 1 16  18  11 o 132.2063 48.66302 5.003951       4.965794  3.112847       5.588889  10.01443       79.06430 
1 1 1 16  18  12 o 104.8478 45.20785 3.058769       5.284492  -1.610138      5.409778  23.38514       74.14528 
1 1 1 16  18  13 o 169.6413 48.56871 11.10002       5.394748  4.410022       5.347895  55.67865       81.28371 
1 1 1 16  18  14 o 192.6585 46.40579 10.31917       5.580885  9.408837       5.383730  7.392410       84.21711 
1 1 1 16  18  15 o 107.3929 45.51406 0.7970822      5.243444  1.994059       5.261620  -6.618515      74.21638 
1 1 1 16  18  16 o 107.1722 44.92310 0.3440183      5.031734  2.962623       5.023107  -14.76574      73.01740 
1 1 1 16  18  17 o 94.94815 42.51756 -3.423725      5.116706  3.228675       5.200282  -31.91058      70.35083 
1 1 1 16  18  18 o 110.1710 48.99231 0.4475544      5.099983  5.692937       13.15684  -42.06413      87.36058 
1 1 1 16  18  19 o 111.9540 46.05114 1.976188       5.004492  3.701598       5.296054  -10.76899      73.67754 
1 1 1 16  18  20 o 99.12278 43.24784 7.795841       4.990254  -5.476242      5.034520  67.08229       69.86025 
1 1 1 16  18  21 o 119.0849 46.36599 4.088606       4.818816  3.734040       5.043458  1.613380       73.71691 
1 1 1 16  18  22 o 94.52769 41.62543 -1.007731      4.802078  3.231561       4.680483  -19.47979      66.76550 
1 1 1 16  18  23 o 121.9485 46.34171 3.238098       4.880671  6.424238       4.798645  -19.41116      72.63010 
1 1 1 16  18  24 o 133.6560 47.62554 8.436669       4.928687  4.502192       5.023838  24.99174       74.39706 
1 1 1 16  18  25 o 83.15813 38.56398 -3.131995      4.756114  3.571698       4.736444  -24.50166      61.91961 
1 1 1 16  18  26 o 94.31485 41.82267 1.966674       5.080486  2.809798       4.676600  -2.588509      64.49110 
1 1 1 16  18  27 o 74.08398 35.33096 -2.929503      4.510002  1.606973       4.509662  -14.04295      56.61506 
1 1 1 16  18  28 o 94.11774 40.66864 2.005627       4.562701  4.422456       4.155131  -10.50106      61.38417 
1 1 1 16  19  0  o 110.0702 46.88288 5.938086       5.704616  -1.220218      5.541462  35.79552       75.23479 
1 1 1 16  19  1  o 98.58674 46.32226 -0.3799786     5.631146  -8.478906      12.12437  -12.90204      78.17120 
1 1 1 16  19  2  f 106.9212 46.20640 -0.4934497     5.476058  3.857129       5.753584  -22.32334      74.73645 
1 1 1 16  19  3  o 88.26409 41.25675 -0.5443639     5.410554  -3.327539      5.820771  6.936462       68.55213 
1 1 1 16  19  4  o 72.51025 35.54832 -5.358046      5.166602  -6.486739      5.747624  -2.299355      61.75698 
1 1 1 16  19  5  o 134.8894 50.08688 2.637870       5.344009  7.598049       5.857089  -33.04097      80.74326 
1 1 1 16  19  6  o 110.3107 48.29960 -1.383037      6.176487  3.809188       6.431210  -24.38656      78.64744 
1 1 1 16  19  7  o 120.0462 50.23132 2.588814       6.058352  2.573629       6.503266  -2.176361      80.94989 
1 1 1 16  19  8  f 212.2162 72.26875 22.57033       11.02330  8.745234       11.78874  62.47195       113.0548 
1 1 1 16  19  9  o 127.3886 59.08863 -13.98842      10.52258  17.92256       11.91018  -88.50062      99.61625 
1 1 1 16  19  10 o 114.4841 47.37513 0.6241822      5.479292  4.193980       5.496700  -19.58897      76.42567 
1 1 1 16  19  11 o 139.3285 50.14704 7.430680       5.518805  3.061222       5.543472  29.20764       80.77366 
1 1 1 16  19  12 o 112.8945 47.29174 4.211486       5.369038  -0.3089078     5.786726  21.24106       76.16514 
1 1 1 16  19  13 o 190.3393 49.31928 13.20691       5.840789  7.143135       5.899601  49.87373       85.57921 
1 1 1 16  19  14 o 268.4502 38.21309 18.83612       6.234141  17.95810       6.134968  6.513474       82.23420 
1 1 1 16  19  15 o 96.02047 43.31667 -0.8665470     5.632045  0.3687892      5.312788  -2.985626      71.05271 
1 1 1 16  19  16 o 114.5841 47.47445 8.267511       5.752110  -1.962615      5.314434  57.54768       76.37817 
1 1 1 16  19  17 o 159.7316 50.82157 11.17955       5.961049  5.054887       5.410295  42.79866       83.41573 
1 1 1 16  19  18 o 101.2668 44.19497 -0.7235993     5.220098  3.339574       5.254377  -19.51462      71.28089 
1 1 1 16  19  19 o 129.5707 48.50753 3.290700       5.142622  6.713190       5.380422  -21.79440      77.32001 
1 1 1 16  19  20 o 100.4152 43.93917 3.261757       5.045746  -0.6210465     5.383830  16.13514       70.29449 
1 1 1 16  19  21 o 84.42276 39.37142 -3.371396      4.870344  1.918213       5.266586  -22.31398      65.01471 
1 1 1 16  19  22 o 88.10413 40.55887 -0.9658400E-01 5.074178  0.2491383      5.149331  -1.688400      65.15442 
1 1 1 16  19  23 o 166.5418 57.37985 11.22094       5.440781  17.59307       14.17361  22.58543       87.75893 
1 1 1 16  19  24 o 97.21082 42.58843 -1.744898      4.905509  6.872308       4.903463  -37.51308      66.65026 
1 1 1 16  19  25 o 74.00304 35.48811 -5.087335      4.650700  2.172136       4.725207  -22.95937      58.38669 
1 1 1 16  19  26 o 93.66750 41.60660 2.470948       4.799867  3.316300       4.873831  -3.299095      63.26722 
1 1 1 16  19  27 o 88.76694 40.42582 6.863109       5.311842  -0.9930005     4.568987  28.14352       62.93553 
1 1 1 16  19  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  20  0  o 98.70360 44.82900 1.964451       5.873823  -1.531543      6.077341  12.11676       72.41348 
1 1 1 16  20  1  o 104.4689 46.12135 6.043043       5.567747  -4.507463      6.191041  41.45453       73.84986 
1 1 1 16  20  2  o 98.74257 44.73096 -1.308228      5.650103  2.172742       6.187004  -16.51427      72.74516 
1 1 1 16  20  3  o 151.5067 52.33152 10.50321       5.834446  3.276410       6.129112  46.46172       83.09842 
1 1 1 16  20  4  o 85.43900 40.51788 -3.699269      5.441674  -1.241130      6.156779  -13.35100      68.04327 
1 1 1 16  20  5  o 157.5497 52.60740 7.920389       5.696422  7.409721       6.439938  4.477615       85.46346 
1 1 1 16  20  6  o 115.2834 48.44228 2.352503       5.517984  3.014663       6.295027  -6.668243      77.70044 
1 1 1 16  20  7  o 99.37816 45.02051 3.931943       5.742052  -5.016659      6.244709  32.30895       73.61089 
1 1 1 16  20  8  o 92.28239 44.08282 -0.1794887     6.608531  -8.519181      7.674767  15.90321       73.69167 
1 1 1 16  20  9  o 137.1316 55.74088 4.373967       6.880499  5.635087       8.126893  -8.725143      88.62679 
1 1 1 16  20  10 o 150.7477 66.91222 2.791093       11.82284  10.35221       13.27423  -20.64224      103.8281 
1 1 1 16  20  11 o 166.2393 69.52020 19.97071       11.36237  -2.913721      12.75302  68.17458       105.8806 
1 1 1 16  20  12 o 114.0789 48.93411 -0.5758683     5.668591  6.142892       6.922219  -36.78122      80.00731 
1 1 1 16  20  13 o 104.3741 46.96656 1.161752       6.109998  -0.5746174     6.687319  3.422638       76.15537 
1 1 1 16  20  14 o 101.2569 46.33627 -0.6763332     6.225141  0.7339967E-01  6.900350  -6.519524      75.57789 
1 1 1 16  20  15 o 124.9406 51.39244 0.2806417E-01  6.012656  9.038311       6.889429  -46.47034      82.40726 
1 1 1 16  20  16 o 99.18562 45.95634 -2.182678      5.976055  1.581247       7.829437  -21.91399      76.14570 
1 1 1 16  20  17 o 116.4597 49.66165 7.328003       6.066231  -2.206593      6.608929  39.94354       78.36298 
1 1 1 16  20  18 o 129.8351 51.34301 4.183764       5.771161  6.271946       6.546982  -11.56838      80.97081 
1 1 1 16  20  19 o 162.2682 54.00674 6.990950       5.945659  12.10341       6.875936  -27.13850      87.02669 
1 1 1 16  20  20 o 87.47425 41.33766 -4.004316      5.556584  2.151473       6.322551  -23.08510      68.11274 
1 1 1 16  20  21 o 95.40541 43.54691 0.3116643      5.429077  1.880065       6.075917  -7.925201      69.05804 
1 1 1 16  20  22 o 113.6740 47.63700 6.761442       5.558588  2.093253       5.748437  20.32741       72.95264 
1 1 1 16  20  23 o 107.5148 45.49468 4.379353       5.129241  3.703554       5.346275  2.901947       69.45912 
1 1 1 16  20  24 o 97.82524 43.26437 1.901765       5.029908  3.758862       5.330333  -7.698151      66.60371 
1 1 1 16  20  25 o 94.66119 42.62771 1.085719       5.006331  5.285057       5.570953  -14.82053      65.01665 
1 1 1 16  20  26 o 99.38155 46.62074 4.278585       5.503558  7.249871       14.32430  -0.8616028     68.68662 
1 1 1 16  20  27 o 83.16992 38.56254 -0.6823869     5.098701  3.791344       4.452137  -12.86282      58.63848 
1 1 1 16  21  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  21  2  f 99.27333 45.00318 -1.076519      5.665723  2.481496       6.365336  -16.94807      72.89487 
1 1 1 16  21  3  o 133.9215 52.16911 2.801523       5.742137  9.647403       6.895854  -36.32984      82.99693 
1 1 1 16  21  4  o 87.03658 41.75023 2.940311       6.068395  -11.59738      7.034229  33.88020       69.92697 
1 1 1 16  21  5  o 126.8300 52.67226 2.293626       6.448216  6.849405       7.259102  -21.99545      83.33239 
1 1 1 16  21  6  o 118.1033 51.06605 0.7702376      6.419353  6.069246       7.403363  -24.06250      81.29607 
1 1 1 16  21  7  o 179.1918 56.70825 10.68322       6.678673  11.00183       7.520802  1.877121       92.57389 
1 1 1 16  21  8  o 115.9053 50.47036 4.571679       6.602287  0.2492075      7.011065  15.68073       79.95766 
1 1 1 16  21  9  o 111.5223 49.21206 4.972497       6.275882  -2.297214      7.119977  24.44641       78.30106 
1 1 1 16  21  10 o 110.2848 50.56106 0.5420749E-01  7.423857  1.017220       8.314322  -6.501984      81.10574 
1 1 1 16  21  11 o 148.6857 58.25963 8.087552       7.375538  6.315153       8.355323  7.790726       90.72042 
1 1 1 16  21  12 f 168.5143 72.21040 5.144205       12.68304  22.95849       14.45047  -40.78076      108.3945 
1 1 1 16  21  13 o 147.3427 67.64754 11.27749       13.97144  3.789418       14.20587  13.77295       101.6108 
1 1 1 16  21  14 o 135.6845 54.26417 -0.2552551     6.522995  13.24327       7.384869  -66.12257      85.87411 
1 1 1 16  21  15 o 140.7128 55.23640 2.515135       6.726976  11.39698       7.401582  -42.46248      86.66344 
1 1 1 16  21  16 o 168.7663 58.46705 6.238172       6.506229  18.53081       9.018954  -53.10771      94.79672 
1 1 1 16  21  17 o 107.2391 48.14765 1.940349       6.234106  1.676289       7.192403  -2.245529      76.05078 
1 1 1 16  21  18 o 158.9164 55.30293 9.526662       6.283262  9.292774       7.162618  4.897903       86.77140 
1 1 1 16  21  19 o 78.39152 38.40351 0.9672660      5.977398  -11.35252      6.696562  23.83619       64.37579 
1 1 1 16  21  20 o 88.80697 42.32789 0.7035086      6.025322  -3.395911      6.988404  6.609810       67.57186 
1 1 1 16  21  21 o 108.0881 47.76101 2.505584       5.904431  5.662858       6.766249  -11.36756      73.01891 
1 1 1 16  21  22 o 86.33906 41.24302 -3.562592      5.761998  3.940441       6.752118  -21.96445      66.09168 
1 1 1 16  21  23 o 69.99123 34.86893 -7.316401      5.568099  -3.007858      6.645182  -13.18078      58.24248 
1 1 1 16  21  24 o 80.73186 39.48537 -2.982015      5.948907  1.343677       7.482337  -11.78732      62.26141 
1 1 1 16  21  25 o 98.14120 45.08680 4.981998       6.306777  3.480548       6.236541  3.893745       66.45721 
1 1 1 16  21  26 o 67.20959 33.48566 -3.274270      5.594203  -3.961279      5.547491  1.363358       53.65279 
1 1 1 16  22  3  o 88.68031 42.60772 -0.9308614     6.501822  -5.418202      7.213678  7.591103       69.89230 
1 1 1 16  22  4  o 132.9003 54.33465 4.575897       6.756576  7.347883       7.515563  -12.09591      84.33796 
1 1 1 16  22  5  o 148.1456 56.57845 5.930469       6.877993  10.60999       7.656231  -20.69388      87.88450 
1 1 1 16  22  6  f 124.7891 52.96955 1.634014       6.761718  8.163688       7.573198  -27.00419      82.98219 
1 1 1 16  22  7  o 101.8859 47.09919 -4.381564      6.437723  6.221856       7.731741  -39.56127      77.81783 
1 1 1 16  22  8  o 88.95932 42.69331 -3.113071      6.401541  -2.924868      7.316943  -5.571243      70.41949 
1 1 1 16  22  9  o 99.52686 46.21154 0.1483015      6.490641  -0.5508268     7.270010  -1.273560      74.17169 
1 1 1 16  22  10 o 88.22517 42.44279 -4.022450      6.375205  -2.028481      7.390856  -10.62471      70.21362 
1 1 1 16  22  11 o 110.9657 49.62733 0.5336130      6.632546  4.172846       7.444327  -15.04728      78.56347 
1 1 1 16  22  12 f 145.5592 58.36364 5.658679       7.436564  11.11486       8.764846  -20.30315      89.93265 
1 1 1 16  22  13 o 130.6894 55.06032 6.086004       7.108644  5.074478       8.241887  3.069794       84.64708 
1 1 1 16  22  14 o 125.9291 60.88394 4.559066       14.20014  1.722120       14.76923  3.199326       91.51719 
1 1 1 16  22  15 o 111.1377 55.03442 -6.602261      13.82360  -0.3050119     14.54704  -7.810303      85.34899 
1 1 1 16  22  16 o 108.6420 51.63848 0.8228363      6.696937  0.000000       0.000000  ?              ?        
1 1 1 16  22  17 o 74.87344 37.11543 -8.398189      6.053904  -3.366012      7.083822  -15.95203      63.02441 
1 1 1 16  22  18 o 106.0208 47.86854 4.286897       6.286187  0.7866369      7.185373  9.282249       73.75969 
1 1 1 16  22  19 o 87.98698 42.09858 -4.065929      6.070539  3.377184       7.073602  -21.95775      67.93124 
1 1 1 16  22  20 o 112.4352 49.23524 3.732717       6.033645  6.518357       7.221285  -8.920860      74.35595 
1 1 1 16  22  21 o 79.29558 38.83337 -0.6859291E-01 5.937603  -7.035158      7.074804  9.369560       62.48088 
1 1 1 16  22  22 o 92.43706 43.65085 -2.668868      6.049302  7.177235       7.224781  -26.35370      68.56191 
1 1 1 16  22  23 o 79.55811 39.40647 -2.335674      6.763290  -2.564068      7.944004  -2.442123      61.57820 
1 1 1 16  22  24 o 78.88787 39.10365 -3.544939      6.784422  -0.3413090E-01 7.755477  -7.207176      60.85012 
1 1 1 16  22  25 o 75.74535 37.55178 -1.760463      6.530096  -1.685680      6.817959  -0.7265625     58.07593 
1 1 1 16  22  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  23  5  o 98.95440 46.91019 -0.6155856     6.844347  -1.013083      9.035131  -6.555771      75.07116 
1 1 1 16  23  6  o 98.92280 46.72507 -0.2805671     6.612164  -1.335174      8.960967  -5.820602      74.91418 
1 1 1 16  23  7  o 138.5078 56.62298 3.816186       6.809452  13.78866       9.119556  -34.92106      88.19345 
1 1 1 16  23  8  o 159.2751 57.75996 12.79891       7.133956  6.936720       7.598327  29.82133       88.64878 
1 1 1 16  23  9  o 98.12057 45.77915 -6.636152      6.433459  8.369479       7.356172  -50.28443      76.04240 
1 1 1 16  23  10 o 102.7090 47.04575 4.084389       6.515284  -2.639794      7.034362  19.58921       74.61222 
1 1 1 16  23  11 o 96.58968 45.16270 -3.186181      6.390176  3.419887       7.117905  -22.47329      72.99659 
1 1 1 16  23  12 o 101.5146 46.62429 1.178312       6.382700  1.122461       7.070585  -2.047508      73.48771 
1 1 1 16  23  13 o 99.02260 46.05132 -4.195562      6.484315  6.752181       7.266866  -34.91708      74.28918 
1 1 1 16  23  14 o 154.2696 59.64922 9.401634       7.968392  12.26659       8.263082  -10.01418      89.13496 
1 1 1 16  23  15 o 155.7106 67.70411 0.000000       0.000000  16.01889       8.622917  ?              ?        
1 1 1 16  23  16 o 147.1242 64.17397 13.41905       7.799317  0.000000       0.000000  ?              ?        
1 1 1 16  23  17 o 122.8576 59.55435 17.90840       13.58846  -1.630574      14.63471  21.73232       85.98366 
1 1 1 16  23  18 o 107.0542 48.71072 4.730693       7.248459  2.518443       6.945950  6.495193       73.92725 
1 1 1 16  23  19 o 102.7427 46.71748 1.127441       6.106347  5.584857       7.006229  -14.35149      71.70007 
1 1 1 16  23  20 f 108.3562 51.14822 4.937778       6.356791  0.000000       0.000000  ?              ?        
1 1 1 16  23  21 o 89.11051 42.75197 -2.179457      6.128344  6.118124       7.814632  -19.57129      66.54687 
1 1 1 16  23  22 o 114.8769 51.60139 7.178343       7.099250  10.04385       8.384761  -3.566628      73.07935 
1 1 1 16  23  23 o 91.91069 43.99979 -2.137125      6.611163  10.07547       7.813742  -23.63892      66.63138 
1 1 1 16  23  24 o 88.74357 42.57894 0.9098099      6.574217  5.520497       6.978724  -8.680992      62.84169 
1 1 1 16  23  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  24  7  o 104.2505 47.87693 1.769483       6.680163  1.821669       7.520667  -2.226547      74.65384 
1 1 1 16  24  8  o 94.45460 44.58060 -4.904279      6.377467  5.730253       7.383576  -32.81589      72.66628 
1 1 1 16  24  9  f 102.1673 46.91507 -0.5155459     6.527412  3.973223       7.063658  -15.08981      73.72426 
1 1 1 16  24  10 o 135.0455 53.83787 4.474818       6.615509  10.49282       6.966426  -25.16810      81.93399 
1 1 1 16  24  11 o 129.8056 52.74295 8.477744       6.735310  5.059127       6.560244  13.93386       79.93654 
1 1 1 16  24  12 o 103.5683 46.82782 -0.4054995     6.210335  5.799714       6.674499  -21.30048      73.03713 
1 1 1 16  24  13 o 125.7941 51.41945 7.124585       6.206262  5.098982       6.530709  8.878479       77.96428 
1 1 1 16  24  14 f 105.6772 47.42220 3.966691       6.245463  1.929469       6.684402  5.967796       72.87838 
1 1 1 16  24  15 o 134.3860 58.88809 6.056731       14.50133  10.76991       7.460234  -17.75042      84.52859 
1 1 1 16  24  16 o 98.09286 48.27799 -0.9037075     7.310400  0.000000       0.000000  ?              ?        
1 1 1 16  24  17 o 108.4303 50.01197 7.630684       7.657512  1.148220       8.003367  15.25629       74.61417 
1 1 1 16  24  18 o 84.06643 41.91367 -6.512753      6.685802  11.76066       16.90712  -27.76939      69.64729 
1 1 1 16  24  19 o 100.1776 51.27689 2.068947       14.02145  0.000000       0.000000  ?              ?        
1 1 1 16  24  20 o 92.43098 46.29071 0.000000       0.000000  0.2714711      7.972001  ?              ?        
1 1 1 16  24  21 o 102.1906 47.47337 5.345765       7.098638  5.331159       7.392265  0.2525253      68.89624 
1 1 1 16  24  22 o 88.05566 42.67913 -1.662562      7.044761  6.460888       7.423517  -14.13139      63.92491 
1 1 1 16  24  23 o 93.89282 44.37685 0.1218758      6.843515  9.328796       6.770517  -18.44674      64.64649 
1 1 1 16  25  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  25  10 o 78.85483 38.75130 -6.101932      6.447551  -1.832615      6.720596  -9.979523      63.46218 
1 1 1 16  25  11 o 89.33925 42.92992 -0.2596965E-01 7.082715  -1.742002      6.803607  4.755379       67.82478 
1 1 1 16  25  12 o 87.56612 42.36245 0.3555691      7.415326  -3.032484      6.708571  9.482155       67.36008 
1 1 1 16  25  13 o 106.7610 48.02819 2.204016       6.476690  5.534301       6.872762  -10.46159      72.93751 
1 1 1 16  25  14 o 102.6120 46.70754 4.002272       6.449329  2.333527       6.611605  4.746704       70.94965 
1 1 1 16  25  15 o 76.70061 38.95036 0.000000       0.000000  -11.77291      6.880972  ?              ?        
1 1 1 16  25  16 o 97.05745 47.01262 1.700442       6.597535  1.621235       17.54783  -6.669044      71.82716 
1 1 1 16  25  17 o 81.74403 40.20472 -4.315340      6.545421  0.9380814      7.907490  -12.51949      63.74031 
1 1 1 16  25  18 o 83.41787 41.14238 2.333980       7.721401  -5.434188      7.566389  12.36113       64.09917 
1 1 1 16  25  19 o 88.73956 43.16439 2.735755       7.282246  -0.4986584     7.892306  4.704163       64.97778 
1 1 1 16  25  20 o 78.40152 39.09136 -1.334132      7.396024  -3.488636      7.938120  1.773895       60.28867 
1 1 1 16  25  21 o 85.93848 44.58296 0.000000       0.000000  -12.65202      17.73726  ?              ?        
1 1 1 16  26  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  26  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  26  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  26  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 16  26  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  -18 0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  -18 1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  -18 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  -17 0  o 74.79510 35.74327 -3.478806      4.304388  3.523525       5.136695  -24.28001      58.20572 
1 1 1 17  -17 1  o 98.07684 42.08438 2.321958       4.304525  4.908035       4.941988  -11.47709      64.33662 
1 1 1 17  -17 2  o 93.94398 41.63439 2.069537       4.454180  3.591599       5.281942  -6.953148      63.95512 
1 1 1 17  -17 3  o 76.56020 36.35886 -0.4703991     4.382476  -0.7150475     5.036665  -2.250412      58.04529 
1 1 1 17  -17 4  f 82.55858 38.37696 0.5736948      4.374510  0.5429233      5.224457  -3.017174      60.46921 
1 1 1 17  -17 5  o 95.84097 41.89817 0.8237861E-01  4.396278  6.495541       5.138851  -28.59403      65.57303 
1 1 1 17  -17 6  o 80.78713 37.79636 -1.202631      4.360023  2.018794       5.191038  -14.25640      60.48262 
1 1 1 17  -17 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  -16 0  o 87.50808 39.61580 2.982623       4.444626  -0.3227460E-01 4.815586  10.54719       61.55739 
1 1 1 17  -16 1  o 97.38765 44.65725 2.666167       4.322848  0.000000       0.000000  ?              ?        
1 1 1 17  -16 2  o 65.78679 32.31328 -1.974633      4.228063  -5.675890      4.977030  4.331619       53.76854 
1 1 1 17  -16 3  o 106.7581 43.62649 2.654757       4.234250  5.770816       5.022922  -16.04741      67.70506 
1 1 1 17  -16 4  o 96.52235 41.85330 1.621197       4.264595  3.991647       5.119091  -12.32690      65.38001 
1 1 1 17  -16 5  o 80.34761 37.44948 1.254438       4.260112  -1.901728      4.945668  7.776108       59.80206 
1 1 1 17  -16 6  f 91.48971 40.58599 0.4362274      4.199659  3.656495       5.106061  -16.81299      64.35922 
1 1 1 17  -16 7  o 103.1361 43.34614 2.246659       4.382378  4.613137       5.098247  -12.58887      67.59212 
1 1 1 17  -16 8  o 116.7196 45.65421 3.943538       4.528851  6.063146       5.114253  -11.06936      70.77903 
1 1 1 17  -16 9  o 99.08190 43.31530 2.994776       4.342748  1.962127       6.272331  0.7939148E-01  67.40192 
1 1 1 17  -15 0  o 78.83783 37.22033 -2.098959      4.584192  0.8145574      4.966703  -11.81169      60.27330 
1 1 1 17  -15 1  o 67.06522 32.81363 -3.780467      4.469943  -3.162472      4.657502  -3.099861      54.91745 
1 1 1 17  -15 2  o 81.72166 37.76170 1.311417       4.302061  -1.606561      4.705803  9.080200       60.61411 
1 1 1 17  -15 3  o 98.60696 42.80507 7.366069       4.818509  -2.768526      4.898520  47.24872       67.51340 
1 1 1 17  -15 4  o 72.02888 34.69351 1.532401       4.264776  -7.977209      5.014523  24.19644       57.93086 
1 1 1 17  -15 5  o 171.1526 45.44654 11.65757       4.631165  6.704329       5.235123  45.95581       76.90879 
1 1 1 17  -15 6  o 88.76431 39.75244 1.593258       4.203771  -0.1033048     4.894989  3.884392       63.46808 
1 1 1 17  -15 7  f 115.6771 45.01384 4.108135       4.278644  4.619479       5.117188  -3.237717      70.66749 
1 1 1 17  -15 8  o 66.57321 32.56713 -5.928297      4.119215  -0.4037421     4.973984  -22.93207      56.36775 
1 1 1 17  -15 9  o 91.30503 40.62445 2.781145       4.399402  -0.4918326     4.901531  12.15897       64.26797 
1 1 1 17  -15 10 o 81.61774 37.49566 0.1829156      4.145730  -0.3396946     4.558140  -0.3773956     60.55918 
1 1 1 17  -15 11 o 108.9269 43.18445 4.585931       4.294233  2.761644       4.390493  10.84753       67.56780 
1 1 1 17  -14 0  o 165.4960 44.82825 7.603426       4.441126  10.61431       5.046702  -19.08032      77.53896 
1 1 1 17  -14 1  o 101.3211 42.25716 1.450652       4.114017  4.324286       4.793417  -17.68170      67.06772 
1 1 1 17  -14 2  o 111.3035 44.39148 4.474430       4.621573  2.955866       4.606967  8.864601       69.69199 
1 1 1 17  -14 3  f 124.0003 45.75525 5.762573       4.607144  4.156255       4.685834  10.55851       72.27586 
1 1 1 17  -14 4  o 136.3076 46.55320 8.520172       4.595055  3.421943       4.867839  36.67273       73.73926 
1 1 1 17  -14 5  o 86.53497 38.96395 -0.7086536     4.161623  1.893928       4.680703  -15.09233      63.24847 
1 1 1 17  -14 6  o 95.28968 40.79566 -1.147583      3.941941  6.096282       4.765209  -43.64571      66.53989 
1 1 1 17  -14 7  o 100.3757 42.16050 2.841019       4.129033  1.705285       4.839270  3.372345       66.73968 
1 1 1 17  -14 8  o 111.6272 49.93937 0.000000       0.000000  2.972855       5.018972  ?              ?        
1 1 1 17  -14 9  o 92.61345 40.76963 4.191639       4.312070  -2.639900      4.817584  29.97436       65.10807 
1 1 1 17  -14 10 o 101.3027 42.15873 3.033895       4.014930  1.777701       4.869042  3.808083       66.67448 
1 1 1 17  -14 11 o 135.9318 45.22040 7.907959       4.181401  3.611379       4.801075  33.42978       71.84492 
1 1 1 17  -14 12 o 96.96722 41.42091 -0.1996457     4.213419  4.701431       4.637474  -27.80364      66.24094 
1 1 1 17  -14 13 o 120.3661 43.88621 3.167408       4.179204  6.219968       4.333130  -21.33792      69.60670 
1 1 1 17  -13 0  o 92.04544 40.63068 5.606023       4.440622  -3.916657      4.650827  45.49537       65.39123 
1 1 1 17  -13 1  o 124.3339 45.35101 3.757542       4.297659  5.953665       4.836902  -15.26696      72.61239 
1 1 1 17  -13 2  f 83.69707 38.07103 0.2955848      4.077605  -0.8533431     4.631451  1.049690       62.20888 
1 1 1 17  -13 3  o 72.16620 34.49632 -2.621715      4.232447  -2.490750      4.482712  -2.766891      58.15454 
1 1 1 17  -13 4  o 144.5066 54.57784 4.484098       6.886312  9.694430       6.505288  -26.85572      84.82335 
1 1 1 17  -13 5  o 141.9567 54.02021 0.2428620      6.377984  14.40189       6.805354  -74.25711      83.98357 
1 1 1 17  -13 6  o 87.14668 41.59008 -3.168272      6.243423  -1.890805      6.301826  -4.015129      68.51530 
1 1 1 17  -13 7  o 90.62427 42.90418 -2.631105      5.740295  -0.4234557     7.396010  -15.21125      70.92587 
1 1 1 17  -13 8  o 103.4780 46.07649 1.931547       5.282587  0.8596017      7.016325  -2.905441      73.54241 
1 1 1 17  -13 9  o 205.2297 53.57051 16.92478       6.389826  10.17861       7.534075  55.97639       90.59222 
1 1 1 17  -13 10 o 181.2911 56.08928 13.55573       6.233468  8.946665       7.986471  37.22276       89.63424 
1 1 1 17  -13 11 o 139.4500 52.48514 4.477777       5.691530  9.719367       6.800676  -26.83376      82.93243 
1 1 1 17  -13 12 o 100.9454 45.03385 4.061421       5.166864  -2.414634      6.526938  18.96095       71.00288 
1 1 1 17  -13 13 o 130.5300 56.73062 6.488062       6.048731  0.000000       0.000000  ?              ?        
1 1 1 17  -13 14 o 93.88127 43.63119 0.4382212      5.782853  -0.5955712     6.538733  -0.2941895E-01 69.76323 
1 1 1 17  -13 15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  -12 0  o 94.67461 43.86344 4.721506       6.040760  -6.267951      6.199619  37.50730       72.08097 
1 1 1 17  -12 1  o 123.7853 50.95083 4.046401       5.999217  4.247156       6.656462  -2.455437      80.29568 
1 1 1 17  -12 2  o 124.5305 50.67942 3.419984       5.954615  5.009484       6.360673  -8.854515      80.14354 
1 1 1 17  -12 3  o 162.8300 53.41415 11.36771       6.080979  5.252092       6.387593  40.49002       85.80998 
1 1 1 17  -12 4  o 87.65100 41.35978 -0.8805726     5.708798  -3.793387      6.042667  7.259453       68.69283 
1 1 1 17  -12 5  o 116.0953 47.08671 2.959834       4.604211  3.572061       6.400731  -10.16833      76.16715 
1 1 1 17  -12 6  o 83.25399 38.32956 -2.898214      4.337782  1.277067       4.835315  -22.91403      64.32341 
1 1 1 17  -12 7  o 74.54915 35.44053 -4.152291      4.274848  -0.7010607     4.683742  -17.28920      60.52941 
1 1 1 17  -12 8  o 82.99866 38.88846 -0.8631897     4.212969  -3.981489      6.633323  -7.922325      65.61044 
1 1 1 17  -12 9  o 127.5858 48.34324 7.036225       4.331687  -1.883455      7.240303  37.64463       74.71091 
1 1 1 17  -12 10 o 111.9376 45.28234 5.130171       4.057626  -2.277525      6.529971  26.09474       70.91574 
1 1 1 17  -12 11 o 154.7581 53.53643 6.003741       5.811796  11.01776       6.819731  -27.30037      85.92625 
1 1 1 17  -12 12 o 72.96896 35.76624 -5.086005      3.883811  0.000000       0.000000  ?              ?        
1 1 1 17  -12 13 o 103.1252 43.86394 4.263363       4.188237  -2.732174      6.202550  22.20455       69.15361 
1 1 1 17  -12 14 o 92.92133 40.91936 0.9423295E-01  3.835117  3.504950       6.050754  -26.67069      68.32310 
1 1 1 17  -12 15 o 90.98780 40.78240 0.9774578      4.085626  -0.1472922     5.928814  -5.737495      66.32153 
1 1 1 17  -12 16 f 83.56103 37.73738 -3.624268      3.898318  5.137238       4.486205  -47.97614      63.20010 
1 1 1 17  -11 0  o 83.28324 37.83373 -0.9937508     4.083911  0.1408173      4.454642  -8.634964      62.57068 
1 1 1 17  -11 1  o 94.49291 43.50129 -1.102907      5.398452  -0.7845553E-01 6.520062  -10.74667      71.58038 
1 1 1 17  -11 2  o 122.8255 50.74182 6.762439       6.084674  0.1806834      6.498379  30.23316       80.14253 
1 1 1 17  -11 3  o 114.0131 48.99998 8.894988       5.912614  -5.997087      6.632152  63.11926       77.49961 
1 1 1 17  -11 4  f 118.2236 49.78100 5.002858       5.850176  0.1771176      6.663782  19.01138       79.06641 
1 1 1 17  -11 5  o 247.5042 48.01681 13.99996       6.498616  22.18066       7.923551  -48.38228      95.39196 
1 1 1 17  -11 6  o 83.57154 39.98865 -0.3268228     5.533868  -7.751544      6.301233  16.80096       67.48630 
1 1 1 17  -11 7  o 119.1046 50.42771 -2.498319      6.096228  9.455471       6.842595  -59.70609      81.67964 
1 1 1 17  -11 8  o 144.3177 53.24471 4.690927       5.972739  7.790774       6.666355  -18.97652      85.44897 
1 1 1 17  -11 9  o 107.0633 46.83096 -2.580657      5.593947  6.087722       6.285655  -43.68302      76.82957 
1 1 1 17  -11 10 o 107.6167 45.02528 2.704826       5.797346  1.759268       4.512658  11.97378       73.16560 
1 1 1 17  -11 11 o 100.5134 44.02179 2.291847       6.328693  0.4171849      4.565928  18.79905       72.54259 
1 1 1 17  -11 12 o 84.74415 40.44462 -1.953444      5.505988  -4.402600      6.476573  0.5055542      67.50865 
1 1 1 17  -11 13 o 100.9599 43.99498 5.709614       5.911505  -1.167023      4.656641  39.24454       72.52516 
1 1 1 17  -11 14 o 82.46626 38.58860 0.3161885      5.563596  -2.705503      4.465628  19.84852       64.97447 
1 1 1 17  -11 15 o 124.4544 47.02144 4.725747       5.648627  4.497180       4.481606  2.880997       75.06964 
1 1 1 17  -11 16 o 100.0628 43.28568 5.050477       5.547034  -0.3777052     4.485681  31.38583       70.42583 
1 1 1 17  -11 17 o 112.3619 44.87526 3.406219       5.502649  3.569191       4.200479  2.235626       71.30639 
1 1 1 17  -10 0  o 338.7185 36.35035 22.30445       6.962176  38.77095       8.233450  -100.9435      80.97570 
1 1 1 17  -10 1  o 175.3280 55.04361 10.26449       6.261135  8.060885       7.162014  16.49702       90.75901 
1 1 1 17  -10 2  o 158.7125 45.01227 11.08470       4.652944  2.706495       4.617183  74.16350       73.56012 
1 1 1 17  -10 3  o 326.6530 25.73202 26.62864       4.956608  23.00722       5.418142  31.01471       55.12008 
1 1 1 17  -10 4  o 389.0031 23.41038 41.22225       5.519913  28.20700       5.731961  81.63031       50.27039 
1 1 1 17  -10 5  o 224.4928 34.64961 12.89098       4.476888  11.91653       4.890676  13.96965       72.28057 
1 1 1 17  -10 6  o 143.2837 45.06709 6.943767       4.313270  3.813842       4.637965  26.40764       74.57662 
1 1 1 17  -10 7  o 161.0856 42.68943 6.730618       4.109177  7.185563       4.599597  -3.284409      75.13268 
1 1 1 17  -10 8  o 74.70416 34.87289 -3.021681      3.668108  -0.1185611     4.395637  -21.64041      60.04940 
1 1 1 17  -10 9  o 214.9685 35.23388 10.35113       4.135505  13.58282       5.080558  -23.53886      73.03001 
1 1 1 17  -10 10 o 279.8706 27.77770 19.83471       4.782397  17.56138       4.735746  19.34161       59.55232 
1 1 1 17  -10 11 o 124.4933 49.48707 0.000000       0.000000  3.678481       4.041638  ?              ?        
1 1 1 17  -10 12 o 213.3320 38.93166 9.779092       4.116484  17.49656       6.710042  -44.66345      81.43210 
1 1 1 17  -10 13 o 86.63952 38.10092 0.9085087      3.738513  -0.5032632     4.224050  3.536865       62.48879 
1 1 1 17  -10 14 o 93.22180 39.70755 1.510576       3.726089  0.6791005      4.429433  -0.3053131     64.49966 
1 1 1 17  -10 15 o 79.88253 36.54398 -1.579284      3.834564  0.4343926      4.334755  -14.16010      60.88309 
1 1 1 17  -10 16 o 131.9934 42.93533 7.016009       3.799058  2.385874       4.305344  38.79755       69.11914 
1 1 1 17  -10 17 f 122.9775 43.33429 2.402071       3.811687  7.214219       4.490281  -37.98301      70.34686 
1 1 1 17  -10 18 o 100.6056 41.21471 3.330695       3.953804  1.052649       4.261158  12.62400       65.71500 
1 1 1 17  -9  0  o 88.26387 38.61406 0.3949232      3.965075  -0.9893639E-01 4.075631  1.778984       63.80768 
1 1 1 17  -9  1  o 189.6878 38.57560 9.313594       4.343295  8.898699       4.426538  4.850677       74.04953 
1 1 1 17  -9  2  o 529.9279 20.41936 68.60165       6.754158  59.02604       6.646727  41.47333       41.75404 
1 1 1 17  -9  3  o 70.11366 33.42082 -2.553259      3.885384  -3.689314      4.180755  1.088150       57.84468 
1 1 1 17  -9  4  o 422.3893 21.66804 40.86246       5.515712  40.31831       5.812805  4.739166       44.45958 
1 1 1 17  -9  5  o 236.7973 31.49709 12.39919       4.352536  14.51175       4.690345  -18.31950      66.41782 
1 1 1 17  -9  6  o 163.9306 41.14967 6.532300       3.973321  7.273807       4.417037  -6.974426      73.68744 
1 1 1 17  -9  7  o 135.4730 43.81893 2.237835       3.936549  7.836327       4.523222  -51.92878      72.24503 
1 1 1 17  -9  8  f 288.6914 27.86256 18.61511       4.625685  20.72897       5.297915  -11.84155      59.14406 
1 1 1 17  -9  9  o 281.0947 27.28023 15.89910       4.330862  22.30919       5.175300  -46.95399      57.66740 
1 1 1 17  -9  10 o 191.7904 35.89690 8.254101       3.865774  10.48955       4.416589  -20.37155      70.88644 
1 1 1 17  -9  11 o 135.9888 46.71688 1.355616       5.558708  7.041222       4.230024  -37.00598      74.54739 
1 1 1 17  -9  12 o 199.7796 34.86385 8.496840       4.162293  11.45725       4.164726  -32.19586      69.84064 
1 1 1 17  -9  13 o 222.7303 32.70442 11.61418       4.181644  12.98359       4.619095  -9.622665      68.94949 
1 1 1 17  -9  14 o 129.7083 43.24321 2.655466       3.806084  7.084652       4.416466  -39.21836      71.21517 
1 1 1 17  -9  15 o 123.9971 42.79539 4.248440       3.792257  4.054773       4.237525  0.5541992      69.95670 
1 1 1 17  -9  16 o 81.94659 36.69747 3.047047       3.736750  -3.676140      3.959032  34.33896       60.46282 
1 1 1 17  -9  17 o 90.06685 38.76514 0.6790615      3.723012  1.163224       4.145576  -6.175201      63.18070 
1 1 1 17  -9  18 o 104.5702 41.14682 4.108598       3.768938  1.009314       4.078863  19.98579       65.59995 
1 1 1 17  -9  19 o 90.77024 39.16267 0.1887615      3.846503  2.189435       4.211984  -13.84362      63.49248 
1 1 1 17  -8  0  o 271.6257 27.50479 16.51515       4.544951  18.04776       4.596722  -13.19685      58.19564 
1 1 1 17  -8  1  f 275.5374 27.38745 17.52499       4.616292  17.85727       4.622119  -2.860657      57.71565 
1 1 1 17  -8  2  o 121.9808 42.80826 3.729443       3.958812  3.210682       4.058005  3.848549       70.41549 
1 1 1 17  -8  3  o 144.2614 42.66777 4.819349       4.021661  5.677724       4.152420  -8.637619      72.63636 
1 1 1 17  -8  4  o 108.8647 41.83952 1.380870       3.862335  3.243077       4.095383  -16.44442      68.56425 
1 1 1 17  -8  5  o 314.0529 24.73935 25.25930       4.759026  19.81310       4.802609  41.44608       51.83704 
1 1 1 17  -8  6  o 242.7873 30.67378 12.62047       4.337418  15.29880       4.720304  -23.46812      64.50494 
1 1 1 17  -8  7  o 274.3014 27.52144 17.16033       4.521430  17.72002       4.724686  -3.455658      57.81417 
1 1 1 17  -8  8  o 338.7206 23.81294 23.89104       4.704003  29.11884       5.290724  -32.75952      49.07450 
1 1 1 17  -8  9  o 90.90228 39.10622 1.428956       3.727369  -1.134971      4.299497  9.685860       64.62009 
1 1 1 17  -8  10 o 213.3065 33.66961 11.16202       4.124410  10.75757       4.517321  7.166458       69.25265 
1 1 1 17  -8  11 o 102.5446 40.57680 4.948194       3.757870  -1.435704      3.898559  46.57002       65.07583 
1 1 1 17  -8  12 o 145.5453 41.30283 4.516656       3.681331  6.851358       4.166141  -23.37721      71.12299 
1 1 1 17  -8  13 o 87.87962 37.82587 -1.955766      3.674330  3.063178       3.788636  -33.48129      62.39406 
1 1 1 17  -8  14 o 206.2400 34.09029 8.156504       4.194294  12.95574       4.224067  -51.27559      68.75103 
1 1 1 17  -8  15 f 114.1639 41.68032 1.335623       3.732373  5.257251       3.955399  -33.23075      67.54969 
1 1 1 17  -8  16 o 91.92429 38.90297 -0.5645658     3.621120  3.088362       4.075742  -27.30882      63.92772 
1 1 1 17  -8  17 o 138.3538 42.23378 2.597896       3.750359  8.848019       4.200692  -57.36565      69.50744 
1 1 1 17  -8  18 o 142.8334 41.60810 5.715695       3.796888  5.682117       4.034649  0.7834167      70.84483 
1 1 1 17  -8  19 o 70.07021 33.24330 -1.884706      3.793827  -2.394927      3.992597  0.6122589E-01  56.14671 
1 1 1 17  -8  20 o 128.6507 43.13261 5.232964       3.994259  4.430948       4.120191  6.648033       70.36405 
1 1 1 17  -7  0  o 223.3040 31.62425 10.83578       4.088597  13.02644       4.450768  -20.27774      65.87632 
1 1 1 17  -7  1  o 76.76913 35.19475 -2.529156      3.748101  -0.3523500     3.842216  -12.89895      59.97670 
1 1 1 17  -7  2  o 318.9357 24.21219 22.98721       4.635062  23.34649       4.883476  -1.323120      49.95323 
1 1 1 17  -7  3  o 251.8822 28.68264 15.61374       4.388779  13.72756       4.415034  18.11630       60.31779 
1 1 1 17  -7  4  o 277.5282 26.77465 16.33636       4.409492  19.14542       4.709884  -22.35239      55.79142 
1 1 1 17  -7  5  o 264.8164 27.15459 18.98775       4.456852  13.34217       4.340652  50.28000       57.44806 
1 1 1 17  -7  6  o 267.4785 26.93733 17.59784       4.385155  15.17807       4.432624  21.90233       56.46231 
1 1 1 17  -7  7  o 209.3215 34.02221 9.926624       4.249230  10.84872       4.283179  -9.727432      68.82016 
1 1 1 17  -7  8  o 240.5540 29.42623 9.646416       4.133489  17.90476       4.487682  -78.76257      62.01351 
1 1 1 17  -7  9  o 156.6819 40.80113 5.002781       3.747579  7.542710       4.321650  -26.88680      72.06795 
1 1 1 17  -7  10 o 389.0396 21.07604 37.09641       5.078240  31.25872       5.056379  34.88397       43.15884 
1 1 1 17  -7  11 o 165.7592 39.12049 6.833688       3.884764  6.851197       4.034107  0.1647949E-01  71.25874 
1 1 1 17  -7  12 o 222.5143 31.17374 10.06233       4.094479  13.63018       4.281873  -36.15843      64.96945 
1 1 1 17  -7  13 o 354.9857 22.34970 30.54034       4.730481  26.88060       5.081402  26.67865       46.58799 
1 1 1 17  -7  14 o 92.26494 38.54064 3.545666       3.663040  -1.570587      3.699353  35.02728       62.84022 
1 1 1 17  -7  15 o 170.4245 38.27609 9.324857       4.019911  5.676872       3.878446  38.83304       70.10712 
1 1 1 17  -7  16 o 142.9989 42.78244 5.231550       4.042766  5.758642       4.136679  -4.967972      72.42363 
1 1 1 17  -7  17 o 277.3458 26.12010 17.07681       4.269058  19.72041       4.635260  -19.01590      55.69656 
1 1 1 17  -7  18 o 117.3861 41.29924 3.582822       3.524748  3.736347       3.979638  -2.729111      67.42585 
1 1 1 17  -7  19 o 261.7826 27.28679 15.94575       4.254500  17.31833       4.486985  -9.773636      59.00458 
1 1 1 17  -7  20 o 129.5985 42.19002 7.324546       3.952333  2.479085       3.829520  42.42903       68.49553 
1 1 1 17  -7  21 o 84.71712 37.00730 -1.681563      3.518879  3.346392       3.864802  -32.81020      60.90094 
1 1 1 17  -6  0  o 161.1344 40.95724 8.090882       4.013879  4.667761       4.196151  35.11987       71.78624 
1 1 1 17  -6  1  o 217.4553 32.74847 16.10638       4.317001  6.329346       4.245028  99.68102       65.51699 
1 1 1 17  -6  2  o 178.2775 40.19333 7.284122       4.136178  8.333390       4.573569  -10.50241      74.28674 
1 1 1 17  -6  3  o 585.9382 19.18744 74.55876       6.792154  78.88182       7.150984  -15.93103      38.78301 
1 1 1 17  -6  4  o 446.6575 28.83696 45.47647       5.619507  0.000000       0.000000  ?              ?        
1 1 1 17  -6  5  o 548.2233 19.11854 66.97285       6.439086  67.02631       6.545775  0.7550049E-01  38.62637 
1 1 1 17  -6  6  o 413.7727 20.90865 38.91559       5.375907  37.74089       5.323015  6.404388       42.41619 
1 1 1 17  -6  7  f 201.2822 34.06350 6.190001       4.010472  13.20266       4.199223  -74.58534      66.30315 
1 1 1 17  -6  8  o 361.4781 21.70459 32.71384       4.902620  26.12283       4.788311  42.01865       44.41079 
1 1 1 17  -6  9  o 110.3835 41.20596 0.1414114E-01  3.583059  5.349107       4.033481  -49.33660      67.25964 
1 1 1 17  -6  10 o 259.6291 26.22326 14.24409       4.044573  16.74217       4.298003  -21.47313      54.64455 
1 1 1 17  -6  11 o 146.1373 41.47577 5.529954       3.843889  4.985668       4.030386  5.021698       71.39641 
1 1 1 17  -6  12 o 311.3485 23.62597 19.73040       4.322544  24.91785       4.768087  -36.67087      48.70860 
1 1 1 17  -6  13 o 104.8778 42.94396 0.5368781      3.779919  3.707108       5.667772  -35.94562      73.14630 
1 1 1 17  -6  14 o 174.3813 36.77976 6.869193       3.692092  8.353218       4.037300  -15.30141      69.54153 
1 1 1 17  -6  15 o 198.6460 32.93358 7.467924       3.764952  12.22330       4.087164  -50.42383      66.11015 
1 1 1 17  -6  16 o 292.9865 24.36265 21.00771       4.419178  18.89133       4.357038  16.76654       51.01689 
1 1 1 17  -6  17 o 231.7813 30.15912 15.18999       4.144487  10.57696       4.328520  49.58923       64.65407 
1 1 1 17  -6  18 o 142.1904 41.11539 2.025072       3.527694  10.37992       4.229297  -81.38641      67.33957 
1 1 1 17  -6  19 o 205.4395 34.13160 10.42422       4.144012  11.14368       4.252299  -6.550278      70.32776 
1 1 1 17  -6  20 o 194.9578 33.95298 8.668616       3.825352  10.93784       4.103311  -22.28448      68.77697 
1 1 1 17  -6  21 f 151.6187 40.34442 5.515146       3.832669  7.468475       3.889468  -19.37334      70.43011 
1 1 1 17  -6  22 o 183.5697 36.22795 9.123550       3.904562  8.990932       4.057472  3.230698       70.96526 
1 1 1 17  -5  0  o 72.20450 33.93486 -2.085938      3.773072  -3.083190      3.997748  1.692734       58.70781 
1 1 1 17  -5  1  o 480.5868 19.92529 53.26135       5.819386  49.86953       6.041244  17.02649       40.45127 
1 1 1 17  -5  2  o 105.0446 41.90150 4.141991       4.103589  -1.010427      4.119947  37.81837       68.38247 
1 1 1 17  -5  3  o 544.7842 19.38031 71.72579       6.536052  60.47376       6.541880  47.65118       39.29676 
1 1 1 17  -5  4  o 746.8679 18.90166 135.9085       9.003057  113.3482       8.517259  68.18921       38.12259 
1 1 1 17  -5  5  o 854.4221 19.28175 163.1837       10.17396  161.2133       10.26593  5.512085       38.89518 
1 1 1 17  -5  6  o 634.9000 18.54516 84.10610       7.088386  95.66479       7.523059  -40.80927      37.37484 
1 1 1 17  -5  7  o 580.4085 18.62232 75.37505       6.727673  74.35668       6.664954  3.889893       37.54694 
1 1 1 17  -5  8  o 167.3612 39.81347 8.769753       4.132583  4.815727       4.015793  42.18285       71.00423 
1 1 1 17  -5  9  o 403.5532 20.24684 35.45223       4.983923  37.32585       5.123463  -10.32602      41.01612 
1 1 1 17  -5  10 o 331.0344 22.14637 24.85090       4.566443  24.38730       4.477938  2.940735       45.16587 
1 1 1 17  -5  11 o 310.4993 22.34518 20.52789       4.355752  22.81161       4.198773  -17.87488      45.93803 
1 1 1 17  -5  12 o 360.6126 21.61195 29.02276       4.908514  29.49466       4.721557  -3.806244      44.10850 
1 1 1 17  -5  13 o 205.5218 43.73262 10.53256       3.821234  0.000000       0.000000  ?              ?        
1 1 1 17  -5  14 o 183.9978 35.24865 8.566680       3.780847  7.795264       3.980397  9.522186       68.46159 
1 1 1 17  -5  15 o 345.8914 21.07262 25.25104       4.287748  29.46732       4.747168  -25.91440      43.16763 
1 1 1 17  -5  16 o 169.1474 37.34520 7.227873       3.629127  7.230238       4.029272  1.535950       69.75938 
1 1 1 17  -5  17 o 209.9560 30.89905 13.54652       4.005770  8.007089       3.809721  59.03601       63.71321 
1 1 1 17  -5  18 o 106.2340 39.89420 1.826087       3.526752  3.226225       3.598197  -12.08163      64.97289 
1 1 1 17  -5  19 o 112.0909 40.43827 3.039568       3.435953  3.175664       3.788215  -2.908051      66.01643 
1 1 1 17  -5  20 o 52.78539 26.31341 -4.061367      3.289948  -7.410223      3.658464  5.278389       47.13070 
1 1 1 17  -5  21 o 119.4044 40.31128 1.415260       3.342682  6.917857       3.782449  -51.47877      65.40067 
1 1 1 17  -5  22 o 134.7259 40.51095 2.440221       3.509184  8.345961       3.830602  -56.50912      66.56396 
1 1 1 17  -5  23 o 186.8068 34.61015 10.67965       3.819190  7.745738       3.908294  33.85014       68.55971 
1 1 1 17  -4  0  o 327.0245 23.74937 23.87710       4.651704  24.44755       4.930383  -2.914551      48.71262 
1 1 1 17  -4  1  o 180.5922 38.30668 9.756847       4.018184  5.569590       4.313860  44.79506       70.63540 
1 1 1 17  -4  2  o 233.2973 30.43802 14.54327       4.206374  10.29434       4.400222  43.77113       63.76620 
1 1 1 17  -4  3  o 806.3464 18.93280 141.0835       9.173527  147.9184       9.797342  -18.13831      38.20206 
1 1 1 17  -4  4  o 345.3067 24.57989 23.81501       4.952236  30.49084       5.561910  -42.92087      50.17466 
1 1 1 17  -4  5  o 975.1547 20.18146 210.5914       12.01949  211.6413       12.40554  -1.686768      40.69271 
1 1 1 17  -4  6  o 456.3445 20.94828 44.61567       5.718527  48.36083       6.131484  -17.94257      42.36003 
1 1 1 17  -4  7  f 686.5591 26.75624 105.7265       8.042147  0.000000       0.000000  ?              ?        
1 1 1 17  -4  8  o 489.8154 19.25611 59.51095       5.936923  47.46545       5.746580  56.18756       38.98608 
1 1 1 17  -4  9  o 527.8804 18.55386 60.89951       6.033585  62.84422       6.099163  -8.331116      37.40046 
1 1 1 17  -4  10 o 184.9294 35.97406 7.163113       3.939246  9.012327       4.018308  -20.51283      68.96774 
1 1 1 17  -4  11 o 259.3553 26.15657 13.45294       4.110116  17.15866       4.192570  -33.55910      54.59739 
1 1 1 17  -4  12 o 513.6074 25.42730 0.000000       0.000000  59.51642       5.710582  ?              ?        
1 1 1 17  -4  13 o 152.1167 41.87148 7.247148       3.598624  2.836436       4.811226  37.71831       71.09450 
1 1 1 17  -4  14 o 310.1689 21.82339 21.37930       4.155600  22.07664       4.188824  -5.111847      44.68336 
1 1 1 17  -4  15 o 193.1186 32.84256 8.232574       3.781010  9.571310       3.806447  -15.16492      65.74522 
1 1 1 17  -4  16 o 137.1542 40.22581 4.241097       3.547052  5.239758       3.749435  -10.84073      68.65751 
1 1 1 17  -4  17 o 198.1822 31.18214 11.52180       3.593457  7.172307       3.831863  51.08519       63.54081 
1 1 1 17  -4  18 o 118.5931 40.52042 5.895092       3.610600  1.095531       3.550609  44.44538       65.50890 
1 1 1 17  -4  19 o 129.8597 40.64030 0.9521498      3.582861  8.068163       3.693505  -68.61959      64.76845 
1 1 1 17  -4  20 o 126.6771 41.05487 2.671675       3.443393  6.425694       3.986540  -36.07297      68.08736 
1 1 1 17  -4  21 o 106.4527 39.85014 4.137553       3.391408  1.082212       3.728901  22.73696       63.99602 
1 1 1 17  -4  22 o 109.1535 39.95937 2.068111       3.409177  4.180862       3.669483  -18.73918      64.83479 
1 1 1 17  -4  23 o 125.4471 40.41175 6.981437       3.553215  1.813468       3.595355  47.69836       65.12849 
1 1 1 17  -4  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  -3  0  o 245.7335 28.68383 17.25205       4.243999  10.26863       4.338028  68.13211       61.30773 
1 1 1 17  -3  1  o 376.7878 21.47907 29.73827       4.817915  34.06166       5.203277  -25.40732      43.59081 
1 1 1 17  -3  2  o 91.55558 39.42783 1.426914       3.840968  -1.838435      4.313417  14.84515       65.72089 
1 1 1 17  -3  3  o 675.0457 18.84408 101.1724       7.745499  100.8983       8.028386  1.470642       37.96486 
1 1 1 17  -3  4  f 160.7785 41.36213 8.368120       4.004017  3.584597       4.310393  47.78813       71.24277 
1 1 1 17  -3  5  o 77.94246 35.56982 -2.602107      3.601544  -0.3244203     4.078013  -19.61832      61.47363 
1 1 1 17  -3  6  o 99.99214 41.04120 3.512452       3.925611  -2.101322      4.241099  35.97816       67.18383 
1 1 1 17  -3  7  o 146.8103 42.31031 3.427146       3.920480  6.977854       4.223040  -37.09554      71.92885 
1 1 1 17  -3  8  o 543.7178 18.69901 67.90937       6.300766  63.11260       6.294047  20.25909       37.67958 
1 1 1 17  -3  9  o 395.7024 21.84959 38.57507       5.354545  31.23717       5.330403  42.90482       44.52196 
1 1 1 17  -3  10 o 579.6365 18.42881 73.82971       6.519805  75.18295       6.720457  -4.976929      37.11889 
1 1 1 17  -3  11 o 552.1551 17.73642 65.29801       5.964026  70.06564       6.175664  -19.40057      35.71923 
1 1 1 17  -3  12 o 565.3278 25.02861 0.000000       0.000000  71.76806       6.190994  ?              ?        
1 1 1 17  -3  13 o 281.9966 23.92910 16.80800       4.086752  19.16088       4.208716  -19.12656      49.26431 
1 1 1 17  -3  14 o 564.6411 17.40265 68.89150       6.043990  73.02637       6.133293  -16.60736      35.10835 
1 1 1 17  -3  15 o 175.5854 32.92722 7.874485       3.511744  6.827668       3.400330  12.20619       64.06547 
1 1 1 17  -3  16 o 114.1633 39.22994 2.675876       3.389838  3.256412       3.325116  -5.149796      64.87048 
1 1 1 17  -3  17 o 97.18500 38.01350 2.826358       3.376177  0.5370980      3.274739  20.07397       62.23201 
1 1 1 17  -3  18 o 62.62562 29.80776 -3.740679      3.142533  -1.077031      3.214279  -14.04971      51.93722 
1 1 1 17  -3  19 o 141.0831 38.88185 6.875082       3.544930  3.421499       3.479488  36.99249       66.44801 
1 1 1 17  -3  20 o 99.82934 38.61911 1.494624       3.418344  2.593125       3.384904  -8.670311      62.83608 
1 1 1 17  -3  21 o 103.2169 38.94720 2.432378       3.174275  2.472208       3.691620  -3.577118      63.45091 
1 1 1 17  -3  22 o 265.6357 24.76432 15.89539       3.792015  17.96907       4.328227  -12.43404      53.01466 
1 1 1 17  -3  23 o 151.5895 37.96179 4.276437       3.344969  8.931144       3.826333  -47.60925      67.02278 
1 1 1 17  -3  24 o 82.49023 35.93426 0.3468696      3.417631  0.7541999      3.480682  -3.045692      58.61090 
1 1 1 17  -2  0  o 289.4484 25.66915 19.75370       4.490340  18.08462       4.635477  14.23941       53.12995 
1 1 1 17  -2  1  o 243.1836 29.66817 13.44599       4.278553  13.57698       4.495399  -0.3161316     61.70321 
1 1 1 17  -2  2  o 618.8120 19.09440 84.42988       7.232962  85.44940       7.412008  -3.440979      38.46183 
1 1 1 17  -2  3  o 109.5454 41.83761 2.360595       3.816968  1.612655       4.112967  2.975983       69.02031 
1 1 1 17  -2  4  o 418.0527 19.72413 39.82004       4.978537  37.65368       5.232043  12.46255       39.94429 
1 1 1 17  -2  5  o 114.4817 41.59451 4.238700       3.683265  0.5776833      3.965748  29.00147       67.86810 
1 1 1 17  -2  6  o 594.7065 17.88097 79.15916       6.536870  77.30958       6.642304  7.304749       35.97832 
1 1 1 17  -2  7  o 253.6267 27.83510 13.38563       4.180177  15.84143       4.447039  -21.91789      57.62682 
1 1 1 17  -2  8  o 449.9667 19.05451 42.27202       5.040180  48.11671       5.620112  -28.73477      38.44609 
1 1 1 17  -2  9  o 166.8369 39.46028 3.922426       3.784054  10.01547       4.304923  -66.02731      69.39587 
1 1 1 17  -2  10 o 707.4510 17.81751 119.5743       8.047828  102.8259       7.597465  53.48743       35.82716 
1 1 1 17  -2  11 o 339.8385 22.66321 29.31190       4.872181  22.60392       4.637135  45.19769       46.27213 
1 1 1 17  -2  12 o 255.5172 30.86233 15.79298       5.975444  14.50923       4.114815  3.777634       67.73550 
1 1 1 17  -2  13 o 337.2438 21.15733 25.05485       4.351542  25.79862       4.457981  -4.801422      42.98511 
1 1 1 17  -2  14 o 95.12716 38.24312 2.847673       3.481331  -0.5061778     3.424926  27.55202       62.91071 
1 1 1 17  -2  15 o 382.3846 19.02361 28.66635       4.353572  37.23011       4.658382  -50.72324      38.63783 
1 1 1 17  -2  16 o 237.3317 25.25216 15.84800       3.826731  10.39727       3.514477  52.68105       53.05434 
1 1 1 17  -2  17 o 161.8781 35.77172 5.094681       3.441057  7.780356       3.554239  -31.14780      65.82814 
1 1 1 17  -2  18 o 244.7370 25.00651 12.03970       3.699980  15.75695       3.787710  -35.79990      52.87479 
1 1 1 17  -2  19 o 98.92069 38.04395 1.666656       3.301263  2.196414       3.273010  -4.235809      62.15313 
1 1 1 17  -2  20 f 191.0567 31.12475 9.057806       3.544715  8.678679       3.579392  4.752243       63.48932 
1 1 1 17  -2  21 o 75.19366 33.57293 -0.6931927     3.235049  -0.3908879E-01 3.148687  -3.018005      55.95621 
1 1 1 17  -2  22 o 173.1516 33.02758 6.315094       3.311794  9.127713       3.535262  -31.63615      64.41402 
1 1 1 17  -2  23 o 101.0852 37.96663 2.440823       3.163245  2.363976       3.293324  -0.1345825     61.63490 
1 1 1 17  -2  24 o 112.0825 38.69889 2.099753       3.190598  4.831886       3.351435  -25.64097      62.97205 
1 1 1 17  -2  25 o 62.57681 29.78733 -3.584528      3.253747  -0.5576648     3.101627  -11.98315      50.79303 
1 1 1 17  -1  0  o 197.1450 34.68286 8.422653       4.016564  9.819407       4.160596  -14.99814      68.41200 
1 1 1 17  -1  1  o 114.4037 44.77207 3.363847       4.611072  0.6796848      4.615878  19.29246       73.63823 
1 1 1 17  -1  2  f 516.5095 18.99678 59.49141       6.028335  58.78193       6.125279  3.337952       38.28117 
1 1 1 17  -1  3  o 217.7648 31.98141 8.486006       4.089673  13.51180       4.301432  -52.06583      64.91738 
1 1 1 17  -1  4  o 413.9002 20.14278 36.54853       5.003590  39.71350       5.323567  -16.96967      40.67972 
1 1 1 17  -1  5  o 579.8276 18.06240 69.53376       6.231765  80.14997       6.780383  -41.02905      36.33802 
1 1 1 17  -1  6  f 306.2835 23.55779 21.29300       4.302579  20.60614       4.594752  6.059418       48.24711 
1 1 1 17  -1  7  o 217.4974 30.50492 10.84489       3.888881  10.75310       4.127086  1.787064       62.64252 
1 1 1 17  -1  8  o 685.7318 17.73930 108.3381       7.585490  99.73524       7.494327  28.62097       35.67454 
1 1 1 17  -1  9  o 270.2581 24.89817 17.11667       4.012741  15.56954       4.252064  14.27084       51.51739 
1 1 1 17  -1  10 o 248.9386 25.92781 16.97926       3.989941  11.05422       3.901954  56.04787       54.58730 
1 1 1 17  -1  11 o 524.3577 17.69899 60.09562       5.607625  61.64451       5.900982  -6.303772      35.63603 
1 1 1 17  -1  12 o 440.1153 20.21358 44.98768       5.508219  41.07105       5.499444  20.49869       40.85460 
1 1 1 17  -1  13 o 571.0320 17.62184 68.24010       6.135658  76.50252       6.338469  -32.82489      35.48044 
1 1 1 17  -1  14 o 687.6656 17.19007 111.3835       7.508919  98.70584       7.168562  41.59875       34.63561 
1 1 1 17  -1  15 o 244.8366 25.18493 16.06510       3.801212  11.21447       3.740573  46.82339       53.03509 
1 1 1 17  -1  16 o 244.4084 24.76718 14.90445       3.745191  12.33524       3.662612  24.56276       51.60998 
1 1 1 17  -1  17 o 123.9493 39.38157 4.371404       3.441025  2.972116       3.366328  14.78570       65.92307 
1 1 1 17  -1  18 o 460.8125 17.08168 47.43684       4.883773  47.53720       4.865028  -0.5737915     34.57242 
1 1 1 17  -1  19 o 82.22159 35.26386 -1.793561      3.167183  2.529763       3.275849  -32.27411      58.45768 
1 1 1 17  -1  20 o 135.6971 38.47422 3.198607       3.278647  6.438367       3.506326  -35.28019      65.52572 
1 1 1 17  -1  21 o 232.6207 25.83381 11.08628       3.559765  14.64782       3.780187  -34.78848      54.97092 
1 1 1 17  -1  22 o 76.93614 33.86324 2.746601       3.324291  -2.227692      2.972564  37.56115       56.86179 
1 1 1 17  -1  23 o 88.91391 36.75741 0.8984731      3.313912  1.598483       3.284756  -4.811691      59.75337 
1 1 1 17  -1  24 o 111.7599 38.57467 2.629616       3.108019  4.147259       3.406475  -15.03832      63.20870 
1 1 1 17  -1  25 o 113.4360 38.22079 3.748962       3.185921  3.289812       3.182876  4.390793       62.69461 
1 1 1 17  0   0  o 582.5875 18.49227 74.17595       6.656559  76.48029       6.692542  -9.015137      37.25917 
1 1 1 17  0   1  o 469.9023 20.21104 49.66443       5.859473  48.45108       5.895783  6.026672       40.80291 
1 1 1 17  0   2  o 301.5201 24.50402 16.79858       4.404385  24.42177       4.697218  -58.23508      50.67651 
1 1 1 17  0   3  o 461.9345 19.12855 43.14926       5.287966  52.05412       5.670842  -43.55588      38.56461 
1 1 1 17  0   4  o 180.5359 51.37373 7.822422       4.262078  0.000000       0.000000  ?              ?        
1 1 1 17  0   5  o 827.0527 18.26961 155.6062       9.460086  147.0455       9.288277  23.46204       36.75637 
1 1 1 17  0   6  o 553.3145 18.13777 79.43551       6.511104  57.99227       5.959564  87.70325       36.59327 
1 1 1 17  0   7  o 472.5666 18.52585 48.32376       5.327873  50.70478       5.517498  -11.24045      37.32104 
1 1 1 17  0   8  o 524.3787 18.05832 59.36547       5.772021  62.46643       5.963247  -13.25360      36.34433 
1 1 1 17  0   9  o 497.8446 17.87747 54.21510       5.400239  55.53976       5.631031  -5.727295      35.99725 
1 1 1 17  0   10 o 412.1107 19.34080 36.03179       4.815043  39.45551       5.054696  -18.66803      39.01822 
1 1 1 17  0   11 o 186.2090 34.93530 6.837140       3.734764  9.498713       4.059883  -29.66873      67.34276 
1 1 1 17  0   12 o 495.4695 17.78457 53.93088       5.407153  54.72110       5.508706  -3.496307      35.79295 
1 1 1 17  0   13 o 370.6816 20.99151 31.50820       4.783130  29.62811       4.831419  11.84677       42.53647 
1 1 1 17  0   14 o 483.6595 17.70475 53.63952       5.292850  50.05207       5.312982  17.09271       35.69420 
1 1 1 17  0   15 o 265.3501 23.39720 16.56696       3.856563  15.16736       3.768601  12.07063       48.11578 
1 1 1 17  0   16 o 228.7868 25.86414 11.61663       3.501134  12.27358       3.721730  -5.717728      53.82312 
1 1 1 17  0   17 o 136.6287 37.80965 3.445555       3.319031  5.578933       3.307224  -23.93475      65.06864 
1 1 1 17  0   18 f 237.2500 24.60308 10.50535       3.451867  15.63094       3.697504  -49.88339      51.79548 
1 1 1 17  0   19 o 121.0620 38.32177 4.209597       3.259854  2.929950       3.191154  13.80076       64.15845 
1 1 1 17  0   20 o 169.3329 32.62766 5.855891       3.250444  8.299548       3.358083  -29.20949      62.97608 
1 1 1 17  0   21 o 322.0130 20.24515 21.55631       3.919801  26.00102       4.135955  -30.93112      41.66615 
1 1 1 17  0   22 o 100.5973 37.57639 1.455162       3.141564  3.062544       3.161199  -14.43142      61.18505 
1 1 1 17  0   23 o 59.20602 28.20972 -3.188014      2.900030  -1.069860      2.824430  -9.459862      48.71539 
1 1 1 17  0   24 o 97.98543 37.79823 0.1017245      3.310338  4.051500       3.196028  -31.53345      60.60438 
1 1 1 17  0   25 o 251.7217 22.89177 13.84542       3.474240  16.49508       3.600015  -23.97302      49.00494 
1 1 1 17  0   26 o 315.9792 20.41052 23.05021       4.076100  23.91434       3.888961  -8.863556      42.90050 
1 1 1 17  1   0  o 315.4387 23.98978 21.20901       4.709115  23.40707       4.610358  -16.64011      49.18874 
1 1 1 17  1   1  o 464.6331 20.44367 45.90873       5.858085  50.04972       5.897879  -20.45581      41.30002 
1 1 1 17  1   2  o 353.7364 22.02298 28.10771       4.811138  27.63025       4.805931  3.115967       44.65477 
1 1 1 17  1   3  o 283.2684 25.33109 13.31622       4.266220  23.34443       4.556457  -82.37898      53.62504 
1 1 1 17  1   4  o 334.4335 22.12690 25.53671       4.592416  24.32270       4.537182  8.290833       44.92020 
1 1 1 17  1   5  o 401.6002 19.69838 35.73027       4.836252  35.86205       4.950356  -0.5286255     39.77954 
1 1 1 17  1   6  o 222.5987 28.39916 9.380992       3.742367  13.32020       3.928938  -40.81955      58.74173 
1 1 1 17  1   7  o 274.7203 24.32095 16.56732       4.022145  17.31198       4.186536  -5.839111      49.89684 
1 1 1 17  1   8  o 369.8932 19.69701 29.65375       4.426723  31.16824       4.583849  -9.116608      39.80834 
1 1 1 17  1   9  o 437.6050 17.95530 43.02300       4.844894  41.78286       4.882747  6.583313       36.18013 
1 1 1 17  1   10 o 84.74731 36.72569 0.3741007      3.521168  -0.8550403     3.607628  7.166313       61.70978 
1 1 1 17  1   11 o 233.4587 28.03737 9.508240       3.809552  15.73965       4.173743  -61.25188      58.25674 
1 1 1 17  1   12 o 95.03140 38.33434 -1.634956      3.317187  4.238351       3.674189  -52.44611      63.04018 
1 1 1 17  1   13 o 458.1879 25.57079 0.000000       0.000000  46.91016       5.118736  ?              ?        
1 1 1 17  1   14 o 189.2315 44.58317 8.046510       4.410896  9.714462       6.441034  -17.18398      83.12328 
1 1 1 17  1   15 o 508.2701 17.10685 55.51732       5.221490  59.20139       5.566973  -15.95645      34.46218 
1 1 1 17  1   16 o 304.4275 21.48572 22.04169       4.018116  19.47326       4.044733  19.77960       43.93435 
1 1 1 17  1   17 o 307.9823 20.47310 21.68109       3.888554  20.84966       3.889717  6.292145       41.71319 
1 1 1 17  1   18 o 269.8225 21.20810 17.41030       3.539640  15.47584       3.503093  16.66986       43.59695 
1 1 1 17  1   19 o 160.7500 33.04813 3.531659       3.098779  9.256604       3.279453  -68.75136      59.94958 
1 1 1 17  1   20 o 295.7388 20.65861 21.34398       3.910839  18.63922       3.636237  19.78955       42.46613 
1 1 1 17  1   21 o 102.2397 36.60332 2.507329       2.920629  2.235735       2.964947  2.326088       60.10027 
1 1 1 17  1   22 o 163.9908 32.39752 5.842783       3.125795  7.552103       3.234518  -20.59744      62.36582 
1 1 1 17  1   23 o 215.2986 29.66739 10.57961       4.775403  11.71069       3.322449  -28.48805      66.14719 
1 1 1 17  1   24 o 172.8295 42.62464 5.603955       4.732306  10.78776       4.370739  -50.65094      74.50541 
1 1 1 17  1   25 o 120.3548 51.54144 0.000000       0.000000  3.593304       4.850791  ?              ?        
1 1 1 17  1   26 o 102.8069 42.45819 2.194518       4.181144  2.618820       4.647749  -4.557610      67.81713 
1 1 1 17  2   0  o 93.37593 39.51956 2.396189       4.053982  -1.513110      3.855528  29.20719       65.92085 
1 1 1 17  2   1  o 588.7017 27.18107 77.64347       6.999861  0.000000       0.000000  ?              ?        
1 1 1 17  2   2  o 408.8078 20.40444 35.87997       5.170114  38.31793       5.146063  -13.80493      41.24161 
1 1 1 17  2   3  o 356.1410 22.06428 29.02588       4.908111  27.48199       4.794948  9.783844       44.72359 
1 1 1 17  2   4  o 169.9857 39.55708 7.381855       4.101067  6.262748       4.084008  12.10046       71.93123 
1 1 1 17  2   5  o 435.5580 18.97408 44.21022       5.228432  40.07453       5.007189  21.42520       38.25487 
1 1 1 17  2   6  o 396.0067 19.22348 33.63109       4.689837  35.97008       4.726707  -13.53979      38.81520 
1 1 1 17  2   7  o 363.8813 19.56413 28.93482       4.395849  29.87004       4.403842  -5.916534      39.54361 
1 1 1 17  2   8  o 260.8652 24.25957 16.62661       3.866303  13.89354       3.895250  24.79880       50.17717 
1 1 1 17  2   9  o 179.3150 33.18985 10.61199       3.598678  4.453959       3.514542  70.83728       62.32907 
1 1 1 17  2   10 o 399.5349 18.33348 32.80700       4.446668  38.15178       4.621708  -30.44537      36.99873 
1 1 1 17  2   11 o 396.7806 18.82592 36.84308       4.760571  33.17492       4.491981  20.75974       37.97792 
1 1 1 17  2   12 o 133.5068 40.32285 4.315676       3.585228  3.891054       3.655055  3.986145       68.43885 
1 1 1 17  2   13 o 523.9680 17.16764 58.72984       5.492672  62.77507       5.655776  -17.45764      34.52332 
1 1 1 17  2   14 o 299.3160 31.97511 20.36045       4.133062  0.000000       0.000000  ?              ?        
1 1 1 17  2   15 o 174.9226 34.46278 5.836579       3.489391  8.673306       3.736077  -32.95654      65.41269 
1 1 1 17  2   16 o 194.9073 31.06965 10.27113       3.565669  7.201797       3.698916  35.70941       62.48186 
1 1 1 17  2   17 o 139.1229 38.19189 4.460897       3.351508  4.821841       3.441778  -4.385773      66.36826 
1 1 1 17  2   18 f 292.4731 21.05743 17.50628       3.720580  21.13555       3.873682  -28.35660      43.13918 
1 1 1 17  2   19 o 102.6582 37.19254 1.509753       2.983566  2.946312       3.118280  -15.17789      61.20681 
1 1 1 17  2   20 o 145.9927 35.23680 4.485584       3.147221  6.020892       3.161659  -18.49899      63.38759 
1 1 1 17  2   21 o 304.8650 23.08080 21.80077       5.330744  21.26511       3.743441  -8.727081      51.85812 
1 1 1 17  2   22 o 95.75480 40.33009 2.680855       4.282286  -0.3020121     3.908093  22.31560       66.30997 
1 1 1 17  2   23 o 214.6235 36.88330 12.36907       4.798210  11.25228       4.671430  10.10298       75.20960 
1 1 1 17  2   24 o 302.0725 27.81157 22.98915       5.164069  21.31402       5.141846  13.39307       60.17268 
1 1 1 17  2   25 f 135.1274 38.83714 4.512902       3.077956  5.848493       3.933281  -12.08055      67.15068 
1 1 1 17  2   26 o 109.9063 41.33947 -0.1148020     3.977845  6.227448       3.693921  -46.07454      64.83697 
1 1 1 17  2   27 o 104.7872 40.24970 3.434481       3.866939  2.547747       3.510912  7.676056       64.48475 
1 1 1 17  3   0  o 139.4211 42.81606 1.820222       4.067782  7.251017       4.049263  -51.88760      70.32726 
1 1 1 17  3   1  o 162.9474 44.62971 2.506183       4.611282  10.26587       4.675645  -73.09653      74.00843 
1 1 1 17  3   2  o 615.8233 18.35139 86.23267       7.116140  81.72334       6.894239  16.44629       36.90979 
1 1 1 17  3   3  o 152.6320 41.80899 10.85821       4.218405  0.7880768      3.944389  100.6125       66.25620 
1 1 1 17  3   4  o 424.4417 19.93285 40.86106       5.348573  39.13491       5.125470  8.945251       40.22885 
1 1 1 17  3   5  o 89.85516 38.18851 -0.1666389     3.729020  0.5133033      3.702059  -4.392616      63.84666 
1 1 1 17  3   6  o 286.8999 23.65776 17.84650       4.173281  18.99637       4.172694  -9.385590      48.40427 
1 1 1 17  3   7  o 138.2905 39.54742 4.773703       3.606090  4.182780       3.521705  6.835724       67.98012 
1 1 1 17  3   8  o 473.1659 17.89040 50.12772       5.227756  48.99458       5.255627  5.550201       36.02587 
1 1 1 17  3   9  o 173.2169 34.50692 8.336908       3.587472  5.673691       3.567585  31.20413       65.20104 
1 1 1 17  3   10 o 289.8616 22.33201 17.26781       3.936369  20.33590       4.034478  -24.41867      45.63248 
1 1 1 17  3   11 o 398.3943 18.42715 33.67968       4.501822  36.72840       4.582466  -17.46478      37.17532 
1 1 1 17  3   12 o 216.3591 28.86283 10.59829       3.796351  10.68954       3.758327  -1.120636      59.41903 
1 1 1 17  3   13 o 329.9156 24.11041 15.23437       5.918944  29.05904       4.273832  -109.4958      61.71941 
1 1 1 17  3   14 o 201.0672 42.02866 9.553561       3.587171  0.000000       0.000000  ?              ?        
1 1 1 17  3   15 o 449.9214 18.15650 44.69813       4.988405  45.02907       5.128484  -1.428192      36.59680 
1 1 1 17  3   16 o 433.4144 17.16722 45.20518       4.630420  38.15369       4.582710  37.33823       34.70197 
1 1 1 17  3   17 o 282.8229 21.22461 14.60352       3.510226  22.07159       3.915970  -59.89478      43.65891 
1 1 1 17  3   18 o 126.1628 37.31136 4.160397       3.167118  3.424086       3.083009  8.751419       63.58665 
1 1 1 17  3   19 o 240.8002 23.86297 12.70653       3.521054  13.73209       3.514274  -10.17754      49.65660 
1 1 1 17  3   20 o 100.1143 41.79363 0.7058934      4.477998  1.362891       4.186179  -1.435135      68.77070 
1 1 1 17  3   21 o 354.6175 25.18616 27.05151       5.541001  31.13009       5.468338  -27.92694      52.62291 
1 1 1 17  3   22 o 82.96806 37.58245 -5.054259      4.064341  3.867329       4.271959  -50.08707      63.69812 
1 1 1 17  3   23 o 94.88361 38.15531 0.1491885      2.998028  4.315815       4.153791  -41.00414      64.13499 
1 1 1 17  3   24 o 148.4601 41.72115 5.363096       4.195963  6.701056       3.830429  -13.74414      71.59536 
1 1 1 17  3   25 o 96.48730 39.56799 4.445618       3.989949  -0.3450237     3.604808  35.02528       64.18280 
1 1 1 17  3   26 o 82.87601 34.45020 1.444658       3.878247  0.9496947      2.439566  15.34122       57.67580 
1 1 1 17  3   27 o 68.06478 30.74747 1.891938       2.991997  -1.994101      2.582595  29.58887       52.01595 
1 1 1 17  4   0  o 557.6218 18.74134 67.44040       6.458097  70.65278       6.489014  -13.18066      37.78229 
1 1 1 17  4   1  o 405.4203 21.08844 36.09105       5.301938  37.06333       5.268843  -5.617615      42.66809 
1 1 1 17  4   2  o 175.7711 41.12096 7.690984       4.493057  6.965147       4.318974  7.784134       74.77566 
1 1 1 17  4   3  o 414.7234 20.68421 35.28995       5.261323  41.16006       5.348669  -32.47672      41.85669 
1 1 1 17  4   4  o 222.6047 31.65289 12.21338       4.172954  10.36056       4.326797  19.76846       64.92957 
1 1 1 17  4   5  o 450.1026 19.06301 49.02381       5.418966  41.07860       5.208284  40.20053       38.47313 
1 1 1 17  4   6  o 494.1637 17.74830 54.26541       5.437385  53.81137       5.426088  2.091125       35.71952 
1 1 1 17  4   7  o 801.6218 17.60842 141.1816       8.777877  142.8383       8.734301  -4.802246      35.41616 
1 1 1 17  4   8  o 256.0058 25.07691 14.54608       3.931418  14.91549       3.931241  -3.406113      51.66722 
1 1 1 17  4   9  f 172.2678 34.92630 6.011498       3.628832  7.824836       3.580403  -21.20518      65.93637 
1 1 1 17  4   10 o 323.7280 20.54509 22.79259       4.139932  23.82612       4.069924  -7.565613      41.68345 
1 1 1 17  4   11 o 607.3474 16.67317 82.14107       6.255164  80.89867       6.296396  4.751160       33.51271 
1 1 1 17  4   12 o 432.7488 17.92519 41.40818       4.828273  41.51984       4.775119  -0.6860657     36.11102 
1 1 1 17  4   13 o 402.2849 26.11489 0.000000       0.000000  36.21181       4.583210  ?              ?        
1 1 1 17  4   14 o 278.9174 26.80323 17.44476       3.907722  17.63484       5.788876  4.911713       60.16087 
1 1 1 17  4   15 o 307.6150 22.84030 22.13807       4.392270  20.20214       4.265108  14.31061       46.54272 
1 1 1 17  4   16 o 85.25091 36.23046 1.096323       3.262240  -0.8418695     3.432293  11.85424       60.42006 
1 1 1 17  4   17 o 106.6383 38.51371 2.183753       3.206915  2.370000       3.328234  -2.970673      63.62561 
1 1 1 17  4   18 o 333.4853 18.86424 23.46408       3.800949  26.32279       3.978084  -19.28381      38.25871 
1 1 1 17  4   19 o 137.9514 39.90732 6.327120       4.241218  3.673098       3.194435  31.17763       69.35424 
1 1 1 17  4   20 o 290.4283 29.13334 20.50513       5.214440  18.76299       5.141968  13.91885       61.37566 
1 1 1 17  4   21 o 103.0356 42.25585 5.290915       4.602745  -1.433224      4.074333  49.94305       69.42900 
1 1 1 17  4   22 o 141.2770 36.48522 5.235697       3.158438  4.950594       3.284573  3.404922       64.59454 
1 1 1 17  4   23 o 72.08292 33.63704 0.1060957      3.800320  -3.463622      3.607481  19.87701       57.58241 
1 1 1 17  4   24 o 129.5973 41.35817 2.866897       3.841371  6.096175       3.664604  -29.54852      67.95141 
1 1 1 17  4   25 o 225.9343 25.18914 9.045666       4.298464  13.89355       2.988774  -69.17207      60.26936 
1 1 1 17  4   26 o 106.3913 35.32010 2.481718       2.814101  3.416610       2.636133  -9.328308      58.17469 
1 1 1 17  4   27 o 90.85090 34.32398 2.320747       2.794090  1.709325       2.518448  7.366737       55.70060 
1 1 1 17  4   28 o 184.1792 30.14747 10.32358       4.156774  8.145283       2.851369  4.832977       64.73808 
1 1 1 17  5   0  o 75.46815 35.22522 -2.253772      4.025329  -2.737788      4.099161  1.352814       60.93370 
1 1 1 17  5   1  o 153.2826 42.66953 5.333714       4.133016  5.865726       4.282797  -5.912460      73.87793 
1 1 1 17  5   2  o 425.9281 21.58042 40.03273       5.574382  40.68494       5.798701  -3.053314      43.65109 
1 1 1 17  5   3  o 512.5653 18.90068 57.68002       5.939541  58.66147       6.060843  -4.201324      38.05309 
1 1 1 17  5   4  o 535.2574 18.58936 59.67438       6.013150  67.50700       6.324381  -33.07318      37.40881 
1 1 1 17  5   5  o 762.0720 18.07094 129.6742       8.600074  127.0127       8.486378  7.840637       36.35187 
1 1 1 17  5   6  o 95.21783 39.11500 2.201144       3.759807  -0.5446560     3.652183  22.00900       64.90057 
1 1 1 17  5   7  o 152.9240 39.71906 4.692548       3.783353  6.367437       3.819072  -18.30853      69.81007 
1 1 1 17  5   8  o 494.6330 17.50731 55.16415       5.363597  53.09893       5.363036  9.585571       35.23637 
1 1 1 17  5   9  o 345.8091 20.13663 29.42171       4.395872  23.96839       4.211776  36.02811       40.84138 
1 1 1 17  5   10 o 150.5980 38.13166 6.608221       3.616255  4.158666       3.516245  27.96317       67.20283 
1 1 1 17  5   11 o 278.9840 23.10508 19.35029       4.058970  15.64733       3.873022  30.48276       47.36626 
1 1 1 17  5   12 o 661.7715 16.71680 98.85801       6.928036  94.77061       6.787968  13.94562       33.58869 
1 1 1 17  5   13 o 190.5354 45.45859 0.000000       0.000000  8.668095       3.745978  ?              ?        
1 1 1 17  5   14 o 201.0302 30.45430 7.384364       3.696080  11.07888       3.662047  -41.80904      61.62254 
1 1 1 17  5   15 o 320.2790 20.65580 19.50817       4.028370  26.33506       4.137669  -49.21176      42.29414 
1 1 1 17  5   16 o 302.0622 22.57796 21.96658       4.210606  18.87472       4.189371  23.83572       46.19827 
1 1 1 17  5   17 o 120.2249 38.74630 1.955464       3.273917  4.631369       3.296884  -28.08894      64.28845 
1 1 1 17  5   18 o 265.9997 22.11919 12.26177       3.527355  19.98894       3.713380  -67.63036      46.62438 
1 1 1 17  5   19 o 184.1127 40.40741 12.04959       4.445335  4.375274       4.531857  76.86545       71.60936 
1 1 1 17  5   20 o 302.9201 27.20778 21.33518       4.916649  20.94740       5.212600  4.996277       56.96094 
1 1 1 17  5   21 o 147.2534 39.28399 4.747866       3.135772  6.970390       4.562037  -23.83746      70.64761 
1 1 1 17  5   22 o 126.1570 43.67717 8.427751       4.315858  0.2216264      4.027281  69.70179       69.27209 
1 1 1 17  5   23 o 195.4558 36.34619 8.161077       4.293235  11.09484       4.197675  -32.22707      71.41547 
1 1 1 17  5   24 o 94.13559 37.18469 1.780200       4.129684  1.711213       2.714803  11.63986       61.88631 
1 1 1 17  5   25 o 169.6112 28.28137 4.109885       2.907869  10.00359       2.835230  -75.01265      55.11430 
1 1 1 17  5   26 f 135.1785 31.26664 5.441301       2.790013  4.218499       2.394372  14.07753       57.70197 
1 1 1 17  5   27 o 159.3910 28.34535 3.804358       2.790762  8.842564       2.617358  -67.10968      54.27338 
1 1 1 17  5   28 o 111.4852 34.09396 1.760785       2.740608  4.813066       2.439251  -34.11814      55.68121 
1 1 1 17  6   0  o 131.4603 42.91018 2.700072       4.111933  5.127784       3.937780  -21.37843      71.22127 
1 1 1 17  6   1  o 276.1932 26.76161 15.76072       4.502130  18.76699       4.553580  -25.57208      55.52846 
1 1 1 17  6   2  o 315.2063 24.69035 22.87645       4.757048  21.64556       4.821970  9.334564       50.51371 
1 1 1 17  6   3  o 276.5493 27.76454 18.26635       4.678758  16.18789       4.718735  17.92346       57.49688 
1 1 1 17  6   4  o 221.3636 32.32484 11.09405       4.257389  11.32796       4.360112  -2.124969      65.94021 
1 1 1 17  6   5  o 159.6298 40.96288 8.442610       4.010753  3.418691       4.144729  51.50455       70.43014 
1 1 1 17  6   6  o 595.4804 17.77940 78.99352       6.536852  77.81306       6.583712  4.617004       35.75213 
1 1 1 17  6   7  o 105.8491 40.84661 2.225606       3.785426  1.303635       3.811337  7.252342       67.42005 
1 1 1 17  6   8  o 525.1906 17.57784 59.50565       5.670979  62.58388       5.767346  -13.29510      35.36405 
1 1 1 17  6   9  o 225.3545 28.05089 10.77158       3.770076  12.32129       3.906868  -15.70224      57.98481 
1 1 1 17  6   10 o 381.4541 19.26470 34.67307       4.596017  30.00904       4.493186  27.98389       38.95580 
1 1 1 17  6   11 o 221.9538 27.49363 9.913048       3.623837  12.53784       3.790852  -27.22585      56.86354 
1 1 1 17  6   12 o 332.4125 21.58821 23.16219       4.416791  26.07779       4.438210  -20.30145      43.88288 
1 1 1 17  6   13 o 384.3953 20.47207 29.78057       5.147592  35.27785       4.622520  -34.33109      42.24631 
1 1 1 17  6   14 o 280.0487 23.62121 19.49030       4.209942  15.85453       3.934526  29.53061       48.37827 
1 1 1 17  6   15 o 696.7197 16.61211 110.6656       7.353386  104.0466       7.017545  21.26569       33.41280 
1 1 1 17  6   16 o 590.5219 16.81243 76.74427       6.183735  77.56422       6.121425  -3.292236      33.81588 
1 1 1 17  6   17 o 188.7421 30.09098 6.591438       3.367649  9.944175       3.443341  -39.52405      60.24413 
1 1 1 17  6   18 o 243.5386 23.15302 11.59767       3.453564  15.20016       3.457937  -35.03967      48.37939 
1 1 1 17  6   19 o 168.5521 42.92062 4.353415       4.182177  10.68321       4.900679  -62.73369      74.76380 
1 1 1 17  6   20 o 143.9627 44.53898 7.196782       4.224372  2.782138       4.558564  38.33095       73.59678 
1 1 1 17  6   21 o 191.0449 32.45552 7.716663       3.082567  11.53988       4.990010  -30.58246      68.17449 
1 1 1 17  6   22 o 375.7569 23.22178 34.85878       5.607680  30.59233       5.189250  23.63745       48.01831 
1 1 1 17  6   23 o 254.2370 28.64291 15.88733       4.620787  15.13008       4.276585  3.442368       61.51761 
1 1 1 17  6   24 o 83.58627 33.87347 -0.2822418     2.858968  2.253599       2.622187  -18.80512      55.01082 
1 1 1 17  6   25 o 260.3329 19.37653 15.89626       3.191711  15.52015       3.028091  1.809845       40.36927 
1 1 1 17  6   26 o 120.9053 34.09487 3.419776       2.798306  4.347015       2.552630  -11.35027      58.50961 
1 1 1 17  6   27 o 164.4185 35.37822 0.000000       0.000000  7.406591       2.475752  ?              ?        
1 1 1 17  6   28 o 91.77619 33.40429 0.6304614      2.614563  3.389332       2.335283  -25.74445      53.32434 
1 1 1 17  7   0  o 223.4706 32.06728 8.922675       4.243811  14.44763       4.396403  -56.26720      65.74523 
1 1 1 17  7   1  o 198.9930 48.43928 0.000000       0.000000  9.698724       4.187643  ?              ?        
1 1 1 17  7   2  o 98.71745 40.40821 -0.8698948E-01 3.864410  2.080290       4.011696  -17.54034      66.98891 
1 1 1 17  7   3  o 320.4870 26.96785 19.52831       5.220813  26.91160       5.407390  -53.55466      55.95799 
1 1 1 17  7   4  f 434.2040 20.09860 46.04509       5.496633  37.87298       5.305988  42.97672       40.63887 
1 1 1 17  7   5  o 377.2006 21.58076 30.62782       4.997342  32.64671       5.060262  -12.24234      43.67475 
1 1 1 17  7   6  o 242.6840 29.80909 11.29125       4.303288  15.60793       4.489347  -41.23491      61.83902 
1 1 1 17  7   7  o 508.6481 18.34456 59.62940       5.795677  54.91337       5.761847  21.23965       36.94691 
1 1 1 17  7   8  o 841.9556 18.20223 162.8739       9.664606  150.9297       9.356307  32.04083       36.61216 
1 1 1 17  7   9  o 808.0283 17.71602 143.6420       8.795116  144.9763       8.967227  -3.526855      35.63460 
1 1 1 17  7   10 o 789.9733 17.59240 142.0316       8.733625  134.0071       8.512474  22.94354       35.38369 
1 1 1 17  7   11 o 819.6026 17.85408 152.4623       9.080289  144.5242       9.074335  22.19385       35.92411 
1 1 1 17  7   12 o 849.5732 17.88584 166.7316       9.576185  152.7773       9.282629  37.18719       35.97279 
1 1 1 17  7   13 o 163.5377 37.73382 6.077711       3.739632  6.516817       3.760681  -4.997131      68.84840 
1 1 1 17  7   14 o 510.2375 17.26064 57.83939       5.441069  57.30833       5.469669  2.433746       34.72174 
1 1 1 17  7   15 f 204.2474 30.12481 8.089536       3.627757  11.12978       3.781702  -33.61937      61.20097 
1 1 1 17  7   16 o 123.7774 41.88861 0.6866817      3.792705  6.103018       3.858028  -50.81619      67.86693 
1 1 1 17  7   17 o 209.0153 28.32378 9.661736       3.637425  10.32614       3.521300  -7.942505      58.48072 
1 1 1 17  7   18 o 328.7837 19.07938 22.38412       3.893090  25.84227       3.856268  -24.51898      38.85309 
1 1 1 17  7   19 o 182.7843 39.44254 7.020438       4.225112  9.351685       4.466544  -24.17622      73.54067 
1 1 1 17  7   20 o 137.6356 43.39496 6.320268       4.066220  2.862400       4.216050  31.18149       71.94018 
1 1 1 17  7   21 o 195.3341 31.31005 8.215027       3.053693  11.41063       4.902939  -23.47708      66.83774 
1 1 1 17  7   22 o 115.0678 42.46103 3.177325       4.019152  2.924786       3.983399  2.229309       69.26479 
1 1 1 17  7   23 o 117.0067 41.91803 7.163665       4.238163  0.7332321      3.567427  57.23617       68.07204 
1 1 1 17  7   24 o 144.9215 31.39883 4.778614       2.819066  5.712090       2.669002  -12.96561      58.74572 
1 1 1 17  7   25 o 211.3958 22.10176 13.33733       3.069930  8.408612       2.680511  51.36255       47.11448 
1 1 1 17  7   26 o 235.5879 20.21806 13.91468       3.083623  12.33496       2.790528  12.50284       42.69625 
1 1 1 17  7   27 o 81.01368 32.51752 2.110690       2.689898  0.6368881      2.332379  16.07426       53.07574 
1 1 1 17  7   28 o 75.29597 30.95276 1.417497       2.469270  0.6194127      2.198361  9.499748       50.41369 
1 1 1 17  7   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  8   0  o 166.8225 40.17271 4.291369       3.998570  9.523008       4.225365  -55.04057      70.74317 
1 1 1 17  8   1  o 313.4642 23.92563 22.83622       4.632076  21.40970       4.602358  10.55057       49.00698 
1 1 1 17  8   2  o 199.9599 41.45830 8.123158       5.818766  10.36503       4.414274  -22.41611      78.90972 
1 1 1 17  8   3  o 226.9081 32.08415 12.33571       4.465483  11.34198       4.318573  9.628311       65.86744 
1 1 1 17  8   4  o 500.0725 20.11494 55.90677       6.237551  55.05482       6.216558  3.880463       40.55559 
1 1 1 17  8   5  o 257.5945 28.41421 15.24092       4.512172  14.74505       4.419258  4.230927       58.80830 
1 1 1 17  8   6  o 306.6183 24.16887 21.50217       4.552887  20.51541       4.566776  7.554657       49.33894 
1 1 1 17  8   7  o 511.5344 18.63478 59.39099       5.953794  56.48103       5.853914  12.90356       37.50950 
1 1 1 17  8   8  o 421.5581 19.95433 37.02773       5.147591  41.91600       5.260796  -26.49820      40.30235 
1 1 1 17  8   9  o 351.0894 21.86418 31.34376       4.881902  23.96675       4.606341  47.97647       44.49070 
1 1 1 17  8   10 o 270.9095 25.39213 20.26970       4.302681  12.97888       4.137063  62.96545       53.38382 
1 1 1 17  8   11 f 305.1027 23.22421 24.24724       4.414332  17.50307       4.312304  51.38992       47.98490 
1 1 1 17  8   12 o 459.3780 18.39882 44.87735       5.175811  48.67295       5.290786  -18.78952      37.06714 
1 1 1 17  8   13 o 309.5642 22.40938 19.88836       4.267513  22.88046       4.280758  -22.47775      45.72952 
1 1 1 17  8   14 o 349.6990 20.43181 26.43640       4.414691  27.93414       4.411057  -9.914734      41.37298 
1 1 1 17  8   15 o 145.2102 39.71651 3.706625       3.609209  6.346256       3.755198  -29.15216      68.53072 
1 1 1 17  8   16 o 113.6272 41.79353 4.913490       3.824609  -0.8029751E-01 3.919276  41.56989       67.69168 
1 1 1 17  8   17 o 352.0370 19.33565 28.18136       4.151099  27.01408       4.263606  7.981415       39.20838 
1 1 1 17  8   18 o 252.9342 23.22119 12.94314       3.527551  16.09470       3.683055  -28.71181      48.04959 
1 1 1 17  8   19 o 282.0320 25.03138 21.37840       5.519073  16.63665       3.684654  29.30151       54.23808 
1 1 1 17  8   20 o 258.6851 30.69630 19.47476       4.958551  12.22093       4.710682  65.22827       65.19733 
1 1 1 17  8   21 o 214.7518 35.34319 7.849775       4.429071  14.93289       4.669661  -70.97598      70.29901 
1 1 1 17  8   22 o 235.0215 31.76155 14.42623       4.725638  12.43107       4.325054  16.27235       67.28057 
1 1 1 17  8   23 o 382.9218 22.78214 30.09235       5.382965  37.96197       5.391200  -48.74011      47.70764 
1 1 1 17  8   24 o 415.8398 15.74163 39.65099       4.159798  38.49651       3.954556  5.173676       32.05042 
1 1 1 17  8   25 o 195.6180 23.74565 7.218266       2.889316  10.89371       2.760115  -46.93436      51.40575 
1 1 1 17  8   26 o 185.4740 24.40602 9.939886       2.959222  7.202897       2.563112  29.54372       51.97701 
1 1 1 17  8   27 o 132.4661 32.95042 4.513468       2.826878  4.894065       2.582485  -6.079605      59.10306 
1 1 1 17  8   28 o 56.06831 26.40982 -1.562851      2.456777  -0.9435132     2.298340  -1.253265      44.74376 
1 1 1 17  8   29 o 60.01348 28.01974 1.305831       3.195395  -2.019794      2.213176  29.83504       49.42969 
1 1 1 17  9   0  o 252.4570 29.36183 15.90606       4.631823  13.65837       4.401933  19.87349       61.51525 
1 1 1 17  9   1  o 295.0986 25.33987 19.71294       4.509716  19.75650       4.682648  0.4346924      52.29850 
1 1 1 17  9   2  o 243.9799 29.69957 14.14165       4.354624  13.11493       4.451799  10.46216       61.90879 
1 1 1 17  9   3  o 399.2503 20.99960 37.25005       5.216192  33.86686       5.149536  19.42502       42.55349 
1 1 1 17  9   4  o 132.3618 43.21625 0.3600554E-01  4.004887  8.168348       4.158397  -75.61162      68.45856 
1 1 1 17  9   5  o 347.4143 24.53919 25.35114       5.115256  28.83291       5.405489  -22.52344      49.97860 
1 1 1 17  9   6  o 388.7410 21.30059 30.67055       4.930520  36.99400       5.326110  -36.65964      43.08782 
1 1 1 17  9   7  o 99.70912 40.52081 0.3602064      3.775856  1.796552       4.089977  -14.41691      67.34668 
1 1 1 17  9   8  o 419.8900 23.16385 44.14487       7.336696  36.78280       5.213407  35.31631       48.48790 
1 1 1 17  9   9  o 662.4802 18.00619 98.34005       7.417705  95.76627       7.368116  8.833618       36.19749 
1 1 1 17  9   10 o 270.0716 27.43132 16.77616       4.601798  16.11711       4.465101  5.297607       56.65004 
1 1 1 17  9   11 o 757.9974 17.81461 131.8934       8.551644  122.4171       8.211611  28.13947       35.83582 
1 1 1 17  9   12 o 137.8182 41.91014 3.461057       3.898447  5.313567       3.903501  -18.52490      70.77710 
1 1 1 17  9   13 o 708.8619 17.34580 108.6821       7.549321  113.4511       7.707801  -15.18396      34.89537 
1 1 1 17  9   14 o 186.1099 35.08050 7.783303       3.962631  8.337003       3.843043  -6.394669      67.87217 
1 1 1 17  9   15 o 97.53731 44.82595 0.000000       0.000000  -2.738390      4.388954  ?              ?        
1 1 1 17  9   16 o 290.2586 23.50304 14.90859       4.084528  23.38713       4.316327  -67.72348      49.14051 
1 1 1 17  9   17 o 522.7625 17.03991 59.31332       5.428708  62.04367       5.612535  -11.59045      34.33166 
1 1 1 17  9   18 o 204.3126 35.08122 7.833026       4.221778  12.01366       4.353382  -44.13562      69.26034 
1 1 1 17  9   19 o 200.0040 28.80248 9.527718       3.428710  9.055067       3.513935  5.953308       59.33113 
1 1 1 17  9   20 f 75.24167 35.36344 -3.649884      4.065838  -1.427855      4.381309  -14.03560      61.18605 
1 1 1 17  9   21 o 169.2355 43.64490 8.960748       4.668700  5.889679       4.556538  29.42624       76.79708 
1 1 1 17  9   22 o 252.8761 27.18863 10.77225       3.614301  23.99504       5.203300  -104.9872      57.38050 
1 1 1 17  9   23 o 99.70373 41.08929 1.752130       4.125392  1.549781       4.085733  1.609566       66.72021 
1 1 1 17  9   24 o 131.0602 37.56953 1.463997       4.010826  5.983300       2.755534  -41.68003      61.82932 
1 1 1 17  9   25 o 120.7079 33.77561 2.155877       2.636291  5.495141       2.619777  -40.38561      56.76020 
1 1 1 17  9   26 o 100.7155 34.46686 2.801841       2.666915  2.550138       2.520514  3.195633       56.56480 
1 1 1 17  9   27 o 194.5066 22.51254 8.945297       2.774729  9.283241       2.569475  -7.383682      48.67105 
1 1 1 17  9   28 f 100.1702 33.46210 2.770437       2.628393  2.784402       2.289167  0.4148560      55.05109 
1 1 1 17  9   29 o 77.96036 31.65684 4.087621       2.628960  -0.7267799     2.210114  45.73313       51.53716 
1 1 1 17  10  0  o 208.4609 34.40544 10.96929       4.329989  9.740761       4.258865  12.79814       69.40921 
1 1 1 17  10  1  o 96.95447 43.37303 0.000000       0.000000  -0.9535062     3.785399  ?              ?        
1 1 1 17  10  2  o 252.3290 27.74991 12.92653       4.236293  16.23556       4.308503  -30.88211      58.09884 
1 1 1 17  10  3  o 482.0012 19.38829 50.61734       5.766533  52.81593       5.804008  -10.41916      39.16152 
1 1 1 17  10  4  o 469.6941 19.45696 46.71041       5.564116  51.54511       5.754116  -23.26492      39.28328 
1 1 1 17  10  5  o 207.3859 34.00273 11.94569       4.200207  7.951274       4.245854  42.81813       67.74435 
1 1 1 17  10  6  o 127.5010 46.10642 1.689613       4.629251  4.902081       4.737312  -26.33237      75.80303 
1 1 1 17  10  7  o 80.39794 37.25280 1.709018       4.333184  -6.942314      4.501744  40.83285       64.57424 
1 1 1 17  10  8  o 496.7603 19.30413 56.37541       5.845345  52.86787       6.033649  16.57156       38.97401 
1 1 1 17  10  9  o 75.22531 34.74818 -0.1213408     3.741250  -4.068695      3.856596  19.57507       60.01876 
1 1 1 17  10  10 o 126.3694 49.11734 2.548960       3.904600  0.000000       0.000000  ?              ?        
1 1 1 17  10  11 f 86.31361 37.85744 0.2365595      3.870978  -1.284800      3.899709  9.218063       63.84487 
1 1 1 17  10  12 o 99.07800 40.14007 4.105605       3.821126  -2.030007      3.851805  46.10640       65.50510 
1 1 1 17  10  13 o 459.3758 18.48678 45.26347       5.149316  48.38812       5.372246  -15.22479      37.25023 
1 1 1 17  10  14 x ?        ?        -10.90003      4.066581  -12.06911      4.036541  2.832523       46.12125 
1 1 1 17  10  15 o 334.5400 32.47498 25.53566       4.705505  0.000000       0.000000  ?              ?        
1 1 1 17  10  16 o 111.8764 40.12919 2.735287       3.505038  2.345541       3.572994  2.947327       66.28197 
1 1 1 17  10  17 o 425.6877 17.85667 38.41313       4.596800  42.38483       4.820817  -20.90289      36.05784 
1 1 1 17  10  18 o 233.2009 25.84023 12.47725       3.599402  12.35553       3.756372  2.091232       53.89593 
1 1 1 17  10  19 o 240.9463 24.19590 13.73587       3.550549  12.74325       3.584730  10.01085       50.39991 
1 1 1 17  10  20 o 69.34113 32.06120 -0.1508236     3.182796  -3.071253      3.309875  14.58633       54.89490 
1 1 1 17  10  21 o 247.3188 33.70731 13.16621       4.915631  16.48656       5.167451  -29.62996      71.11330 
1 1 1 17  10  22 o 224.5668 36.48198 10.77969       4.778831  14.65993       5.047822  -36.30254      74.77672 
1 1 1 17  10  23 o 96.23711 39.68709 1.083319       4.017953  1.834914       3.672133  -2.309204      64.51198 
1 1 1 17  10  24 o 162.6226 40.19129 12.43521       4.370000  3.221129       3.760095  90.02335       68.03842 
1 1 1 17  10  25 o 80.20030 32.94870 -0.8692963     2.767753  2.526346       2.509378  -25.22192      53.15585 
1 1 1 17  10  26 o 173.4440 26.56853 8.570575       2.958702  6.672898       2.609351  20.25183       55.57669 
1 1 1 17  10  27 o 62.30083 28.56271 -2.013925      2.657259  0.4448237      2.366559  -11.32208      47.64996 
1 1 1 17  10  28 o 92.05001 33.86414 0.9107582      2.667790  3.385774       2.432009  -22.47735      54.03017 
1 1 1 17  10  29 o 78.13882 32.08994 0.3748200      2.697622  1.916596       2.328259  -9.549576      51.35734 
1 1 1 17  11  0  o 178.6229 38.26191 8.267090       4.152223  7.477510       4.072672  8.333969       71.85589 
1 1 1 17  11  1  o 98.23745 40.20502 3.337111       3.933677  -0.9496515     3.858787  31.69425       66.02080 
1 1 1 17  11  2  o 85.88017 37.89970 0.8160791      3.988489  -1.726452      3.911938  16.30304       63.71217 
1 1 1 17  11  3  o 298.5753 25.31791 24.35575       4.823784  16.59843       4.484766  59.65540       52.76208 
1 1 1 17  11  4  o 126.7794 42.92855 5.309954       4.169429  2.101981       3.880611  31.14741       70.97005 
1 1 1 17  11  5  o 469.0138 19.58576 51.53244       5.774901  46.49442       5.600544  24.32852       39.56264 
1 1 1 17  11  6  o 112.3890 42.19275 4.166536       3.961543  0.3881189      4.005954  30.58928       68.95095 
1 1 1 17  11  7  o 139.4952 42.84538 4.993259       4.022148  4.034641       4.106891  8.808044       72.37593 
1 1 1 17  11  8  o 240.5135 32.70294 13.64736       4.788662  12.89126       4.717846  7.089691       67.44937 
1 1 1 17  11  9  o 401.9910 22.10325 39.42426       5.615077  32.84825       5.373915  37.24017       44.81650 
1 1 1 17  11  10 x ?        ?        -14.08096      4.261880  -10.65197      4.136593  -5.095112      46.50450 
1 1 1 17  11  11 o 303.4073 25.61623 20.61249       4.877051  20.72362       4.681403  -1.486877      52.57259 
1 1 1 17  11  12 o 50.51852 25.63491 -11.43634      4.283422  -10.01701      4.046513  0.6217194E-01  48.13763 
1 1 1 17  11  13 o 357.4366 22.72969 30.05391       5.048378  27.05872       4.979608  19.27277       46.21662 
1 1 1 17  11  14 o 60.32158 29.85910 -7.769712      4.238596  -5.449870      4.079352  -5.243217      54.26860 
1 1 1 17  11  15 o 258.9508 36.53550 15.61340       4.034679  0.000000       0.000000  ?              ?        
1 1 1 17  11  16 o 170.3692 36.79392 9.183848       3.820747  4.754737       3.730098  49.64342       67.14640 
1 1 1 17  11  17 o 324.3945 20.69821 23.57298       4.141809  23.59933       4.144885  -0.1781311     42.12806 
1 1 1 17  11  18 o 334.7693 20.00899 24.34805       4.104645  25.95204       4.168480  -10.89597      40.71331 
1 1 1 17  11  19 o 123.6355 39.00475 3.080054       3.338723  4.245338       3.348286  -12.15769      65.38721 
1 1 1 17  11  20 o 81.57076 35.17581 1.043953       3.312320  -0.7060028     3.167388  14.13914       58.61090 
1 1 1 17  11  21 o 73.60497 34.05250 -1.788297      4.357055  -1.497083      3.227705  12.56792       58.77239 
1 1 1 17  11  22 o 129.8704 46.39427 2.648418       4.703156  6.160396       4.746335  -26.25652      75.15399 
1 1 1 17  11  23 o 175.2151 35.36511 8.992772       3.180468  5.527439       4.644673  44.34921       67.32874 
1 1 1 17  11  24 o 165.9698 43.00663 5.063156       4.540533  10.14114       4.389984  -48.25455      74.18841 
1 1 1 17  11  25 o 85.35777 36.48533 2.161456       4.651872  0.4131697      2.837494  24.35117       61.93658 
1 1 1 17  11  26 o 168.0162 29.46936 8.192752       3.188001  6.569438       2.773954  15.37067       59.91784 
1 1 1 17  11  27 o 112.5783 35.16466 4.764280       2.949198  2.654204       2.544012  22.82310       58.84571 
1 1 1 17  11  28 o 73.43344 31.77185 2.381867       2.841100  -0.7134749     2.507094  24.85584       52.06519 
1 1 1 17  11  29 o 69.86701 30.63812 1.546258       2.737384  -0.3825884     2.385980  16.40999       50.15104 
1 1 1 17  12  0  f 162.2106 53.58286 8.762674       6.337338  5.560013       6.193158  22.55307       88.19920 
1 1 1 17  12  1  o 200.4715 38.61202 8.244166       4.567448  11.57860       4.689962  -33.78343      74.55723 
1 1 1 17  12  2  o 210.8634 34.23261 13.65253       4.412027  7.723250       4.241610  61.47943       68.31584 
1 1 1 17  12  3  o 436.3396 20.51497 43.47985       5.515185  41.87931       5.559584  8.658630       41.64792 
1 1 1 17  12  4  o 266.2007 27.51486 17.99097       4.509907  14.44706       4.446983  31.42216       57.63449 
1 1 1 17  12  5  o 122.6292 43.37209 0.4782705      4.038271  6.190401       4.206264  -50.29602      70.26661 
1 1 1 17  12  6  o 113.4718 42.50745 2.367391       4.010514  2.450728       4.067321  -1.205154      70.01135 
1 1 1 17  12  7  o 125.7432 42.77888 3.425750       3.949749  3.548022       4.030953  -1.717682      71.03912 
1 1 1 17  12  8  o 384.0844 21.25745 33.98761       5.059744  31.83838       5.030288  12.87677       43.09710 
1 1 1 17  12  9  o 98.43471 40.36023 -1.286690      3.876310  3.299280       3.996356  -34.91636      66.61687 
1 1 1 17  12  10 o 505.5346 19.11678 61.29282       6.123041  52.56674       5.854207  39.11380       38.56761 
1 1 1 17  12  11 o 400.4064 21.13620 35.56418       5.257833  35.88049       5.205016  -1.958710      42.79342 
1 1 1 17  12  12 o 341.3530 22.98162 29.60018       4.950670  22.85959       4.732615  45.27808       47.00623 
1 1 1 17  12  13 o 574.8283 18.09314 67.95914       6.302100  79.14365       6.595034  -44.05835      36.46325 
1 1 1 17  12  14 o 98.80271 41.90213 -1.011959      5.774450  1.027788       3.761215  10.07086       71.12714 
1 1 1 17  12  15 o 198.8092 39.96684 9.088503       3.928035  10.49984       6.517734  -9.654495      80.11247 
1 1 1 17  12  16 f 99.89420 39.41375 3.042984       3.611452  -0.3194844E-01 3.589775  24.96459       64.67218 
1 1 1 17  12  17 o 327.2089 21.34813 21.31200       4.148433  27.30878       4.490833  -41.25272      43.61037 
1 1 1 17  12  18 o 154.4325 37.81545 6.913668       3.560849  4.710080       3.626398  24.72153       67.47305 
1 1 1 17  12  19 o 99.72879 38.79327 1.320907       3.389342  2.201365       3.507051  -8.423973      63.67284 
1 1 1 17  12  20 o 192.6589 31.58204 7.609962       3.560076  10.32935       3.733541  -30.40376      63.72807 
1 1 1 17  12  21 o 116.1833 39.53570 1.464248       3.344017  5.245645       3.475260  -36.74821      64.50500 
1 1 1 17  12  22 o 84.88710 37.36980 3.125784       4.409201  -1.729056      3.414621  38.43394       63.55031 
1 1 1 17  12  23 o 112.4840 43.37441 4.359031       4.495800  1.925051       4.093729  19.01282       70.14819 
1 1 1 17  12  24 o 92.09989 39.40988 -1.512338      3.413007  6.709521       5.073594  -61.77346      67.97118 
1 1 1 17  12  25 o 76.80664 36.99226 -1.517088      5.736677  -4.476985      4.823781  16.08243       62.80944 
1 1 1 17  12  26 o 81.93352 35.08104 -1.317313      3.191425  3.161244       3.162645  -29.46693      56.70076 
1 1 1 17  12  27 o 117.6786 37.15160 3.784282       3.123658  4.248189       2.949513  -4.955879      61.57639 
1 1 1 17  12  28 o 121.0751 35.98668 3.535517       2.942842  5.200388       2.859842  -18.07360      60.23548 
1 1 1 17  12  29 o 160.7326 32.39358 8.666545       3.349965  6.291038       2.928584  21.57671       63.33201 
1 1 1 17  13  0  o 250.6335 33.11864 16.93123       4.968129  13.16633       5.080076  36.87936       70.36811 
1 1 1 17  13  1  o 134.8577 53.66433 4.596704       6.726643  3.241989       6.730093  7.215240       86.58678 
1 1 1 17  13  2  o 141.4506 54.21674 4.761008       6.886159  4.303524       6.455277  4.617340       87.97465 
1 1 1 17  13  3  o 147.1976 44.35782 4.197644       4.256256  6.733325       4.523612  -24.32657      74.99152 
1 1 1 17  13  4  o 128.8099 44.59760 4.902663       4.291119  2.648767       4.393622  18.30177       73.37627 
1 1 1 17  13  5  o 196.8066 38.44980 5.431904       4.379043  13.77911       4.688097  -84.09735      70.97627 
1 1 1 17  13  6  o 299.1897 26.44533 17.45434       4.672895  23.74022       5.066094  -47.71155      54.92186 
1 1 1 17  13  7  o 218.3861 33.80773 11.72368       4.339025  10.50188       4.531331  13.57321       68.86909 
1 1 1 17  13  8  o 168.5993 40.83358 9.073628       4.238990  4.674335       4.210769  45.62469       72.18189 
1 1 1 17  13  9  o 290.2903 25.96108 17.12595       4.503649  21.22668       4.758018  -32.24905      53.66866 
1 1 1 17  13  10 o 343.7177 32.49361 27.07784       4.840775  0.000000       0.000000  ?              ?        
1 1 1 17  13  11 o 127.7774 43.71252 0.7871559      4.187116  6.383895       4.146781  -48.63154      70.78546 
1 1 1 17  13  12 o 75.77138 35.38155 -3.666110      4.151639  -1.407202      4.059616  -9.710724      61.19143 
1 1 1 17  13  13 o 98.53725 40.80624 2.523422       4.191770  -0.6267729     3.968830  24.48051       67.65411 
1 1 1 17  13  14 o 261.5704 40.67247 0.000000       0.000000  16.28289       4.514909  ?              ?        
1 1 1 17  13  15 o 127.8984 46.55948 4.379288       4.111213  1.518443       5.958120  6.931396       76.94971 
1 1 1 17  13  16 o 114.4042 42.22333 4.090442       4.018833  1.286924       3.897501  24.35172       69.20183 
1 1 1 17  13  17 f 163.7823 39.70072 9.623977       4.075890  3.803656       3.911256  61.39705       69.18114 
1 1 1 17  13  18 o 234.9683 28.12797 10.50744       3.972361  15.26882       4.066170  -47.72777      59.47506 
1 1 1 17  13  19 o 161.3979 38.08191 6.040382       3.750539  6.957104       3.750914  -10.17549      69.28959 
1 1 1 17  13  20 o 107.2060 40.55854 4.415978       3.713845  0.4214459      3.680085  32.85511       65.73009 
1 1 1 17  13  21 o 119.5341 40.72130 6.725080       3.630508  0.4772588      3.600355  56.93449       64.85847 
1 1 1 17  13  22 o 103.7089 44.53144 1.460497       3.638981  0.000000       0.000000  ?              ?        
1 1 1 17  13  23 o 72.95439 34.28984 -2.363866      4.538321  -1.664139      3.563140  7.276840       58.36459 
1 1 1 17  13  24 o 94.85329 40.69587 -0.1092005     4.372439  2.542053       4.214771  -13.75924      65.66185 
1 1 1 17  13  25 o 107.9128 41.54189 4.786285       3.405016  -0.1286964     4.779461  26.67733       65.13858 
1 1 1 17  13  26 o 78.55748 37.30164 -2.247636      4.959721  -1.062421      4.876287  -3.393913      61.18225 
1 1 1 17  13  27 o 148.3352 46.81081 0.000000       0.000000  7.523186       3.404970  ?              ?        
1 1 1 17  13  28 o 107.1945 39.15738 5.598102       3.457767  1.835155       3.324237  29.70641       62.00889 
1 1 1 17  13  29 o 268.5817 23.62421 17.84726       4.039119  18.73479       3.766886  -15.15572      53.21040 
1 1 1 17  14  0  o 261.2668 41.73619 17.04817       6.261120  17.84380       6.852093  -0.8554993     87.20231 
1 1 1 17  14  1  o 286.5080 40.41059 19.15892       6.618109  22.12325       7.415341  -16.34430      86.39897 
1 1 1 17  14  2  f 119.8234 51.22716 2.113306       6.860902  1.394761       6.655414  4.532852       83.28794 
1 1 1 17  14  3  o 123.8953 51.45508 3.880471       6.595862  0.9118482      6.420844  16.21971       83.71408 
1 1 1 17  14  4  o 77.86492 36.08500 0.3399782      4.057253  -4.530591      4.238970  21.56673       61.74282 
1 1 1 17  14  5  o 136.2582 44.10208 3.866850       4.111226  5.211385       4.411596  -13.49315      73.66212 
1 1 1 17  14  6  o 241.3968 31.82496 9.908497       4.489501  17.90766       4.828154  -75.47682      66.35721 
1 1 1 17  14  7  o 219.5406 34.36535 13.09552       4.442527  9.505271       4.615777  37.85794       69.90125 
1 1 1 17  14  8  o 261.9355 29.71375 16.69235       4.724985  14.89820       4.760842  16.58655       62.31102 
1 1 1 17  14  9  o 233.8779 32.30463 15.36663       4.580480  10.12066       4.543162  52.11348       66.98956 
1 1 1 17  14  10 o 219.7415 33.50715 12.74023       4.470520  9.905400       4.377123  29.05356       68.29736 
1 1 1 17  14  11 o 212.0379 36.11050 10.76755       4.815856  10.51615       4.375029  0.8836670      72.31155 
1 1 1 17  14  12 o 440.8858 21.50540 41.22826       5.852902  45.89701       5.874723  -24.47076      43.70280 
1 1 1 17  14  13 o 320.4144 26.20338 19.90292       5.192477  26.67213       5.133486  -50.38571      55.03567 
1 1 1 17  14  14 o 199.3969 50.54446 0.000000       0.000000  10.07841       4.425877  ?              ?        
1 1 1 17  14  15 o 461.8604 20.51387 52.36999       5.884882  43.36977       5.840554  45.00919       41.80232 
1 1 1 17  14  16 o 117.9921 43.59416 7.809678       4.317533  -1.571380      4.128451  76.49937       68.53349 
1 1 1 17  14  17 o 388.0078 21.55462 35.85287       5.245607  32.32131       5.092931  20.49066       44.01883 
1 1 1 17  14  18 o 152.5134 41.31258 4.452174       3.972009  7.377626       4.037571  -29.82509      71.45517 
1 1 1 17  14  19 o 223.4322 30.48431 10.99858       3.995393  12.90853       4.246117  -18.09749      63.99636 
1 1 1 17  14  20 o 106.2154 40.86111 2.711000       3.727908  1.927248       3.860864  5.113113       66.55099 
1 1 1 17  14  21 o 156.6556 40.01607 6.788335       3.788044  6.233159       4.027231  6.516968       71.10639 
1 1 1 17  14  22 o 95.84988 39.06604 0.7043375      3.489485  2.862547       3.857061  -17.89034      63.57451 
1 1 1 17  14  23 o 97.56240 38.67230 2.225983       3.387324  1.741022       3.583205  2.317253       62.55788 
1 1 1 17  14  24 o 129.7699 39.66473 3.501193       3.454198  6.096893       3.523370  -25.29070      66.09832 
1 1 1 17  14  25 o 145.9673 45.33402 6.045038       4.494298  7.517250       4.576385  -11.46048      74.84658 
1 1 1 17  14  26 o 137.9393 43.71122 10.57396       4.016191  0.9440116      4.399670  77.12258       66.92809 
1 1 1 17  14  27 o 87.27606 42.50181 -2.924147      6.782090  -1.774066      8.216653  -7.076233      68.05745 
1 1 1 17  14  28 o 59.02690 28.80280 -2.496448      3.734869  -3.033700      3.214347  6.743767       48.91644 
1 1 1 17  14  29 o 87.20345 36.95326 4.489069       3.950542  0.4805945      3.118629  25.58727       59.11124 
1 1 1 17  15  0  o 87.10136 39.22909 3.306998       4.622318  -3.936126      4.316725  40.26943       66.00931 
1 1 1 17  15  1  o 135.1489 52.47404 -0.5073042     5.871846  11.13879       6.831042  -71.26583      84.60751 
1 1 1 17  15  2  o 119.6930 53.57929 0.3396450      5.786395  0.000000       0.000000  ?              ?        
1 1 1 17  15  3  o 79.59285 36.93416 -0.5328796E-01 4.320924  -3.825816      4.408613  16.46654       62.77717 
1 1 1 17  15  4  o 171.4474 56.61660 10.81350       7.140366  5.775085       6.855464  33.12877       92.85815 
1 1 1 17  15  5  o 128.2919 44.70251 1.715275       4.257456  6.322678       4.481725  -39.29549      72.93967 
1 1 1 17  15  6  o 345.1512 24.23796 24.68618       4.981993  29.99480       5.350648  -34.09943      49.92140 
1 1 1 17  15  7  o 203.0937 37.32934 9.801798       4.351267  10.20698       4.731872  -2.505707      73.56593 
1 1 1 17  15  8  o 332.3640 24.51172 21.97364       4.844717  28.76483       5.211492  -46.09860      50.60476 
1 1 1 17  15  9  o 91.28115 39.59726 1.825365       4.112072  -1.880941      4.191527  21.77850       65.91587 
1 1 1 17  15  10 o 176.6227 41.51897 7.729198       4.408751  7.642283       4.537437  0.9880524      75.65604 
1 1 1 17  15  11 o 172.9835 42.20703 10.68823       4.600381  4.402757       4.384048  62.43997       73.66192 
1 1 1 17  15  12 o 151.7187 45.28488 6.815158       4.649457  4.642216       4.523844  20.22598       76.74734 
1 1 1 17  15  13 o 73.91650 35.87407 -4.695076      4.360439  -7.412305      6.623300  -16.80132      64.73872 
1 1 1 17  15  14 o 130.3674 47.57737 0.2698807      5.937730  5.690526       4.402713  -27.31384      76.81831 
1 1 1 17  15  15 o 94.16266 40.68995 1.303147       4.282935  -0.9602540     4.419480  12.04372       67.50077 
1 1 1 17  15  16 o 174.3174 41.68745 8.038828       4.340881  7.212835       4.561004  8.704544       75.57729 
1 1 1 17  15  17 o 263.2393 28.59881 15.43231       4.489242  17.07953       4.708642  -13.32414      60.46674 
1 1 1 17  15  18 o 212.9437 33.61830 8.296152       4.065632  14.41213       4.564716  -60.67651      68.08150 
1 1 1 17  15  19 o 229.2612 30.60214 10.07567       4.046741  15.73748       4.472075  -54.33685      64.39201 
1 1 1 17  15  20 o 206.2154 32.75268 12.25918       3.912663  8.503612       4.202426  43.75595       67.26029 
1 1 1 17  15  21 o 147.8119 40.88667 5.294656       3.768731  6.763278       3.991329  -14.11005      70.76200 
1 1 1 17  15  22 o 172.7998 38.75023 7.867517       3.945483  8.192535       4.165423  -1.810303      72.27502 
1 1 1 17  15  23 o 97.24429 40.69819 -0.7760198     3.988496  4.519452       4.257657  -34.34219      65.83337 
1 1 1 17  15  24 o 112.6429 42.41423 4.576102       4.140131  2.687408       3.931946  14.03454       67.82222 
1 1 1 17  15  25 o 116.7893 42.47346 1.490438       3.888539  7.213057       4.080398  -42.67338      67.25926 
1 1 1 17  15  26 o 68.30201 33.18133 -4.279763      4.457027  -1.837275      4.412920  -7.103889      55.59986 
1 1 1 17  15  27 o 97.21715 41.29277 3.432949       4.399644  1.964075       4.282000  7.693260       64.31664 
1 1 1 17  15  28 o 113.2090 52.83559 8.781526       8.641917  4.137593       9.721927  9.305443       76.48747 
1 1 1 17  15  29 o 79.12415 37.36640 0.000000       0.000000  0.6735681E-01  3.399693  ?              ?        
1 1 1 17  16  0  o 111.1337 43.78564 3.402730       4.449675  2.036372       4.426353  9.296875       70.69884 
1 1 1 17  16  1  o 174.0074 42.65427 12.80520       4.737992  4.015746       4.414876  82.44646       72.92074 
1 1 1 17  16  2  o 88.70834 39.42818 1.806581       4.499896  -1.964803      4.214187  23.01688       65.68920 
1 1 1 17  16  3  f 114.8855 48.78402 -3.678984      5.709192  8.702397       6.470403  -68.80983      80.16325 
1 1 1 17  16  4  o 267.3459 42.59510 18.61779       6.747506  17.77781       6.909693  8.791107       88.85543 
1 1 1 17  16  5  o 110.9666 48.27704 -2.143819      5.997131  4.498507       6.442617  -34.03384      79.36360 
1 1 1 17  16  6  o 102.7617 46.44506 -4.482731      5.997806  3.716876       6.695530  -39.98206      78.21162 
1 1 1 17  16  7  o 172.3176 42.17245 6.284660       4.320944  8.973624       4.637115  -26.41873      75.71205 
1 1 1 17  16  8  o 190.0443 38.80909 5.803877       4.234097  12.64586       4.633376  -69.20430      71.82471 
1 1 1 17  16  9  o 114.5379 43.22226 4.230768       4.214098  1.149031       4.170718  24.18539       70.49519 
1 1 1 17  16  10 o 279.8814 28.36963 12.76586       4.569270  25.19006       5.208127  -100.9705      60.91469 
1 1 1 17  16  11 o 256.5135 29.38997 13.04687       4.367665  18.18227       4.855361  -44.30495      61.92107 
1 1 1 17  16  12 o 251.8869 30.64155 14.69546       4.750555  15.05959       4.630509  -4.365387      64.67338 
1 1 1 17  16  13 o 92.54736 40.00989 1.440993       4.184725  -1.044273      4.234042  14.50511       66.36266 
1 1 1 17  16  14 o 166.6704 43.08020 7.602784       4.515153  6.548115       4.457785  10.32452       76.19619 
1 1 1 17  16  15 o 245.9741 30.74551 12.86579       4.455167  15.93249       4.735812  -27.55722      64.95189 
1 1 1 17  16  16 o 204.7173 35.60122 9.961304       4.224282  10.59967       4.502961  -4.942459      71.50533 
1 1 1 17  16  17 o 113.6471 42.73766 1.181302       3.970692  4.678497       4.222661  -28.86296      69.59068 
1 1 1 17  16  18 o 82.90286 37.54508 -3.179337      4.038570  1.773957       4.278602  -28.58054      63.33309 
1 1 1 17  16  19 o 78.55025 36.45986 -2.119062      4.156320  -1.098380      4.365323  -6.835930      61.50848 
1 1 1 17  16  20 o 155.8316 45.86805 9.321529       4.511681  4.074288       4.985217  44.92233       75.77836 
1 1 1 17  16  21 o 93.74535 40.96756 -0.5481011     4.292246  2.411496       4.772512  -18.99350      67.00816 
1 1 1 17  16  22 o 182.7859 43.07519 7.072649       4.578832  12.36773       5.064977  -45.65381      78.09586 
1 1 1 17  16  23 o 308.6746 28.33301 24.79425       5.281369  22.60160       5.452022  20.85056       62.74073 
1 1 1 17  16  24 o 90.06864 39.71622 -3.341661      4.206995  5.965517       4.462539  -49.48655      64.70580 
1 1 1 17  16  25 o 116.3175 44.02428 4.597371       4.405138  4.312874       4.309855  1.788940       69.11921 
1 1 1 17  16  26 o 197.6446 40.87740 13.87769       5.308151  10.56349       4.487026  16.31796       79.69895 
1 1 1 17  16  27 o 85.36040 38.20898 0.4895943      4.465558  2.007470       3.911478  -4.545990      59.94332 
1 1 1 17  16  28 o 156.3718 47.94308 9.460485       5.002344  9.964010       5.185099  -1.323288      76.89129 
1 1 1 17  17  0  o 267.7418 34.27803 19.40158       5.539528  16.53354       5.586114  26.84035       74.70766 
1 1 1 17  17  1  o 93.07750 41.21869 -0.5605874     4.796041  0.9990681      4.630175  -6.473610      67.53081 
1 1 1 17  17  2  o 186.8555 42.51086 10.05544       4.868731  8.717394       4.765013  12.29869       78.74174 
1 1 1 17  17  3  o 213.9581 37.25046 8.807060       4.692666  14.58391       4.839655  -56.94571      74.09034 
1 1 1 17  17  4  o 130.7644 51.59313 5.268239       6.161700  2.761575       6.177456  13.90559       82.86002 
1 1 1 17  17  5  o 217.0180 50.68961 12.50128       6.598972  13.36927       6.805523  -5.824097      93.15150 
1 1 1 17  17  6  o 92.38365 40.37028 -0.1133214E-01 4.327883  0.4722092      4.438535  -3.748108      66.66422 
1 1 1 17  17  7  o 91.25202 42.52604 -4.871779      5.767438  0.5450631      6.005600  -22.51355      71.88402 
1 1 1 17  17  8  o 100.7210 42.04830 3.992402       4.452571  -1.295740      4.306677  34.80496       68.79212 
1 1 1 17  17  9  o 84.57155 37.88850 -5.562069      4.051794  4.529579       4.152308  -58.98396      63.75233 
1 1 1 17  17  10 o 104.1709 41.76046 4.285630       4.166981  -0.5586001     4.045420  35.62283       67.99982 
1 1 1 17  17  11 o 92.16704 39.42538 1.132846       3.930129  -0.1857673     4.085578  6.705505       65.09951 
1 1 1 17  17  12 o 101.4775 41.83450 2.887560       4.511730  0.1509773      4.042081  22.29582       68.89708 
1 1 1 17  17  13 o 162.4891 45.77897 8.462093       4.841728  5.418230       4.779816  27.45190       78.42870 
1 1 1 17  17  14 o 141.4808 46.98549 3.165425       4.822155  7.148699       4.807183  -31.99075      77.02779 
1 1 1 17  17  15 o 84.71243 38.83139 1.971742       4.608464  -4.794237      4.625434  31.98180       65.69207 
1 1 1 17  17  16 o 128.5305 47.03098 5.095221       4.849854  3.019398       4.935419  14.49886       76.32119 
1 1 1 17  17  17 o 97.63246 42.20977 1.540435       4.565936  -0.1530402     4.814096  7.216309       69.05785 
1 1 1 17  17  18 o 119.0086 46.43363 4.596199       4.969301  2.184032       4.930889  15.52142       74.65835 
1 1 1 17  17  19 o 128.2336 47.72345 3.715071       5.033058  5.402806       5.115802  -11.30193      76.56435 
1 1 1 17  17  20 o 206.9246 42.24221 9.815115       5.038102  14.10519       5.464980  -35.78259      81.39280 
1 1 1 17  17  21 o 157.5302 47.38993 6.384717       4.774957  8.773279       5.275990  -17.42763      79.61133 
1 1 1 17  17  22 o 202.5802 43.58127 13.71706       5.136946  9.805690       5.510777  39.44275       81.69845 
1 1 1 17  17  23 o 114.8168 45.57370 1.794861       4.695993  6.305043       4.999664  -26.70565      71.91170 
1 1 1 17  17  24 o 100.4127 43.34390 -1.600154      4.763178  7.085752       5.104536  -42.56362      68.91461 
1 1 1 17  17  25 o 104.2030 43.51947 3.475525       4.822075  3.175232       4.572457  1.871582       67.56998 
1 1 1 17  17  26 o 124.1800 51.55420 6.849377       4.616174  0.000000       0.000000  ?              ?        
1 1 1 17  17  27 o 88.00165 38.94793 1.715654       4.277074  2.043530       4.127184  -1.054604      60.54040 
1 1 1 17  17  28 f 98.43166 41.47501 4.428438       4.781266  3.021082       3.971335  6.308403       63.27435 
1 1 1 17  18  0  o 122.5970 47.97187 6.007234       5.386318  2.042504       5.209822  24.13697       76.53188 
1 1 1 17  18  1  o 271.8953 35.29218 17.48234       5.700182  20.29139       5.930976  -21.83707      77.28036 
1 1 1 17  18  2  f 104.9340 44.40560 0.7366712      4.887532  2.802305       5.093503  -12.44650      71.81947 
1 1 1 17  18  3  o 88.72881 40.63052 -2.659399      4.871291  1.155147       5.221347  -19.25804      67.63615 
1 1 1 17  18  4  o 248.3405 36.27729 14.59520       5.344789  16.67866       5.506079  -17.78017      77.22654 
1 1 1 17  18  5  o 122.8903 46.40017 1.867181       4.701394  5.770004       4.976123  -27.96597      74.95554 
1 1 1 17  18  6  o 192.1103 52.73117 14.15787       6.609544  7.320247       6.346086  50.84697       90.08853 
1 1 1 17  18  7  o 111.9194 47.69081 1.290508       5.739381  2.024807       5.906240  -4.699219      77.41763 
1 1 1 17  18  8  o 110.7089 50.74006 -3.524028      7.521201  2.519821       8.292918  -24.31667      83.73502 
1 1 1 17  18  9  o 127.3609 55.13211 -1.129048      7.826951  6.731941       8.213170  -32.20741      88.68568 
1 1 1 17  18  10 o 110.0866 44.76313 2.896570       4.762574  1.541089       4.820390  7.977341       72.53098 
1 1 1 17  18  11 o 84.34386 38.81642 -0.4244910     4.655924  -2.439261      4.697900  8.669441       65.14106 
1 1 1 17  18  12 o 273.0579 32.19354 14.69231       5.282353  21.65088       5.416897  -60.59627      69.78735 
1 1 1 17  18  13 o 104.9401 44.24732 1.542690       5.004519  1.406843       4.844544  1.917534       72.02931 
1 1 1 17  18  14 o 104.1537 44.42286 5.480842       5.296121  -2.213448      4.850873  45.61961       72.86437 
1 1 1 17  18  15 o 92.15549 41.47758 -6.712090      4.939927  6.172478       5.017638  -63.77374      69.25040 
1 1 1 17  18  16 o 173.7058 59.56058 0.000000       0.000000  9.804832       5.470839  ?              ?        
1 1 1 17  18  17 o 121.4703 47.14970 7.436004       5.302439  0.6351597      4.888913  44.37810       75.56887 
1 1 1 17  18  18 o 101.3521 43.41827 -2.512000      4.789886  5.777794       4.956628  -45.69157      70.37100 
1 1 1 17  18  19 o 98.71389 43.07722 1.889981       4.913948  0.2342209      5.037766  7.367393       69.62637 
1 1 1 17  18  20 o 95.68840 42.59835 -0.2454456     5.039719  1.537236       5.158898  -8.803955      69.01705 
1 1 1 17  18  21 o 93.29182 42.05383 1.647034       4.927255  -0.9660188     5.383296  8.290108       67.79667 
1 1 1 17  18  22 o 134.6230 49.00495 10.08071       5.343942  2.252393       5.259589  48.38613       76.69260 
1 1 1 17  18  23 o 72.36378 35.16153 -4.583238      5.008428  -2.040697      4.964931  -6.908066      58.70147 
1 1 1 17  18  24 o 72.58884 35.20039 -1.652719      4.850457  -3.879172      5.017845  5.176437       58.05557 
1 1 1 17  18  25 o 99.34850 43.11230 1.653422       4.875907  3.908622       4.974712  -10.10278      66.87883 
1 1 1 17  18  26 o 94.94598 41.83872 2.896703       4.688091  2.582680       4.913013  0.9678040      64.12196 
1 1 1 17  18  27 o 95.09245 42.07966 -0.5596979     5.037064  6.249587       4.775170  -26.25520      64.29688 
1 1 1 17  18  28 o 71.14812 34.31155 -2.353130      4.785791  0.4957029E-01  4.305979  -4.492607      54.60207 
1 1 1 17  19  0  o 90.13724 41.60474 -2.007293      5.259150  0.5435749      5.616973  -12.19125      68.43447 
1 1 1 17  19  1  o 103.4151 45.06160 0.7692882      5.233032  2.210485       5.642643  -8.906364      72.60322 
1 1 1 17  19  2  o 117.5318 47.81905 -1.421451      5.440038  8.312934       5.503707  -53.67055      75.78225 
1 1 1 17  19  3  o 98.81107 43.85985 2.787375       5.316532  -1.775549      5.414402  20.07180       71.38346 
1 1 1 17  19  4  o 100.6622 44.05351 0.7567692      5.108986  1.327051       5.371580  -4.347885      71.35510 
1 1 1 17  19  5  o 133.3485 49.29478 2.559446       5.376639  7.447992       5.417350  -31.54575      78.76998 
1 1 1 17  19  6  o 81.40508 38.32761 0.4317011      4.917020  -5.260850      5.065380  20.52186       64.77061 
1 1 1 17  19  7  o 100.6268 43.89993 -1.370040      5.183669  3.046203       5.143524  -21.66809      71.51608 
1 1 1 17  19  8  o 118.4508 50.25317 -1.170848      5.975272  7.422562       6.967698  -45.20855      81.92192 
1 1 1 17  19  9  o 124.4629 54.90446 2.080446       5.855622  0.000000       0.000000  ?              ?        
1 1 1 17  19  10 o 125.0696 57.73159 12.09494       10.64275  -10.85221      10.27867  62.79854       94.80938 
1 1 1 17  19  11 o 127.4193 58.35458 -12.96879      10.02409  17.42903       10.80958  -89.81149      96.88867 
1 1 1 17  19  12 o 87.85334 40.71338 -1.477482      4.897859  -1.680003      5.758857  -6.359192      68.09934 
1 1 1 17  19  13 o 148.7405 51.09404 8.953817       5.466267  3.479314       5.953670  36.56718       81.87830 
1 1 1 17  19  14 o 155.4585 51.91362 11.61641       5.693784  2.244323       6.076838  63.19050       82.01428 
1 1 1 17  19  15 o 101.6310 45.08710 2.071056       5.310692  -1.135982      6.092690  9.022255       73.03048 
1 1 1 17  19  16 f 111.1931 47.63407 2.121567       5.241306  2.128987       6.775847  -7.192268      76.83437 
1 1 1 17  19  17 o 96.85882 43.32125 1.523139       5.321257  -0.8076540     5.354142  10.03019       70.46577 
1 1 1 17  19  18 o 97.52919 43.09262 -0.8451281     5.066748  2.552220       5.176843  -16.51554      69.86231 
1 1 1 17  19  19 o 87.96392 40.45418 0.8262780      5.024372  -2.094277      5.111523  11.13747       66.28333 
1 1 1 17  19  20 o 129.9726 48.09581 6.180456       5.044048  4.424586       5.241346  10.98745       76.10554 
1 1 1 17  19  21 o 96.75237 42.53261 -0.2162771     5.001870  3.219050       4.860271  -15.01231      67.62897 
1 1 1 17  19  22 o 99.64402 43.53199 3.660295       5.102142  0.7888147      5.083211  12.70687       68.39870 
1 1 1 17  19  23 o 112.5384 46.04351 2.171492       5.133336  6.562335       5.081675  -21.68794      70.88335 
1 1 1 17  19  24 o 93.30478 42.21924 2.533211       5.228107  0.8206198      5.248595  6.245392       65.87697 
1 1 1 17  19  25 o 84.58635 39.33695 -0.1203382E-01 4.927167  1.424594       5.059774  -5.210213      61.72576 
1 1 1 17  19  26 o 61.92769 30.89423 -3.002938      4.782682  -6.984036      4.832986  7.919518       51.71935 
1 1 1 17  19  27 f 72.38496 35.10551 2.549580       5.165123  -4.359473      4.687734  19.51028       56.69633 
1 1 1 17  20  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  20  2  o 102.3748 45.09090 1.000461       5.474937  1.630000       5.659864  -3.707123      72.38329 
1 1 1 17  20  3  o 109.9259 47.44846 3.045715       5.607806  1.334534       6.246732  4.938828       75.42139 
1 1 1 17  20  4  o 94.17823 43.34460 0.9982181      5.460099  -2.800541      6.293537  8.589523       70.71940 
1 1 1 17  20  5  o 144.0193 51.22348 3.693391       5.432209  9.653987       6.138868  -38.12812      82.44511 
1 1 1 17  20  6  f 99.46960 44.64876 1.054895       5.490495  -0.1602883     5.992975  2.063179       72.23987 
1 1 1 17  20  7  o 144.9995 51.71951 6.174804       5.609125  6.758755       6.169164  -3.586792      82.96848 
1 1 1 17  20  8  o 100.0318 44.28640 0.1528950      5.289537  1.404672       5.592412  -7.499985      71.87509 
1 1 1 17  20  9  o 149.3087 52.30358 7.963204       6.192478  5.755864       5.789231  13.94876       84.29215 
1 1 1 17  20  10 o 128.6697 51.75608 6.631184       6.160346  1.803656       6.509230  23.47063       81.84250 
1 1 1 17  20  11 o 93.28630 42.56332 -0.2682393     5.235987  -0.9178327     5.721887  -0.8364334     69.94212 
1 1 1 17  20  12 f 127.8866 59.49227 6.006713       11.28353  -3.446435      11.58719  20.10324       93.68969 
1 1 1 17  20  13 o 135.1045 62.28854 -2.033029      11.61994  9.590560       12.68901  -27.07289      97.45638 
1 1 1 17  20  14 o 133.7512 50.43042 6.741195       5.689456  3.514074       5.719493  19.26786       80.29102 
1 1 1 17  20  15 o 91.35072 42.07505 -5.250089      5.385376  4.034200       5.644964  -38.75224      70.19545 
1 1 1 17  20  16 o 140.4879 52.74195 6.988469       5.705966  5.072551       6.916379  10.05772       83.19871 
1 1 1 17  20  17 f 80.11658 38.35405 -0.4132877     5.420693  -5.490518      5.426682  16.07292       64.43493 
1 1 1 17  20  18 o 111.8572 46.63373 -0.7139830     5.286536  7.267142       5.465711  -41.28098      73.90761 
1 1 1 17  20  19 o 111.7921 46.36863 1.239046       5.122865  5.818843       5.439799  -24.00678      73.13638 
1 1 1 17  20  20 o 92.60049 42.08326 0.1917957      5.135746  1.263734       5.423689  -5.474358      67.20606 
1 1 1 17  20  21 o 85.50758 40.00035 -3.308047      5.070053  3.079587       5.531639  -23.98286      65.11393 
1 1 1 17  20  22 o 77.61544 38.49536 -3.046781      5.326350  -20.97967      13.95194  -9.332169      64.19725 
1 1 1 17  20  23 o 89.05872 40.98376 -1.635155      5.255939  3.423907       5.170117  -17.34550      64.66093 
1 1 1 17  20  24 o 79.91482 37.91739 -0.9317297     4.944536  0.5826872E-01  5.188930  -3.992844      60.30930 
1 1 1 17  20  25 o 85.24140 39.43623 3.591050       4.827560  -1.046211      5.016805  14.82219       61.13507 
1 1 1 17  20  26 o 76.76293 36.60659 1.658035       4.888079  -1.814176      4.793359  10.17341       57.60781 
1 1 1 17  20  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  21  3  o 129.6303 51.54354 5.950185       5.996593  4.407501       6.430811  7.271210       80.58617 
1 1 1 17  21  4  o 106.4887 46.42326 5.855478       5.506406  -2.757642      6.064001  35.00011       73.71977 
1 1 1 17  21  5  o 88.17806 41.53456 -4.472704      5.437941  2.266296       6.426912  -28.27758      69.60716 
1 1 1 17  21  6  o 92.16401 42.70972 0.1295870      5.637659  -1.973410      5.990016  5.288559       69.75790 
1 1 1 17  21  7  o 106.9725 46.99610 6.437246       5.845084  -3.621468      6.189499  41.04251       75.16734 
1 1 1 17  21  8  o 96.05742 43.90679 -2.391149      5.411507  3.281727       6.408575  -26.83083      72.25598 
1 1 1 17  21  9  o 96.10593 43.99238 -0.2460063     5.516130  0.1612813      6.372119  -6.201828      71.41366 
1 1 1 17  21  10 o 115.2308 48.31530 5.103970       5.604214  0.8664895      6.058222  18.66624       76.29111 
1 1 1 17  21  11 o 115.4548 50.17113 1.973284       6.354650  3.800105       7.080703  -9.517586      79.40466 
1 1 1 17  21  12 o 135.4272 53.99022 8.076834       6.404072  2.829436       7.335706  23.48908       83.83778 
1 1 1 17  21  13 o 71.01148 35.31117 -6.989880      5.687796  -8.669626      6.547939  -3.034904      61.11151 
1 1 1 17  21  14 o 162.0179 71.01924 19.09764       14.15388  8.878959       13.20526  19.89250       103.5624 
1 1 1 17  21  15 o 149.5628 59.93924 0.3351098      13.33944  10.80240       6.686746  -31.80399      89.71191 
1 1 1 17  21  16 f 117.4372 53.43501 3.019468       6.034999  0.000000       0.000000  ?              ?        
1 1 1 17  21  17 o 99.52189 45.30645 2.022770       5.986873  -0.1858204     6.317399  6.377686       71.91691 
1 1 1 17  21  18 o 97.21692 44.18992 4.681624       5.817299  -2.558666      5.819888  26.32693       70.49721 
1 1 1 17  21  19 o 133.1077 51.76525 7.124775       5.967082  6.365434       6.320190  4.318703       79.29451 
1 1 1 17  21  20 o 94.62669 43.26306 4.078313       5.542232  -1.691836      5.831671  18.78685       67.96543 
1 1 1 17  21  21 o 86.83153 40.76291 -4.353545      5.423742  4.968998       5.732346  -30.39443      65.81219 
1 1 1 17  21  22 o 107.4840 45.95142 7.012978       5.296224  0.6278589      5.587170  26.58646       70.26012 
1 1 1 17  21  23 o 130.0999 48.78881 6.227715       5.234210  8.387467       5.417256  -10.27563      73.86225 
1 1 1 17  21  24 f 98.71339 43.62262 3.486968       5.071335  4.015443       5.448099  -1.877518      65.53620 
1 1 1 17  21  25 o 67.15846 33.35981 -1.112708      5.264209  -6.850668      5.468191  10.11739       54.39886 
1 1 1 17  21  26 o 76.32487 37.32476 0.7586780      5.456280  -2.715666      6.416306  4.327560       57.74244 
1 1 1 17  22  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  22  5  o 128.6769 51.81563 6.246634       6.053549  4.289379       6.693905  8.779800       80.43542 
1 1 1 17  22  6  o 100.2579 45.76575 1.267573       5.963974  -0.1242350     6.761490  1.327057       73.07556 
1 1 1 17  22  7  o 101.2779 46.25243 1.663348       5.938258  -0.3257850     7.176473  1.657394       73.56939 
1 1 1 17  22  8  o 86.88644 41.84073 -4.001957      6.199122  -2.111633      7.277398  -10.81437      69.31937 
1 1 1 17  22  9  o 114.4000 50.03022 3.146632       6.299769  2.567297       7.292027  -0.5581665     78.59937 
1 1 1 17  22  10 o 110.5338 48.99400 1.036217       6.167835  4.224868       7.321181  -15.02013      77.65634 
1 1 1 17  22  11 o 133.9881 53.76493 12.53915       6.568099  -1.114324      7.082544  61.56876       82.27174 
1 1 1 17  22  12 f 140.8326 54.74538 8.260259       6.508739  6.052915       7.276291  11.13377       84.20216 
1 1 1 17  22  13 o 84.53149 41.58360 -5.306852      7.355893  -5.817342      7.959801  -1.941269      68.66777 
1 1 1 17  22  14 o 128.9670 55.91081 10.07921       8.246374  2.203484       8.285710  24.89698       84.84023 
1 1 1 17  22  15 o 96.09324 47.19272 -21.00419      13.99911  1.426017       7.878025  -11.27144      75.01557 
1 1 1 17  22  16 o 114.4300 57.86007 -3.316401      14.15303  0.000000       0.000000  ?              ?        
1 1 1 17  22  17 o 108.2704 51.72640 -9.819093      13.92151  5.673660       7.943540  -14.19872      78.58142 
1 1 1 17  22  18 o 87.72131 42.33109 0.8064731      6.550703  -4.986063      7.352467  9.928391       67.59888 
1 1 1 17  22  19 o 87.16898 41.97513 -5.085890      6.208790  3.810386       7.369848  -24.80335      68.22206 
1 1 1 17  22  20 o 111.8853 49.32939 5.330205       6.279592  3.661971       7.158937  5.212669       74.34918 
1 1 1 17  22  21 o 81.26917 39.51937 -1.726262      5.917778  -2.424148      6.848154  -1.958107      63.09923 
1 1 1 17  22  22 o 110.6525 48.54125 4.738358       6.038640  6.968757       6.811313  -5.935684      71.57164 
1 1 1 17  22  23 o 84.52899 40.57124 4.502862       5.717617  -5.091650      6.715174  19.03805       62.80206 
1 1 1 17  22  24 o 118.3718 49.21540 4.026373       5.637224  12.01503       6.349873  -26.04601      71.98392 
1 1 1 17  22  25 o 76.75533 37.52439 -0.2298081     5.873543  -0.8379722     5.985351  0.9179840      57.87590 
1 1 1 17  23  6  o 111.4300 54.32016 0.000000       0.000000  -0.7450178     8.605321  ?              ?        
1 1 1 17  23  7  o 131.5163 53.80978 6.871214       6.573615  5.584624       7.462206  5.624084       82.23464 
1 1 1 17  23  8  o 131.2053 54.74257 5.226089       7.094693  7.599329       7.779963  -8.766129      83.58639 
1 1 1 17  23  9  o 109.7605 49.50983 -0.2862529     6.646191  6.669069       7.757619  -24.27781      77.85174 
1 1 1 17  23  10 o 100.1496 46.63455 0.4624197      6.694055  0.9986438      7.473545  -3.907166      73.50790 
1 1 1 17  23  11 o 120.4563 51.98297 3.517875       6.703439  6.311127       7.529211  -10.55078      79.86887 
1 1 1 17  23  12 o 92.93433 44.74010 -0.9991420     6.882290  -3.891829      8.653868  -0.4663391     71.88055 
1 1 1 17  23  13 o 138.6741 56.90909 4.406974       6.997234  13.82555       9.061214  -30.66844      87.37535 
1 1 1 17  23  14 o 148.3893 58.17570 13.54038       7.016094  3.061520       8.926105  44.14365       86.22190 
1 1 1 17  23  15 o 112.5555 55.03450 0.000000       0.000000  1.428216       9.027140  ?              ?        
1 1 1 17  23  16 o 107.4384 52.22726 0.9107554      7.802391  0.000000       0.000000  ?              ?        
1 1 1 17  23  17 o 84.97661 41.88311 -0.8143181     6.822208  -11.09021      9.640053  6.358604       67.34961 
1 1 1 17  23  18 o 111.2859 55.15789 0.8928513      13.93073  7.168758       14.82276  -5.747993      80.85636 
1 1 1 17  23  19 f 105.9666 52.99382 0.8537022      13.96636  5.455736       15.17667  -3.773003      77.51363 
1 1 1 17  23  20 o 100.0652 46.33222 4.501538       6.355916  2.101360       7.380304  5.418037       69.33654 
1 1 1 17  23  21 o 75.23206 37.33261 -5.016134      6.082928  -1.723275      7.416348  -9.755135      60.00548 
1 1 1 17  23  22 o 88.33709 42.39455 0.8859653E-02  6.171727  3.233908       7.441979  -8.161606      64.62444 
1 1 1 17  23  23 o 83.63730 40.63331 8.372902       6.290351  -9.090567      7.085896  31.76411       63.34810 
1 1 1 17  23  24 o 68.84856 34.77290 -1.675435      6.660623  -11.51712      7.658462  8.451462       55.43999 
1 1 1 17  24  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 17  24  9  o 79.79730 39.36696 -4.370865      6.684219  -6.203160      7.395667  0.6894684E-01  64.80909 
1 1 1 17  24  10 o 102.9591 47.57099 1.258815       6.736203  2.566924       7.587725  -5.475891      73.89470 
1 1 1 17  24  11 o 94.62227 44.80433 -0.6702847     6.536269  0.6117072      7.576777  -6.462616      70.85424 
1 1 1 17  24  12 o 128.4193 53.67910 2.749276       6.717805  12.26469       7.672955  -33.76260      81.66386 
1 1 1 17  24  13 o 94.22240 44.60452 -3.002285      6.528751  4.482615       7.413565  -21.19909      70.78532 
1 1 1 17  24  14 o 101.4304 46.83553 -2.706413      6.415788  9.280304       7.487542  -35.39272      73.85145 
1 1 1 17  24  15 o 88.33444 44.10949 0.000000       0.000000  -5.163488      7.001223  ?              ?        
1 1 1 17  24  16 o 90.84153 44.68637 -0.3584698     6.787015  -9.452968      15.81701  -5.229538      70.03825 
1 1 1 17  24  17 o 107.4340 49.60820 1.950234       7.558609  7.636175       7.913864  -13.28542      73.82908 
1 1 1 17  24  18 o 133.0426 56.80817 7.638125       7.684250  15.11079       9.064871  -15.01884      80.99335 
1 1 1 17  24  19 o 95.29613 45.88084 1.613567       7.266057  2.774544       9.056334  -3.534561      69.03637 
1 1 1 17  24  20 o 102.1960 51.46688 11.59386       13.88648  -0.6932099     16.30164  7.653915       73.43130 
1 1 1 17  24  21 o 85.52203 43.76389 -5.205928      13.31357  -9.402561      15.68476  0.2793884      65.70947 
1 1 1 17  24  22 o 81.73237 40.18795 3.599149       6.486896  -5.473296      7.952672  11.57777       61.15979 
1 1 1 17  25  12 o 103.0689 49.94469 0.000000       0.000000  1.730800       6.987958  ?              ?        
1 1 1 17  25  13 o 131.5918 54.89148 8.595310       7.564898  8.777793       7.343250  -1.214500      80.15343 
1 1 1 17  25  14 o 74.59522 36.97025 -6.355906      6.063129  -2.394474      6.911460  -10.93163      60.65919 
1 1 1 17  25  15 o 80.58793 40.12501 3.689174       9.487210  -9.083514      6.971675  24.77841       66.00016 
1 1 1 17  25  16 o 87.60226 42.57215 0.2208942      6.739178  -1.256448      8.074979  -0.8377838E-01 65.81365 
1 1 1 17  25  17 o 81.27942 39.83092 -0.5095613     6.406836  -3.175106      7.276783  2.460175       62.39555 
1 1 1 17  25  18 o 87.43574 42.13490 2.181316       6.471971  -0.7774502     7.174707  4.740021       64.24136 
1 1 1 17  25  19 o 89.20730 42.93549 -1.343754      6.632687  5.695036       7.449575  -14.22736      65.11866 
1 1 1 17  25  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  -16 0  o 86.75169 39.62159 2.943426       4.542838  0.5065336      4.986453  7.618271       60.84797 
1 1 1 18  -16 1  o 83.72393 38.73517 -0.6165456     4.554926  3.129444       4.964598  -14.00501      60.62834 
1 1 1 18  -16 2  o 89.43256 39.92996 -2.320356      4.303501  7.411265       4.758035  -42.67086      63.51704 
1 1 1 18  -16 3  o 93.65817 41.55561 0.7306044      4.430685  5.117844       5.309767  -18.73058      64.65794 
1 1 1 18  -16 4  o 78.99038 36.93356 1.228537       4.236818  -1.463902      4.812426  6.700951       58.60092 
1 1 1 18  -16 5  o 129.4078 46.90511 5.339364       4.562683  8.533796       5.198508  -15.47034      72.52249 
1 1 1 18  -16 6  o 117.3389 45.86382 7.035336       4.441356  3.070337       5.359514  22.38412       69.40642 
1 1 1 18  -16 7  o 84.39702 38.84009 -1.501493      4.320949  3.965727       5.152273  -23.43633      62.35353 
1 1 1 18  -15 0  o 83.34402 37.92955 0.7248529      4.169290  1.607214       4.450137  -4.507645      59.44921 
1 1 1 18  -15 1  o 94.89351 41.06874 2.462245       4.349323  2.934855       4.546263  -2.486397      63.36769 
1 1 1 18  -15 2  o 76.92554 36.33135 -0.4786376     4.467176  -0.6775373     4.631476  -0.1796875     58.25132 
1 1 1 18  -15 3  o 102.2606 47.04465 0.000000       0.000000  3.248925       4.851338  ?              ?        
1 1 1 18  -15 4  f 92.91732 40.94116 3.455462       4.438200  0.5004257      4.763107  11.98811       63.74809 
1 1 1 18  -15 5  o 63.56886 31.32766 -5.286271      3.938363  -1.870539      5.078424  -17.46865      53.93598 
1 1 1 18  -15 6  o 113.9392 44.88778 2.872997       4.330356  6.966610       5.088676  -22.13119      70.01721 
1 1 1 18  -15 7  o 117.9810 45.48032 4.920937       4.365424  4.988381       5.139613  0.6028214      70.55177 
1 1 1 18  -15 8  o 110.3690 44.43266 3.841955       4.268147  4.434528       5.206069  -3.335747      69.04916 
1 1 1 18  -15 9  o 100.8382 42.87429 5.754869       4.393018  -0.7485749     5.048128  29.56641       66.26627 
1 1 1 18  -15 10 o 95.06154 46.55068 0.000000       0.000000  -1.476226      6.531435  ?              ?        
1 1 1 18  -14 0  o 71.76137 34.34331 -0.9048893     4.093117  -2.858819      4.640629  2.672035       56.38384 
1 1 1 18  -14 1  f 99.94411 45.78754 0.000000       0.000000  2.137879       4.530455  ?              ?        
1 1 1 18  -14 2  o 92.22784 40.28193 2.793510       4.076499  0.3176157      4.707831  9.255005       63.43221 
1 1 1 18  -14 3  o 67.75185 32.83452 -2.951032      3.966023  -2.700466      4.667576  -6.418549      55.19418 
1 1 1 18  -14 4  o 69.72182 33.78012 -1.957175      4.468308  -3.940856      4.565475  5.370872       56.47552 
1 1 1 18  -14 5  o 129.4408 45.96468 8.855568       4.557146  2.253527       4.708341  45.06855       71.83568 
1 1 1 18  -14 6  o 75.73529 35.85413 -2.300335      4.356909  -0.6143025     4.609641  -7.908928      59.12635 
1 1 1 18  -14 7  o 66.10712 32.36279 -3.580614      4.126572  -4.283486      4.876390  -4.235123      54.95532 
1 1 1 18  -14 8  o 93.69436 40.63718 -1.066098      3.965512  6.262043       4.932173  -41.10355      66.19341 
1 1 1 18  -14 9  o 148.7166 46.62859 10.87319       4.623408  3.820216       4.965724  53.69259       73.95383 
1 1 1 18  -14 10 o 75.45520 35.77487 -1.837274      4.098478  -1.006087      5.021014  -9.288635      59.18066 
1 1 1 18  -14 11 o 74.20781 35.08651 -1.121228      3.938667  -1.681501      4.682572  -3.356644      57.78069 
1 1 1 18  -14 12 o 67.99142 32.81413 -1.933359      3.739834  -3.592191      4.761869  -2.964287      55.03864 
1 1 1 18  -13 0  o 105.3836 43.32054 4.427511       4.377014  2.118340       4.741453  11.80014       67.40240 
1 1 1 18  -13 1  o 92.40670 40.72934 -0.4258067     4.382474  3.781676       4.734072  -21.14966      64.94893 
1 1 1 18  -13 2  o 95.42708 40.85312 1.564553       4.024632  2.495955       4.659448  -7.438087      64.92108 
1 1 1 18  -13 3  o 62.04472 30.62623 -4.016874      3.985575  -5.606332      4.613530  -1.408409      52.69108 
1 1 1 18  -13 4  o 246.2771 33.17396 15.49665       4.700048  17.10213       5.219120  -4.833069      74.12150 
1 1 1 18  -13 5  o 109.4784 43.93377 1.415792       4.383563  5.796875       4.732809  -26.61034      69.48128 
1 1 1 18  -13 6  o 68.95013 33.32428 -5.997110      4.110737  0.8174531      4.582586  -27.44962      57.57669 
1 1 1 18  -13 7  o 93.43501 40.53090 2.975436       4.185150  -0.2238689     4.534062  14.55788       64.53381 
1 1 1 18  -13 8  f 94.39709 41.29287 1.898499       4.434245  0.8643543      4.774929  3.299797       65.84392 
1 1 1 18  -13 9  o 70.93745 33.97071 -5.250255      3.956740  1.415845       4.651797  -30.93157      58.85537 
1 1 1 18  -13 10 o 85.74947 38.46687 -0.2680568     3.864624  1.528732       4.758572  -14.12346      62.77271 
1 1 1 18  -13 11 o 75.50984 35.54894 1.764360       4.023579  -5.375245      4.619153  22.58430       58.69523 
1 1 1 18  -13 12 o 114.5487 45.88338 4.135383       3.975587  3.685047       7.389261  -2.103622      73.19861 
1 1 1 18  -13 13 o 87.54543 38.85452 -0.7100002     3.880836  3.185338       4.637261  -23.29276      63.21393 
1 1 1 18  -13 14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  -12 0  o 106.7277 43.06826 5.680536       4.234776  0.1387098      4.579222  31.89344       67.54189 
1 1 1 18  -12 1  o 98.69225 41.48367 3.261974       4.126282  0.7304097      4.510398  12.39680       65.87135 
1 1 1 18  -12 2  o 107.5083 43.63570 4.746321       4.325934  0.8120496      4.797058  21.25527       68.82581 
1 1 1 18  -12 3  o 78.41878 36.55845 -2.328936      4.118643  0.2840094      4.634680  -15.01494      60.91130 
1 1 1 18  -12 4  o 81.17908 37.32156 -2.273325      4.050232  1.487650       4.622313  -21.33796      62.11111 
1 1 1 18  -12 5  f 87.78796 38.96359 -1.419904      3.973033  3.005992       4.551612  -26.81539      64.09127 
1 1 1 18  -12 6  o 97.63481 42.06494 1.391844       4.547540  1.718593       4.699318  -2.519272      67.44102 
1 1 1 18  -12 7  o 100.7673 44.35652 5.424084       6.470656  -0.5979999     4.700014  33.85784       73.15213 
1 1 1 18  -12 8  o 81.96223 39.55275 -7.652325      5.754176  1.714852       6.372041  -30.40221      67.32883 
1 1 1 18  -12 9  o 120.8084 50.61981 7.534307       6.228780  0.7400701      6.541999  28.96304       78.70633 
1 1 1 18  -12 10 o 111.3769 48.04214 2.518972       5.162721  4.002694       7.610220  -11.93090      76.53447 
1 1 1 18  -12 11 o 103.6292 49.71666 0.000000       0.000000  -1.613732      6.520893  ?              ?        
1 1 1 18  -12 12 o 113.5358 52.01243 2.381749       5.845333  0.000000       0.000000  ?              ?        
1 1 1 18  -12 13 o 79.50757 38.40975 -0.7822539E-01 5.313324  -7.367701      6.271796  13.47386       63.57706 
1 1 1 18  -12 14 o 133.6586 52.32104 6.910287       5.820966  5.615546       6.925431  7.067085       80.73806 
1 1 1 18  -12 15 o 84.29431 40.15363 1.314122       5.405456  -5.955194      6.270948  16.14437       65.46568 
1 1 1 18  -11 0  o 168.9662 43.55677 10.10180       4.642900  6.804423       4.547251  29.42883       76.52530 
1 1 1 18  -11 1  o 169.9380 53.57075 9.900743       6.253033  9.327737       6.364684  4.277954       87.60377 
1 1 1 18  -11 2  f 150.5987 53.58504 4.741485       5.861190  11.10808       6.845973  -36.10458      85.84937 
1 1 1 18  -11 3  o 188.2888 53.93005 15.50613       6.502137  6.865170       6.746820  60.87120       88.97044 
1 1 1 18  -11 4  o 99.35767 45.12962 -0.7425924     5.838706  1.103756       6.296886  -9.599197      73.31802 
1 1 1 18  -11 5  o 124.7269 51.63605 4.597925       6.360252  3.306880       6.699827  5.052872       81.49236 
1 1 1 18  -11 6  o 152.4192 52.40247 3.011664       5.676807  12.64272       6.361844  -61.74213      83.93019 
1 1 1 18  -11 7  o 85.46563 40.75476 -7.087134      5.705092  2.122873       6.340242  -33.78501      69.60499 
1 1 1 18  -11 8  o 152.6900 48.93047 6.311237       4.452354  8.891669       6.701343  -13.05406      82.34229 
1 1 1 18  -11 9  o 78.47619 36.77789 -1.779212      4.312324  -1.608068      4.720607  -4.312057      61.50076 
1 1 1 18  -11 10 o 94.72786 41.02887 2.731491       4.139687  -1.041355      4.824093  15.19682       66.01398 
1 1 1 18  -11 11 o 109.2173 50.79299 0.000000       0.000000  0.5362820      5.886065  ?              ?        
1 1 1 18  -11 12 o 72.10559 34.65224 -2.173761      3.876920  -4.659484      5.661179  -7.475082      59.16834 
1 1 1 18  -11 13 o 82.28833 37.80133 -0.2094706     3.830251  -1.563190      5.360613  -6.270805      62.75230 
1 1 1 18  -11 14 o 102.1433 43.27355 1.124361       4.080757  4.437177       5.895569  -23.80103      70.71425 
1 1 1 18  -11 15 f 80.39172 37.79898 -0.7983038     4.049964  -3.019323      6.326132  -8.244621      63.13802 
1 1 1 18  -11 16 o 84.09077 38.75886 -1.915465      3.917648  3.332939       6.220080  -34.00835      66.58640 
1 1 1 18  -10 0  o 104.8222 46.44991 3.316560       6.022077  -0.7893959     5.962578  17.31682       74.68251 
1 1 1 18  -10 1  o 228.8723 48.52013 14.15002       6.552461  16.38873       6.803664  -15.31613      92.88100 
1 1 1 18  -10 2  o 109.4958 43.34470 2.331966       4.113172  3.325691       4.676212  -9.286018      69.94473 
1 1 1 18  -10 3  o 109.1945 43.15811 3.595903       4.221041  1.762081       4.434828  11.10688       69.35481 
1 1 1 18  -10 4  o 142.2430 52.36583 7.416981       5.766514  4.301398       6.449770  17.70543       83.22585 
1 1 1 18  -10 5  o 170.4248 54.22899 8.955089       6.175971  9.165811       6.765844  0.1696167      89.21986 
1 1 1 18  -10 6  o 110.6575 48.04117 -2.362505      5.782566  6.911126       6.525646  -46.01571      78.45927 
1 1 1 18  -10 7  o 140.5169 53.18324 6.435422       6.014327  4.710370       6.768350  8.398895       84.62128 
1 1 1 18  -10 8  o 120.1880 50.76217 4.236053       6.427575  1.503314       6.567937  11.92673       81.00295 
1 1 1 18  -10 9  o 114.8913 48.67768 3.791087       5.677646  0.7164695      6.396680  11.14275       77.83186 
1 1 1 18  -10 10 f 106.1766 46.86823 0.4334921      5.554156  2.178574       6.690544  -13.31025      76.11342 
1 1 1 18  -10 11 o 132.1210 57.70944 0.000000       0.000000  4.386868       6.325972  ?              ?        
1 1 1 18  -10 12 o 105.2513 46.07965 1.752646       5.741422  1.284145       5.724376  2.151176       73.90088 
1 1 1 18  -10 13 o 175.8828 46.62600 16.22153       6.242363  5.580711       4.508412  76.42322       81.93216 
1 1 1 18  -10 14 o 101.0716 43.03310 9.762766       5.741944  -2.263628      4.118322  75.30936       72.73437 
1 1 1 18  -10 15 o 102.4887 43.71323 3.079580       5.688160  1.251697       4.366927  15.51146       70.81566 
1 1 1 18  -10 16 o 93.47594 41.48076 2.201730       5.614642  0.1656236      4.254363  16.57818       67.69200 
1 1 1 18  -10 17 o 102.8907 43.65919 3.757900       5.602095  1.361963       4.327232  17.13197       70.31196 
1 1 1 18  -10 18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  -9  0  o 100.6387 45.13654 -2.282392      5.631593  3.715341       6.068587  -27.43754      73.73936 
1 1 1 18  -9  1  o 129.1263 51.59832 6.810124       6.114618  1.892714       6.386310  24.67281       81.60046 
1 1 1 18  -9  2  o 148.1339 52.21260 6.335345       5.876145  6.698117       6.060661  -2.380646      84.17046 
1 1 1 18  -9  3  o 99.23640 44.27804 2.280720       5.382757  -2.091700      5.713316  17.02221       72.30968 
1 1 1 18  -9  4  o 182.6406 50.29884 9.191152       5.647734  10.06614       6.141768  -5.013565      87.13700 
1 1 1 18  -9  5  o 115.2171 45.55227 4.718734       5.512371  1.789725       4.334092  24.57253       74.60713 
1 1 1 18  -9  6  o 239.3533 31.44288 12.86925       4.420821  15.27708       4.703771  -20.93269      67.22131 
1 1 1 18  -9  7  o 72.73374 34.32620 -2.193410      3.883593  -2.475473      4.228918  -2.674187      58.54069 
1 1 1 18  -9  8  o 116.2764 43.12819 2.008416       3.940868  4.894853       4.366389  -24.13134      70.15089 
1 1 1 18  -9  9  o 171.0063 42.47442 8.334526       4.181045  7.276904       4.867324  13.04530       76.15306 
1 1 1 18  -9  10 o 108.3044 42.32466 1.247497       3.821530  4.275915       4.496326  -25.81164      69.15215 
1 1 1 18  -9  11 o 119.4244 43.73130 7.369234       4.283695  -0.4238212E-01 4.180013  57.54271       69.43988 
1 1 1 18  -9  12 o 73.25613 34.24618 -4.010847      3.889112  0.4304875      3.838760  -20.15909      58.18174 
1 1 1 18  -9  13 o 190.5358 37.69114 7.008211       4.210686  12.27764       4.388854  -53.55420      71.89972 
1 1 1 18  -9  14 o 223.6674 33.23736 13.44687       4.335454  11.88463       4.621333  20.27254       70.68368 
1 1 1 18  -9  15 o 93.26572 39.18038 1.692203       3.624538  1.036908       4.092514  0.7803726      63.38093 
1 1 1 18  -9  16 o 99.97102 40.64365 1.733018       3.676225  2.526703       4.293725  -8.848549      65.73275 
1 1 1 18  -9  17 o 89.84258 38.66419 0.6568010      3.724327  1.609926       4.093999  -8.104218      62.62314 
1 1 1 18  -9  18 o 77.79849 35.50192 -1.853782      3.642692  1.138026       3.984993  -17.98705      58.96915 
1 1 1 18  -9  19 o 91.13532 39.09002 5.483858       4.039432  -2.562706      3.880219  48.85357       63.23193 
1 1 1 18  -8  0  o 154.7461 52.33116 8.419531       6.063833  5.888503       5.879784  16.93228       85.08750 
1 1 1 18  -8  1  o 184.1736 51.26785 11.12478       6.022160  8.281060       6.122705  22.48605       88.03983 
1 1 1 18  -8  2  o 223.9357 34.58294 14.47940       4.678151  10.32082       4.621199  41.97673       71.48344 
1 1 1 18  -8  3  o 297.9700 26.83768 17.73977       4.762421  24.27878       5.066685  -50.13959      57.03445 
1 1 1 18  -8  4  o 102.1516 41.33287 2.526027       3.934118  0.7645247      4.203027  9.929413       67.36289 
1 1 1 18  -8  5  o 128.5652 43.92559 -1.477664      4.057866  10.63694       4.374413  -103.1291      66.38370 
1 1 1 18  -8  6  o 218.3465 33.69960 10.84053       4.380924  12.37291       4.455416  -15.50101      69.65838 
1 1 1 18  -8  7  o 274.1987 27.43542 18.05962       4.529379  17.17726       4.682268  9.148102       58.19993 
1 1 1 18  -8  8  o 417.9929 21.61607 39.86683       5.398121  39.96870       5.794485  1.984558       44.48800 
1 1 1 18  -8  9  o 208.2750 34.96185 7.088336       4.053641  15.74539       4.740761  -84.32677      68.84117 
1 1 1 18  -8  10 o 351.0685 23.36796 27.22425       4.795096  30.25080       5.374267  -15.61285      48.63823 
1 1 1 18  -8  11 o 111.5276 42.60437 4.352570       4.041345  1.153531       4.168927  22.95952       68.79002 
1 1 1 18  -8  12 o 97.33501 40.14444 2.693619       3.780273  -0.4598954E-01 4.082883  15.80029       65.22264 
1 1 1 18  -8  13 o 119.9422 43.10757 5.922993       3.998605  1.094152       4.178385  37.65195       69.17371 
1 1 1 18  -8  14 o 87.09721 37.98173 -0.3288473     3.966940  1.021926       3.764435  -6.068336      62.34483 
1 1 1 18  -8  15 f 93.81818 39.36005 -0.1940907     3.751554  2.965261       3.988476  -22.26064      64.12615 
1 1 1 18  -8  16 o 94.00336 39.32425 0.4951271      3.702493  2.527174       3.995535  -15.16146      63.84222 
1 1 1 18  -8  17 o 113.2512 41.80618 0.3079352      3.591172  7.601490       4.250184  -60.33273      67.33972 
1 1 1 18  -8  18 o 129.4232 42.91133 4.996691       3.891599  4.735196       4.153810  2.264236       70.28313 
1 1 1 18  -8  19 f 86.75446 37.85035 2.973987       3.701209  -1.899588      3.993359  25.37041       61.27028 
1 1 1 18  -8  20 o 96.77986 41.44415 5.323314       3.923137  -4.821713      5.220005  43.11750       64.86006 
1 1 1 18  -7  0  o 348.4537 24.46552 27.48883       5.189350  28.90990       5.322561  -8.615051      50.90587 
1 1 1 18  -7  1  o 112.5485 42.69207 2.301069       3.998871  3.212783       4.214447  -8.393578      69.62928 
1 1 1 18  -7  2  o 103.4527 45.57351 0.000000       0.000000  0.1966259      4.021422  ?              ?        
1 1 1 18  -7  3  o 116.7496 42.35377 4.169784       3.970161  2.029499       3.940533  17.94141       69.21464 
1 1 1 18  -7  4  o 315.6590 25.62695 28.68109       5.037809  17.57158       4.914256  83.49881       55.37805 
1 1 1 18  -7  5  o 115.9754 42.47945 6.756516       4.059823  -0.5803116     3.928498  61.20120       67.61858 
1 1 1 18  -7  6  o 112.4594 42.22578 0.6888336      3.994198  4.586077       3.986087  -30.94522      68.55988 
1 1 1 18  -7  7  o 84.92550 37.46243 -1.072571      3.749519  0.5975482      3.970246  -12.56787      62.68844 
1 1 1 18  -7  8  o 132.2792 42.45891 2.649766       3.824108  6.285027       4.084414  -34.91434      70.36708 
1 1 1 18  -7  9  o 411.5879 21.48463 41.43354       5.412107  35.39517       5.522339  34.94775       44.21832 
1 1 1 18  -7  10 o 206.2703 34.85118 11.13456       4.082958  9.452177       4.557308  21.23964       70.56965 
1 1 1 18  -7  11 o 155.7760 40.16806 10.68599       3.943286  1.967962       3.870725  87.77814       65.68276 
1 1 1 18  -7  12 o 259.4601 28.16783 13.98705       4.333930  18.25333       4.599754  -37.20970      60.24207 
1 1 1 18  -7  13 o 118.4303 44.37390 2.907093       3.747849  4.233010       5.586562  -18.19360      73.87627 
1 1 1 18  -7  14 o 157.0496 40.44155 7.644806       3.842185  5.149566       4.097159  26.11604       71.02729 
1 1 1 18  -7  15 o 106.0308 40.98116 1.950721       3.886251  2.919581       3.771847  -6.584358      66.44894 
1 1 1 18  -7  16 o 76.79996 35.13482 0.3101237      3.752691  -2.178154      3.757104  12.78244       58.82596 
1 1 1 18  -7  17 o 84.82111 37.33861 -0.5526991     3.543315  1.421759       4.150476  -16.66729      61.77775 
1 1 1 18  -7  18 f 70.17459 32.96010 -1.310437      3.444653  -2.347506      3.898995  -0.3444138     55.75352 
1 1 1 18  -7  19 o 151.5839 41.47245 8.924558       3.850256  3.755502       4.195826  50.21158       69.51401 
1 1 1 18  -7  20 o 82.26034 36.60043 -1.522564      3.589216  2.238386       3.953974  -23.92120      60.43687 
1 1 1 18  -7  21 o 90.73711 39.86256 0.3747008      3.763304  1.893863       5.243125  -16.51383      65.53316 
1 1 1 18  -6  0  o 429.8033 31.17644 43.76637       5.837611  0.000000       0.000000  ?              ?        
1 1 1 18  -6  1  o 112.8450 42.70561 6.025845       4.053982  -0.8554235     4.146340  52.35714       68.12576 
1 1 1 18  -6  2  o 242.1669 30.05853 16.28788       4.398623  11.27229       4.438729  49.85266       63.92380 
1 1 1 18  -6  3  o 68.15477 32.71923 -3.140215      3.881032  -4.153740      4.150627  0.6017761      57.20937 
1 1 1 18  -6  4  o 581.9589 18.99872 74.76231       6.710752  77.23827       6.996946  -8.718811      38.50465 
1 1 1 18  -6  5  o 305.2515 24.42965 21.52421       4.580476  20.99096       4.594083  4.208038       50.48498 
1 1 1 18  -6  6  o 105.3553 40.75339 2.111616       4.004788  1.905892       3.602337  5.313377       66.99381 
1 1 1 18  -6  7  o 256.0597 28.22949 11.68744       4.283645  19.13613       4.547413  -67.74626      60.10466 
1 1 1 18  -6  8  o 201.3933 34.50727 8.525115       4.092199  11.00039       4.222716  -26.30907      68.87693 
1 1 1 18  -6  9  o 555.5406 18.82167 69.71091       6.393746  68.70372       6.563248  4.861328       38.16391 
1 1 1 18  -6  10 o 76.78340 34.73330 1.946671       3.653649  -3.572838      3.440522  35.81936       59.29625 
1 1 1 18  -6  11 o 613.9891 18.49550 87.14294       7.108750  82.27879       6.966127  17.70782       37.49317 
1 1 1 18  -6  12 o 182.8428 37.09121 9.513283       4.041995  7.041334       4.084133  27.19708       70.58499 
1 1 1 18  -6  13 o 210.6748 45.34755 11.70526       4.066335  0.000000       0.000000  ?              ?        
1 1 1 18  -6  14 o 167.8680 38.77099 6.846584       3.845600  7.714873       4.076254  -8.442535      71.32291 
1 1 1 18  -6  15 o 294.8155 25.65697 19.74115       4.580417  20.98225       4.713363  -8.919037      54.01071 
1 1 1 18  -6  16 o 144.2681 41.82974 4.490705       3.875344  6.736976       4.051458  -21.81154      71.23551 
1 1 1 18  -6  17 f 224.1803 31.09776 10.31890       4.186068  14.48149       4.230823  -43.49692      65.99281 
1 1 1 18  -6  18 f 109.9450 41.26829 -0.8601106     3.599557  7.903362       4.063658  -72.01011      65.34687 
1 1 1 18  -6  19 o 76.27106 34.66028 -0.4928494     3.339573  -0.8135659     3.873080  -3.890457      57.79203 
1 1 1 18  -6  20 o 100.6814 39.94343 3.183871       3.548302  1.250263       3.911820  11.65855       64.06187 
1 1 1 18  -6  21 o 157.7567 40.42049 9.239713       3.875211  4.607487       4.078658  46.94267       69.79636 
1 1 1 18  -6  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  -5  0  o 249.6427 28.96442 16.21919       4.346539  12.93874       4.460127  32.61447       61.73391 
1 1 1 18  -5  1  o 468.2606 20.32222 49.88703       5.783995  48.92944       5.999888  5.725067       41.38952 
1 1 1 18  -5  2  o 127.9565 43.17730 -0.3199976     3.864536  9.063393       4.297556  -85.65857      67.73485 
1 1 1 18  -5  3  f 114.9419 42.23676 1.595573       3.757997  4.193913       4.179718  -24.95567      69.49883 
1 1 1 18  -5  4  o 195.4574 35.89049 7.338614       3.984872  11.39240       4.433482  -42.14938      69.84480 
1 1 1 18  -5  5  o 128.4744 43.19440 5.741498       3.932901  1.638950       4.216196  34.52859       70.52570 
1 1 1 18  -5  6  o 338.7736 22.99313 25.43062       4.709610  26.44054       4.902885  -6.133820      47.05289 
1 1 1 18  -5  7  o 98.55888 39.91554 4.052502       3.766540  -1.642463      3.818053  41.97391       64.98251 
1 1 1 18  -5  8  o 137.4187 41.79221 4.398912       3.866044  4.748186       3.891963  -3.565201      70.74395 
1 1 1 18  -5  9  o 234.6361 29.55159 13.91905       4.225466  11.66099       4.186854  22.64900       61.88532 
1 1 1 18  -5  10 o 277.9001 25.63639 17.91013       4.385308  17.43098       4.354059  3.921051       53.29659 
1 1 1 18  -5  11 o 249.6430 26.68882 14.27317       4.148471  14.46129       3.993833  -2.831802      55.99230 
1 1 1 18  -5  12 o 88.00813 38.80213 1.650783       5.414555  -1.106267      3.468920  36.14536       68.03145 
1 1 1 18  -5  13 o 114.3390 43.79356 2.337354       3.643021  3.383401       5.710711  -21.63480      73.91412 
1 1 1 18  -5  14 o 70.28349 32.84998 -5.710224      3.454384  2.274754       3.658732  -45.22768      57.58414 
1 1 1 18  -5  15 o 88.84907 37.79288 -0.8155851     3.487245  2.406119       3.824453  -25.06020      62.52757 
1 1 1 18  -5  16 o 109.5921 40.73121 3.728585       3.547992  1.483861       3.858907  16.30168       66.12508 
1 1 1 18  -5  17 o 227.5394 29.68106 13.05032       4.031636  11.90458       4.150221  13.38029       63.24947 
1 1 1 18  -5  18 o 257.9476 27.22554 18.08722       4.285111  13.75833       4.296355  41.25421       59.05121 
1 1 1 18  -5  19 o 129.0301 40.93605 3.981416       3.698229  5.120911       3.658417  -10.67271      68.03934 
1 1 1 18  -5  20 o 71.12334 33.14682 -1.677499      3.366590  -1.204516      3.826784  -7.461967      56.08401 
1 1 1 18  -5  21 o 109.4308 40.65937 3.879376       3.517789  2.257102       3.867281  11.38645       65.36722 
1 1 1 18  -5  22 o 254.0441 27.12657 15.93174       4.136632  15.81637       4.284826  3.493988       59.32579 
1 1 1 18  -4  0  o 443.7839 19.91369 43.75085       5.369787  44.97182       5.571895  -5.495087      40.50049 
1 1 1 18  -4  1  f 153.5473 40.97277 2.365017       3.815389  9.987472       4.156374  -78.00718      68.06503 
1 1 1 18  -4  2  o 93.98886 39.30921 1.525935       3.669554  -0.2531145     4.028297  8.219971       64.95377 
1 1 1 18  -4  3  o 135.3650 42.25074 1.768449       3.751003  7.588756       4.145743  -58.02902      69.41821 
1 1 1 18  -4  4  f 252.0593 28.69376 14.70708       4.227180  14.47574       4.611239  4.343857       60.27353 
1 1 1 18  -4  5  o 262.8508 39.52699 16.43109       4.416306  0.000000       0.000000  ?              ?        
1 1 1 18  -4  6  o 320.7430 24.08719 23.95830       4.688371  22.44290       4.829698  11.67502       49.50311 
1 1 1 18  -4  7  o 319.2631 23.61159 22.71672       4.540848  23.27551       4.752534  -3.243805      48.38318 
1 1 1 18  -4  8  o 174.5755 38.65314 7.136259       3.952053  7.580277       4.210770  -4.654770      71.68813 
1 1 1 18  -4  9  o 348.9703 21.82430 26.07969       4.535661  28.83665       4.885246  -17.06979      44.47413 
1 1 1 18  -4  10 o 215.3874 30.38451 9.612599       3.887249  12.01895       4.009604  -25.38867      62.68765 
1 1 1 18  -4  11 o 410.9541 19.86746 34.83147       4.953521  41.08731       5.151656  -34.52975      40.35628 
1 1 1 18  -4  12 o 147.3748 49.14072 0.000000       0.000000  5.324114       3.723166  ?              ?        
1 1 1 18  -4  13 o 128.6868 41.69507 2.826387       3.765293  5.200665       3.838279  -22.93692      69.26579 
1 1 1 18  -4  14 o 208.1089 30.49310 10.18472       3.850396  10.28954       3.789782  -1.585434      63.06893 
1 1 1 18  -4  15 o 289.1730 33.54671 0.000000       0.000000  20.06173       4.176228  ?              ?        
1 1 1 18  -4  16 o 106.9701 39.53574 3.129911       3.488685  1.966710       3.454032  10.29121       64.58308 
1 1 1 18  -4  17 o 132.5502 41.11446 6.544924       3.807904  2.677443       3.659027  37.87637       68.19975 
1 1 1 18  -4  18 o 138.7611 41.27108 6.575727       3.722395  3.453686       3.912296  30.16142       69.13276 
1 1 1 18  -4  19 o 184.7524 34.76940 11.26429       3.819498  6.032573       3.857955  58.37666       66.69619 
1 1 1 18  -4  20 o 197.8259 31.84834 6.177458       3.658633  14.01078       3.904617  -84.24481      63.32003 
1 1 1 18  -4  21 o 85.21492 36.63704 0.6160994      3.222569  0.7445207      3.842128  -6.452812      60.16468 
1 1 1 18  -4  22 o 125.9238 40.99284 3.641649       3.446475  5.631404       3.948216  -17.98655      67.86479 
1 1 1 18  -4  23 o 81.71576 36.16311 0.7728813      3.412896  -0.3042300     3.870748  2.108727       59.04406 
1 1 1 18  -3  0  o 307.2716 24.24321 23.29023       4.541257  19.65502       4.626972  28.46872       50.41742 
1 1 1 18  -3  1  o 222.3415 30.64084 11.13483       3.936818  11.99460       4.317092  -6.839005      63.71158 
1 1 1 18  -3  2  o 287.1936 25.42809 23.24962       4.502227  14.31532       4.464622  74.00993       54.59834 
1 1 1 18  -3  3  o 164.2865 39.91454 5.684832       3.849617  7.574660       4.231492  -20.50331      71.84252 
1 1 1 18  -3  4  o 487.4117 19.70970 52.50885       5.734789  53.51830       6.184586  -3.521576      39.94005 
1 1 1 18  -3  5  f 204.0617 34.56596 7.575652       3.943305  12.69576       4.563151  -52.61641      68.23206 
1 1 1 18  -3  6  o 458.0530 19.72495 45.65028       5.414113  48.00018       5.787561  -10.83945      39.90881 
1 1 1 18  -3  7  o 656.4913 18.55195 92.38435       7.308588  99.62672       7.811333  -24.17084      37.40712 
1 1 1 18  -3  8  o 219.2035 31.89035 8.969844       4.055175  13.64693       4.382369  -47.60796      65.09105 
1 1 1 18  -3  9  o 239.1669 29.17569 11.98976       4.135221  14.36284       4.351068  -22.45361      60.73314 
1 1 1 18  -3  10 o 266.6898 26.26723 15.14811       4.247324  17.21515       4.332190  -18.00121      54.55055 
1 1 1 18  -3  11 o 376.8086 20.55729 33.52232       4.774577  30.01507       4.799329  21.67780       41.82065 
1 1 1 18  -3  12 o 232.4748 33.41453 7.177795       5.750365  15.38149       4.046999  -83.72531      71.42328 
1 1 1 18  -3  13 o 171.4978 35.46445 5.735907       3.621572  8.452087       3.675412  -31.25246      66.57648 
1 1 1 18  -3  14 o 393.7795 19.62886 33.78683       4.754904  35.89398       4.804718  -12.21445      39.89951 
1 1 1 18  -3  15 f 257.8338 37.09158 16.07193       4.074292  0.000000       0.000000  ?              ?        
1 1 1 18  -3  16 o 417.3926 18.89384 34.23566       4.749192  44.91659       5.020629  -58.03149      38.60167 
1 1 1 18  -3  17 o 309.1887 21.91544 21.74386       4.263684  22.11971       4.093618  -4.101837      45.37518 
1 1 1 18  -3  18 o 171.4966 36.79661 6.118934       3.703523  8.881366       3.898524  -30.00050      68.82314 
1 1 1 18  -3  19 o 170.9866 35.32263 6.848247       3.627978  7.956526       3.617067  -12.86206      67.33304 
1 1 1 18  -3  20 o 149.8380 38.10922 7.041792       3.618141  4.913606       3.485226  22.88086       67.53629 
1 1 1 18  -3  21 o 111.8694 39.15512 4.431581       3.395855  2.123291       3.308361  21.31801       63.77181 
1 1 1 18  -3  22 o 100.9773 38.72757 2.741571       3.283681  1.934235       3.529082  4.989548       62.61182 
1 1 1 18  -3  23 o 95.11875 38.74257 -0.4129581     3.383343  4.743983       3.855320  -39.52427      62.95263 
1 1 1 18  -3  24 f 194.9861 32.63073 10.51017       3.644969  9.196835       3.993842  19.87787       67.41144 
1 1 1 18  -2  0  o 200.4266 47.58473 10.16065       4.120515  0.000000       0.000000  ?              ?        
1 1 1 18  -2  1  o 436.8801 20.23237 42.77125       5.427973  42.66586       5.509333  0.8305054      41.02139 
1 1 1 18  -2  2  o 146.2977 42.85308 6.312269       4.092463  3.975967       4.184768  22.45628       72.77442 
1 1 1 18  -2  3  o 246.7372 28.89172 17.00690       4.198484  10.42439       4.493335  65.05487       62.16490 
1 1 1 18  -2  4  o 86.45526 37.88066 0.5050383      3.669014  -1.547560      4.134802  6.710907       63.59830 
1 1 1 18  -2  5  o 494.1270 18.87915 54.83749       5.607160  53.59928       5.961378  6.583923       38.19578 
1 1 1 18  -2  6  o 391.4708 20.71944 34.60646       4.906028  33.67569       5.128441  6.084534       42.03439 
1 1 1 18  -2  7  o 480.4776 19.39812 52.38650       5.696741  50.17992       5.845593  10.91949       39.19646 
1 1 1 18  -2  8  o 154.1234 40.55516 9.033635       3.908553  2.249745       3.949869  69.70901       67.64478 
1 1 1 18  -2  9  o 275.7183 25.59064 18.28244       4.165977  15.85996       4.508066  22.22638       53.56926 
1 1 1 18  -2  10 o 294.8078 23.69062 20.06600       4.261041  19.00897       4.331803  8.673248       48.60299 
1 1 1 18  -2  11 o 111.5057 41.00106 3.249099       3.736988  1.626227       3.713543  14.31696       67.46973 
1 1 1 18  -2  12 o 431.2421 19.51753 44.54101       5.356965  38.74189       5.070014  30.19397       39.49411 
1 1 1 18  -2  13 o 150.3878 39.14540 5.311918       3.622669  5.662892       3.754328  -4.126831      69.07281 
1 1 1 18  -2  14 o 347.4222 20.52161 29.95924       4.447227  24.36674       4.360026  37.11917       41.95869 
1 1 1 18  -2  15 o 221.6673 28.72413 13.43327       3.943392  9.594390       3.775905  39.85089       60.01409 
1 1 1 18  -2  16 o 315.0009 21.90606 20.36513       4.227097  24.72230       4.281034  -32.20862      45.19426 
1 1 1 18  -2  17 o 290.9745 21.96231 19.05704       3.979763  19.59578       3.891476  -4.937866      45.37009 
1 1 1 18  -2  18 o 140.8395 39.24084 7.348400       3.576890  2.920173       3.534314  46.63527       66.18926 
1 1 1 18  -2  19 o 209.0545 30.53718 14.08793       3.897801  7.195837       3.790907  74.53889       62.76262 
1 1 1 18  -2  20 o 150.3271 39.16282 5.210057       3.575306  6.788335       3.811944  -16.32066      69.11647 
1 1 1 18  -2  21 o 105.7504 39.21304 -0.7667577     3.285151  6.738040       3.572493  -66.28264      61.93333 
1 1 1 18  -2  22 o 168.1947 35.44022 6.337905       3.634966  8.393538       3.528960  -24.34555      66.99760 
1 1 1 18  -2  23 o 81.39526 35.43248 1.157239       3.352085  -0.2245984     3.344182  8.775635       57.96587 
1 1 1 18  -2  24 o 84.81898 35.99794 0.2547722      3.194713  1.776258       3.402239  -11.98110      58.58532 
1 1 1 18  -1  0  o 236.2702 29.21240 15.25238       4.278065  10.74848       4.107843  44.22369       61.22554 
1 1 1 18  -1  1  o 523.1730 18.97554 63.60713       6.197177  58.50563       6.100027  22.20056       38.35233 
1 1 1 18  -1  2  o 206.6782 34.58418 11.45948       4.140260  8.370369       4.429128  33.91957       69.09119 
1 1 1 18  -1  3  o 463.4112 19.54554 47.59931       5.449423  48.02601       5.776932  -1.302704      39.54671 
1 1 1 18  -1  4  o 297.7265 25.31529 16.02050       4.380031  24.97343       4.930931  -68.20526      52.46423 
1 1 1 18  -1  5  o 230.9039 32.21462 11.70477       4.382529  12.87786       4.603209  -10.95592      66.31478 
1 1 1 18  -1  6  o 600.5606 18.96168 77.87559       6.853290  82.38739       7.275934  -16.42609      38.21125 
1 1 1 18  -1  7  o 572.5446 18.99784 69.40135       6.517135  76.49437       6.982859  -27.52960      38.27671 
1 1 1 18  -1  8  o 532.5898 19.07305 61.13202       6.072268  65.00797       6.535464  -15.80042      38.47225 
1 1 1 18  -1  9  f 223.1653 32.90350 13.88418       4.313816  8.827368       4.531105  52.52054       67.35083 
1 1 1 18  -1  10 o 418.7899 19.22869 38.73064       4.880185  39.23884       5.090413  -2.321503      38.85644 
1 1 1 18  -1  11 o 342.8399 30.45825 0.000000       0.000000  26.74169       4.532714  ?              ?        
1 1 1 18  -1  12 o 329.7039 21.67903 23.67004       4.299213  25.07059       4.528172  -9.144073      44.12590 
1 1 1 18  -1  13 o 397.0182 19.33328 31.94002       4.599562  38.79933       4.909723  -38.96451      39.15329 
1 1 1 18  -1  14 o 324.7530 22.07131 23.20518       4.447224  24.21224       4.393007  -7.448700      45.08230 
1 1 1 18  -1  15 o 351.6818 20.19515 26.76735       4.312441  28.81207       4.465896  -12.91879      41.07513 
1 1 1 18  -1  16 o 137.1646 39.20720 4.650058       3.523968  4.584046       3.482203  0.8435211      67.39744 
1 1 1 18  -1  17 o 171.7511 34.35425 11.50863       3.581286  3.037625       3.485061  94.57646       60.92599 
1 1 1 18  -1  18 o 383.3972 19.06044 32.08262       4.548668  34.35742       4.489741  -14.14111      38.92633 
1 1 1 18  -1  19 o 80.56732 35.08797 -0.9977006     3.299915  1.131410       3.273210  -13.89256      58.21675 
1 1 1 18  -1  20 o 82.31086 35.71606 -0.2307860     3.331335  0.6599818      3.429354  -6.979988      59.13947 
1 1 1 18  -1  21 o 154.7726 37.94283 6.078384       3.558266  6.496763       3.672974  -4.199158      68.41068 
1 1 1 18  -1  22 o 104.6869 38.52224 1.843619       3.264347  3.520867       3.315024  -14.87457      62.53090 
1 1 1 18  -1  23 o 69.35109 31.86952 -2.889536      3.203013  0.8345891      3.073926  -19.23358      53.60401 
1 1 1 18  -1  24 o 96.19570 38.30526 3.523106       3.467023  0.6278762      3.394848  22.00884       61.63482 
1 1 1 18  -1  25 o 104.2497 38.75488 2.753042       3.299966  2.971683       3.390471  -2.150284      62.48829 
1 1 1 18  0   0  o 257.5241 27.53673 13.52880       4.236455  17.02250       4.431590  -31.26094      57.61766 
1 1 1 18  0   1  o 111.6152 41.99117 1.787192       3.966964  2.873528       3.933476  -8.565178      69.04621 
1 1 1 18  0   2  o 457.7725 19.72348 48.02066       5.547329  45.30309       5.628866  13.91452       39.90832 
1 1 1 18  0   3  o 264.6559 27.31007 14.48505       4.315663  17.42572       4.530614  -25.42218      56.68784 
1 1 1 18  0   4  o 94.74552 40.12638 1.570803       3.893360  -1.161700      4.291405  13.23289       66.69361 
1 1 1 18  0   5  o 785.5342 19.03858 130.3150       8.957704  144.0610       9.633468  -38.88385      38.36068 
1 1 1 18  0   6  o 303.4019 26.76829 25.49747       5.005999  16.01786       4.966929  73.92181       56.93196 
1 1 1 18  0   7  o 52.68676 26.58168 -10.07457      4.004134  -8.363681      4.180597  -6.821060      49.66671 
1 1 1 18  0   8  o 329.6286 24.30999 23.66051       4.809426  25.04958       5.072740  -9.072113      49.58282 
1 1 1 18  0   9  o 623.9014 18.46610 87.67822       7.065055  84.67062       7.215042  11.32617       37.18720 
1 1 1 18  0   10 o 309.6302 24.34142 19.69164       4.459412  23.60860       4.839214  -28.33755      49.75848 
1 1 1 18  0   11 o 287.3313 24.14410 19.25018       4.136303  17.72202       4.403460  13.40765       49.82845 
1 1 1 18  0   12 o 319.4590 22.17101 24.05227       4.279641  21.50690       4.458454  19.13687       45.40707 
1 1 1 18  0   13 o 438.5810 18.89087 46.32943       5.129752  39.24717       5.125082  37.24875       38.29749 
1 1 1 18  0   14 o 716.7210 17.98775 121.8062       7.944489  106.2796       8.038293  50.05432       36.36833 
1 1 1 18  0   15 o 105.5510 44.00856 0.000000       0.000000  1.012869       3.384575  ?              ?        
1 1 1 18  0   16 o 492.1787 17.44101 58.11393       5.466560  50.32670       5.178110  35.52548       35.24394 
1 1 1 18  0   17 o 84.71903 35.60341 1.018905       3.138538  -0.2988221E-01 3.203437  7.119095       58.97828 
1 1 1 18  0   18 o 91.06609 36.84395 1.705483       3.223299  0.5708488      3.231111  9.003876       60.56337 
1 1 1 18  0   19 o 287.5625 22.44544 21.37676       4.130927  16.97206       3.830367  34.04068       46.62844 
1 1 1 18  0   20 o 94.05723 37.51545 0.3778028      3.258765  2.672635       3.333948  -19.07653      61.26949 
1 1 1 18  0   21 o 309.6477 21.36809 22.09389       3.989129  22.08100       4.175732  1.597015       44.30595 
1 1 1 18  0   22 o 99.86566 38.44751 4.863515       3.402656  -0.3915702     3.318162  43.81307       61.64614 
1 1 1 18  0   23 o 94.38139 37.02020 3.875198       3.168242  -0.1011374     3.152288  32.57691       59.57987 
1 1 1 18  0   24 o 213.7844 26.72713 9.476655       3.495432  12.79023       3.439620  -38.39024      57.78386 
1 1 1 18  0   25 o 67.79741 31.73068 -0.8246164     3.414952  -1.925599      3.256215  7.128487       53.45541 
1 1 1 18  0   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  1   0  o 348.5634 21.93608 29.17578       4.814313  25.58655       4.629114  23.26801       44.73365 
1 1 1 18  1   1  o 284.1210 25.66153 20.47548       4.556352  16.25370       4.396041  34.41476       53.24966 
1 1 1 18  1   2  o 590.7418 18.54741 76.74786       6.799236  78.27416       6.777344  -5.989929      37.38766 
1 1 1 18  1   3  o 263.9370 27.64730 15.15536       4.427769  16.44989       4.491885  -11.37430      57.35287 
1 1 1 18  1   4  o 328.5754 25.45120 26.79074       5.201543  21.79900       5.094333  35.23334       52.30849 
1 1 1 18  1   5  o 409.3853 22.19436 42.49900       5.703383  32.47564       5.530954  56.24280       45.22850 
1 1 1 18  1   6  o 166.1869 39.54974 6.336849       3.901962  6.752931       4.144821  -4.946793      71.59087 
1 1 1 18  1   7  o 93.99117 39.52964 -1.478278      3.837106  2.454447       3.993375  -29.53170      65.86652 
1 1 1 18  1   8  o 185.1213 37.35072 6.306668       4.031232  9.946898       4.260380  -39.50194      70.20918 
1 1 1 18  1   9  o 130.2811 42.14055 5.281062       3.868750  2.316460       3.899239  28.21042       69.94570 
1 1 1 18  1   10 o 343.0955 22.23815 24.71942       4.668190  27.81999       4.747681  -20.77386      45.19255 
1 1 1 18  1   11 o 455.6717 19.57880 48.18797       5.469738  43.89429       5.574310  21.92249       39.58874 
1 1 1 18  1   12 o 450.5918 19.22523 44.67736       5.219414  45.52120       5.515468  -3.690521      38.83080 
1 1 1 18  1   13 o 174.3857 36.26161 1.749987       3.597400  13.98368       4.028152  -128.8146      60.56343 
1 1 1 18  1   14 o 421.2939 26.61314 40.04459       4.892799  0.000000       0.000000  ?              ?        
1 1 1 18  1   15 o 403.8923 26.74271 0.000000       0.000000  36.93550       4.711072  ?              ?        
1 1 1 18  1   16 o 213.7765 27.92199 11.14544       3.596166  9.908297       3.632759  13.86290       58.05658 
1 1 1 18  1   17 o 116.6376 39.17288 1.392108       3.319492  4.911316       3.371414  -35.22410      64.17677 
1 1 1 18  1   18 o 411.8383 18.13211 37.43189       4.625708  38.60619       4.616083  -6.640442      36.78246 
1 1 1 18  1   19 o 371.2467 18.70648 28.08832       4.241206  34.23197       4.348965  -37.95499      38.23314 
1 1 1 18  1   20 o 86.37553 35.69891 1.254251       3.056637  0.5431423      3.168112  4.272728       58.61573 
1 1 1 18  1   21 o 71.94256 32.29089 -0.8357815     2.890798  -0.2377852     3.109362  -6.755219      54.29855 
1 1 1 18  1   22 o 115.3254 37.96932 2.046227       3.094678  4.843309       3.200433  -28.63779      62.44238 
1 1 1 18  1   23 o 193.5315 27.73462 8.747497       3.189434  9.566544       3.281613  -8.874985      58.41846 
1 1 1 18  1   24 o 146.1416 34.12820 2.883258       2.997111  8.439711       3.079660  -65.53120      59.24720 
1 1 1 18  1   25 o 234.2390 22.75489 11.73411       3.403526  14.29319       3.141670  -30.58337      49.87929 
1 1 1 18  1   26 o 94.68226 37.81553 5.735156       4.189143  0.2997165      2.876043  46.63060       63.39800 
1 1 1 18  2   0  o 279.9116 25.67301 13.84675       4.391421  21.83578       4.425034  -67.90585      54.90673 
1 1 1 18  2   1  o 517.6628 19.06550 64.53223       6.294102  55.31138       5.944467  40.07138       38.50417 
1 1 1 18  2   2  o 78.47831 35.88998 -0.8516129     3.971609  -2.397765      3.857848  10.00004       61.49782 
1 1 1 18  2   3  o 525.0160 18.99196 60.91520       6.197445  61.44304       6.152953  -2.404602      38.28624 
1 1 1 18  2   4  o 98.08125 42.08236 1.240727       4.596445  -1.094657      4.581883  14.42683       70.34959 
1 1 1 18  2   5  o 101.9717 41.89456 -0.5212367     4.190715  2.500594       4.313417  -22.53381      69.45208 
1 1 1 18  2   6  o 168.7694 39.05104 4.456038       3.946844  9.128667       4.070319  -50.60040      69.65050 
1 1 1 18  2   7  o 277.8823 25.96425 13.34566       4.289644  21.89465       4.571395  -71.53076      54.60685 
1 1 1 18  2   8  o 469.1732 18.75614 53.88407       5.541116  43.95697       5.358942  48.30927       37.88077 
1 1 1 18  2   9  o 469.9726 26.06293 49.36648       5.351715  0.000000       0.000000  ?              ?        
1 1 1 18  2   10 o 159.6725 38.76483 6.728302       3.846496  5.334054       3.756191  15.67268       69.55408 
1 1 1 18  2   11 o 310.2527 22.59278 21.87430       4.327750  21.10336       4.308953  5.736298       45.99232 
1 1 1 18  2   12 o 441.2915 19.29632 46.30283       5.360353  40.31870       5.183016  30.85400       38.95325 
1 1 1 18  2   13 o 468.6264 21.43752 50.13320       7.709512  48.31087       5.349218  3.139069       46.22876 
1 1 1 18  2   14 o 285.1282 31.69185 18.61361       3.896706  0.000000       0.000000  ?              ?        
1 1 1 18  2   15 f 252.0540 24.62578 13.97052       3.729028  14.79936       3.877916  -7.129272      50.92015 
1 1 1 18  2   16 o 366.1010 19.33630 26.90056       4.307637  33.16474       4.447102  -39.16745      39.32019 
1 1 1 18  2   17 o 83.56830 35.68411 -1.323996      3.200943  1.870846       3.345898  -25.24978      59.51537 
1 1 1 18  2   18 o 293.8924 21.72561 18.09528       3.961096  20.97171       3.904980  -23.30249      44.83503 
1 1 1 18  2   19 o 204.4413 28.61736 9.666432       3.626832  9.960039       3.440455  -4.688049      59.57653 
1 1 1 18  2   20 o 353.2819 18.65249 26.62970       4.027642  29.94431       4.120282  -21.34546      38.11670 
1 1 1 18  2   21 o 122.7436 38.55155 1.855011       3.205966  5.937599       3.337449  -42.58273      63.40467 
1 1 1 18  2   22 o 276.0111 21.10511 18.88304       3.586443  16.24178       3.585783  22.75174       44.02148 
1 1 1 18  2   23 o 263.7725 21.76462 13.66155       3.537248  18.75472       3.521885  -46.69298      46.61048 
1 1 1 18  2   24 o 180.2773 29.61763 8.785208       3.232663  7.490794       3.162904  15.32408       60.74247 
1 1 1 18  2   25 o 86.83049 35.48408 -1.288766      3.033792  3.959769       3.024170  -40.71858      57.00570 
1 1 1 18  2   26 o 100.5080 41.36371 -0.9989318     4.369648  4.951520       3.965501  -34.09451      65.44158 
1 1 1 18  2   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  3   0  o 162.2222 40.30286 7.302543       4.077685  5.548522       3.998708  18.68018       71.89200 
1 1 1 18  3   1  o 241.2999 29.00184 11.54017       4.233030  15.18797       4.275658  -35.69241      60.70913 
1 1 1 18  3   2  o 264.1157 27.34085 17.89692       4.542745  13.99236       4.296956  33.96617       56.87487 
1 1 1 18  3   3  o 333.1768 23.27805 24.89397       4.834211  24.81080       4.729041  0.2651672      47.43082 
1 1 1 18  3   4  o 685.1193 18.98278 101.6352       8.040889  106.4203       8.078818  -15.96448      38.21091 
1 1 1 18  3   5  o 342.0710 24.10430 27.94996       5.166909  24.47391       5.001205  23.20383       49.10937 
1 1 1 18  3   6  o 538.8510 18.33640 67.07130       6.199401  61.59155       6.043968  23.08752       36.90494 
1 1 1 18  3   7  o 1065.683 20.26103 260.1028       13.68391  243.5244       13.12152  34.75964       40.77267 
1 1 1 18  3   8  o 688.0641 17.89701 98.87073       7.504172  110.8953       7.767272  -39.64923      35.98283 
1 1 1 18  3   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  3   10 o 487.9400 18.13971 55.68330       5.611760  49.96422       5.358892  26.48312       36.51583 
1 1 1 18  3   11 o 566.0383 17.65045 66.71876       6.061825  75.37612       6.326545  -34.64606      35.50366 
1 1 1 18  3   12 o 789.0992 17.87553 143.1760       8.972873  132.6660       8.542906  29.84412       35.96425 
1 1 1 18  3   13 o 465.6123 27.00566 0.000000       0.000000  48.64740       5.491776  ?              ?        
1 1 1 18  3   14 f 433.6945 20.96996 43.75100       4.903003  38.32700       6.801686  34.25388       46.15148 
1 1 1 18  3   15 o 170.5463 34.48400 6.162049       3.456525  7.603341       3.592680  -16.94955      65.38745 
1 1 1 18  3   16 o 320.0639 21.36694 21.21937       4.138732  24.85271       4.301886  -25.85303      43.57676 
1 1 1 18  3   17 o 197.6078 28.48145 10.71150       3.372237  7.331071       3.409246  39.66486       58.53332 
1 1 1 18  3   18 o 89.93974 36.72180 1.020484       3.183646  0.8461677      3.300296  -0.3021240E-02 60.62963 
1 1 1 18  3   19 o 151.6376 36.16043 5.773113       3.316922  5.520925       3.391084  2.993362       65.56138 
1 1 1 18  3   20 o 261.2722 23.24467 14.35131       3.744275  17.01577       3.712003  -24.58965      48.74005 
1 1 1 18  3   21 o 228.3291 25.01723 12.66475       3.522707  11.77627       3.449309  8.711288       52.92812 
1 1 1 18  3   22 o 86.16040 35.40209 3.450017       3.141298  -1.148677      2.940134  39.08331       57.92661 
1 1 1 18  3   23 f 130.8207 36.59934 3.365582       3.132723  5.538539       3.041396  -24.46548      62.60892 
1 1 1 18  3   24 o 182.6228 39.50963 10.45721       4.546851  7.884752       4.168818  22.99620       74.62426 
1 1 1 18  3   25 o 215.1935 35.95482 11.41546       4.640828  12.92358       4.619962  -15.90414      74.47153 
1 1 1 18  3   26 o 174.9053 41.74289 7.999701       4.451938  9.799031       4.479883  -17.01677      75.91913 
1 1 1 18  3   27 o 65.55146 30.96861 -3.918254      2.958547  2.262856       3.821254  -38.97326      54.90648 
1 1 1 18  4   0  o 258.3046 28.44138 20.21252       4.656530  11.11182       4.325511  81.81316       60.54771 
1 1 1 18  4   1  f 400.3620 21.07308 37.10836       5.334198  34.69949       5.103696  13.21423       42.74817 
1 1 1 18  4   2  o 334.7124 23.30112 24.95241       4.784816  25.32947       4.831081  -2.472870      47.52506 
1 1 1 18  4   3  o 108.0430 41.89095 0.1924818      3.956086  3.630942       4.064192  -28.20348      68.79448 
1 1 1 18  4   4  o 377.8597 22.79441 30.21504       5.250731  33.59952       5.387987  -20.41064      46.27225 
1 1 1 18  4   5  o 536.0563 19.98178 67.97006       6.688217  59.63218       6.578834  35.56537       40.32078 
1 1 1 18  4   6  o 517.3947 18.74765 64.50967       6.158947  54.52414       5.866001  43.79300       37.77033 
1 1 1 18  4   7  o 649.2125 18.06904 95.29381       7.363651  91.22375       7.179230  14.09589       36.32715 
1 1 1 18  4   8  o 777.1713 18.18094 137.0292       8.890536  130.1213       8.644538  20.01105       36.57347 
1 1 1 18  4   9  o 487.6415 18.48491 59.41813       5.797097  46.78265       5.388213  58.70184       37.26214 
1 1 1 18  4   10 o 832.6645 18.14393 151.7159       9.361793  154.7469       9.381608  -8.314209      36.49143 
1 1 1 18  4   11 o 209.8666 30.95483 8.948802       3.890359  11.22216       3.927902  -24.75690      62.99462 
1 1 1 18  4   12 o 286.0825 33.23880 0.000000       0.000000  18.66139       4.093416  ?              ?        
1 1 1 18  4   13 o 533.2083 25.57648 0.000000       0.000000  63.56528       5.964455  ?              ?        
1 1 1 18  4   14 o 173.3367 37.20642 8.534033       3.854229  5.613198       3.908177  32.55762       68.77056 
1 1 1 18  4   15 o 328.7620 20.73443 25.53361       4.160339  22.66577       4.255263  20.55185       42.27842 
1 1 1 18  4   16 f 153.7749 36.86927 5.826621       3.419874  5.470113       3.525234  3.986786       66.59356 
1 1 1 18  4   17 o 503.3219 16.62345 57.52863       5.169213  55.02246       5.197037  11.52502       33.52909 
1 1 1 18  4   18 o 279.5084 21.51964 17.38552       3.656502  17.89870       3.750225  -3.874298      44.14132 
1 1 1 18  4   19 f 128.5046 37.71198 3.149462       3.087063  5.059328       3.330758  -22.14832      64.22385 
1 1 1 18  4   20 o 108.4797 43.82277 1.913386       3.222847  0.000000       0.000000  ?              ?        
1 1 1 18  4   21 o 225.0225 24.91842 13.36126       3.480936  10.42896       3.362244  30.31757       52.83565 
1 1 1 18  4   22 o 300.0300 19.78457 19.68781       3.665422  21.42135       3.657890  -13.65247      40.77489 
1 1 1 18  4   23 o 184.1090 41.33812 7.778467       4.511206  10.48385       4.705283  -25.56313      76.67721 
1 1 1 18  4   24 o 173.8786 41.07225 7.665773       4.390245  8.935496       4.328461  -13.10124      75.00905 
1 1 1 18  4   25 o 298.7414 27.27188 21.76262       5.446697  21.86122       4.644950  -13.07291      60.56101 
1 1 1 18  4   26 o 133.8625 38.37638 7.992043       3.116268  1.094039       3.648850  67.89367       60.61526 
1 1 1 18  4   27 o 125.2428 42.74209 4.230037       4.136948  5.227914       3.845700  -8.226555      69.11718 
1 1 1 18  5   0  o 387.3638 21.73436 34.90736       5.235754  32.59974       5.168104  13.59186       44.25532 
1 1 1 18  5   1  o 194.6611 36.25806 6.572356       4.195711  11.45100       4.238995  -52.22235      69.51454 
1 1 1 18  5   2  o 244.1590 29.40097 12.40409       4.268480  15.00453       4.465088  -24.32320      61.20706 
1 1 1 18  5   3  o 386.0178 21.45920 31.27027       4.993237  35.43883       5.253224  -24.27979      43.50106 
1 1 1 18  5   4  o 242.7003 30.40328 15.04467       4.513904  11.88605       4.441215  30.43170       63.16220 
1 1 1 18  5   5  o 556.2352 19.50697 70.66098       6.738060  66.55061       6.702774  16.91949       39.30704 
1 1 1 18  5   6  o 132.1294 44.17183 6.408119       4.303967  1.383096       4.205578  45.59827       72.26807 
1 1 1 18  5   7  o 346.2100 22.32762 21.03521       4.596560  33.30095       4.963642  -81.16904      46.00151 
1 1 1 18  5   8  o 224.6887 30.40647 11.77262       4.132004  11.22462       4.126718  5.684204       62.54937 
1 1 1 18  5   9  o 400.3933 20.01255 34.95940       4.953598  36.18332       4.956015  -7.043365      40.41088 
1 1 1 18  5   10 o 410.7920 20.05709 37.22200       5.144127  37.65536       5.048333  -2.615784      40.50068 
1 1 1 18  5   11 o 408.8543 19.38071 38.50993       5.032054  35.76629       4.780343  14.97293       39.10510 
1 1 1 18  5   12 o 203.0280 32.16784 9.587963       3.992404  9.373071       3.844596  1.991745       64.77648 
1 1 1 18  5   13 o 345.5478 26.53548 25.80028       7.066828  27.28554       4.836348  -17.50345      59.91373 
1 1 1 18  5   14 o 218.3260 31.27143 10.82027       4.108088  11.06413       4.120684  -2.543259      64.08030 
1 1 1 18  5   15 o 426.2344 17.99443 38.17329       4.693253  42.58596       4.802761  -23.58859      36.32041 
1 1 1 18  5   16 o 221.7668 26.86412 10.87399       3.587310  11.57468       3.654325  -7.171280      55.78919 
1 1 1 18  5   17 o 451.1342 17.24674 49.62211       4.912976  41.21162       4.727525  42.41556       34.86451 
1 1 1 18  5   18 o 66.11683 30.98590 -3.810852      3.127605  -0.1506546     3.269542  -22.26023      54.10706 
1 1 1 18  5   19 o 265.9640 22.48013 15.59985       3.601739  16.58975       3.751088  -7.965027      46.41421 
1 1 1 18  5   20 o 212.5413 25.87446 12.33560       3.327626  8.611381       3.354890  41.99294       54.77022 
1 1 1 18  5   21 f 207.2943 25.97870 10.73870       3.221260  9.417995       3.315608  16.08527       54.88065 
1 1 1 18  5   22 o 94.85783 38.64718 -1.020071      4.336127  2.675546       3.117714  -13.95239      62.68422 
1 1 1 18  5   23 f 106.5375 42.95316 4.237175       4.542902  0.5042985      4.213931  26.63680       69.68098 
1 1 1 18  5   24 o 255.4743 33.27029 21.36544       5.420564  12.45507       4.911779  76.47124       71.72127 
1 1 1 18  5   25 o 241.0336 25.92162 12.35772       3.322817  17.53208       4.619878  -32.48209      57.15052 
1 1 1 18  5   26 o 86.61613 37.97875 -0.6608476     4.040138  1.805385       3.787258  -11.66943      61.57731 
1 1 1 18  5   27 f 167.7621 39.32236 6.357673       4.254592  9.460115       3.821105  -35.27696      70.94260 
1 1 1 18  5   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  6   0  o 232.2408 30.79849 15.04361       4.447148  10.34230       4.217346  46.24588       64.15918 
1 1 1 18  6   1  o 331.5768 23.14748 25.92960       4.780807  23.66684       4.683038  15.56293       47.34947 
1 1 1 18  6   2  o 389.5085 21.55245 30.01262       5.034679  38.38923       5.354494  -48.78448      43.85423 
1 1 1 18  6   3  o 375.3081 22.02156 32.22964       5.034666  30.70372       5.176993  9.851654       44.77888 
1 1 1 18  6   4  o 254.5931 29.10236 15.11963       4.461868  14.35077       4.567262  7.621338       60.53384 
1 1 1 18  6   5  o 73.52114 34.76481 -3.355018      4.014877  -3.115397      4.382311  -6.225967      60.88376 
1 1 1 18  6   6  o 151.0212 46.20029 10.39279       4.755735  0.3462619      4.706992  88.21458       72.95677 
1 1 1 18  6   7  o 394.2737 21.09806 40.61215       5.198219  28.74025       5.086194  69.46167       43.23569 
1 1 1 18  6   8  o 131.3204 43.14087 5.571249       4.067419  2.092366       4.057590  32.34321       71.31541 
1 1 1 18  6   9  o 364.0361 21.48529 25.95052       4.744312  33.26582       4.920961  -46.09912      43.71019 
1 1 1 18  6   10 o 310.4794 23.86956 22.18656       4.529324  20.88331       4.595270  9.980042       48.74041 
1 1 1 18  6   11 o 244.0898 28.28516 17.30836       4.238317  9.778470       4.169692  72.63666       59.88832 
1 1 1 18  6   12 o 350.7648 21.01952 27.14388       4.540336  27.60066       4.564939  -2.958221      42.57156 
1 1 1 18  6   13 o 75.93034 35.38762 -6.399930      4.070419  1.404270       4.078676  -40.01039      61.89685 
1 1 1 18  6   14 o 230.6208 30.34138 12.23423       4.263740  12.08156       4.207646  1.331757       62.71070 
1 1 1 18  6   15 o 229.7493 27.28808 14.86157       3.984043  9.589049       3.662551  52.64731       56.80989 
1 1 1 18  6   16 o 157.9431 37.19115 5.036192       3.552674  6.912519       3.614419  -21.56526      67.24129 
1 1 1 18  6   17 o 257.6314 23.47234 14.36137       3.679225  15.66523       3.741686  -11.67268      48.44394 
1 1 1 18  6   18 o 274.7085 21.74424 17.95169       3.697126  16.12350       3.653613  15.43472       44.67763 
1 1 1 18  6   19 f 430.7950 17.18275 41.89497       4.545577  40.99741       4.620447  5.075592       34.78048 
1 1 1 18  6   20 o 118.1303 39.06593 3.824445       3.278462  2.796119       3.382667  9.643173       64.85162 
1 1 1 18  6   21 o 196.6937 28.50486 10.45820       3.347626  7.891734       3.406600  30.81903       59.18818 
1 1 1 18  6   22 o 121.3091 43.78783 0.5252241      3.926408  7.972641       4.593390  -62.25708      70.74116 
1 1 1 18  6   23 o 102.5707 41.83214 -0.6825183E-01 4.099237  4.009137       4.307130  -28.47910      67.93070 
1 1 1 18  6   24 o 70.28854 32.81337 -1.027473      3.142995  -2.451766      4.098352  -4.234451      55.74871 
1 1 1 18  6   25 o 89.29776 39.08472 -0.8327354     4.303140  2.039030       3.962067  -12.94260      63.32793 
1 1 1 18  6   26 o 80.34250 36.23731 3.678576       4.029397  -3.305706      3.645220  40.88673       60.71005 
1 1 1 18  6   27 o 107.1665 35.00489 -0.1215273     2.814779  5.886012       2.556548  -61.18159      53.88552 
1 1 1 18  6   28 o 83.38812 32.96761 0.7323557      2.626165  2.245233       2.432433  -11.82054      52.97961 
1 1 1 18  7   0  o 334.8885 24.08146 26.16613       5.078118  24.82823       4.867075  8.331818       49.49338 
1 1 1 18  7   1  o 155.5912 42.30352 7.414018       4.267433  4.573459       4.115785  28.86191       73.22572 
1 1 1 18  7   2  f 179.7110 39.01171 7.861792       4.381586  7.677743       4.082192  1.713791       72.80151 
1 1 1 18  7   3  o 331.2715 23.75602 27.41471       4.881702  21.98173       4.817579  38.13708       48.84194 
1 1 1 18  7   4  o 324.8177 34.50841 0.000000       0.000000  24.24508       4.841459  ?              ?        
1 1 1 18  7   5  o 734.4577 18.28848 118.8049       8.237620  120.0937       8.430157  -3.679504      36.84108 
1 1 1 18  7   6  o 89.99028 39.74146 -3.289724      4.183002  2.299639       4.539034  -37.72180      67.55218 
1 1 1 18  7   7  o 360.0083 35.49862 0.000000       0.000000  29.56484       5.532780  ?              ?        
1 1 1 18  7   8  o 623.9134 18.18604 78.99019       6.750731  94.57150       7.349269  -56.18823      36.57449 
1 1 1 18  7   9  f 360.8927 22.09031 28.28530       4.895297  29.72837       4.948429  -9.140411      44.77824 
1 1 1 18  7   10 o 147.2162 42.00194 6.334534       3.990617  3.793041       4.057727  25.41919       71.71078 
1 1 1 18  7   11 o 655.7930 17.67739 97.28587       7.216469  92.95880       7.153220  15.03119       35.54034 
1 1 1 18  7   12 o 112.7405 42.37167 8.038090       4.028033  -3.472043      4.011642  93.62502       64.41913 
1 1 1 18  7   13 o 587.9698 18.31174 75.91970       6.559521  77.26324       6.787720  -4.844299      36.86621 
1 1 1 18  7   14 o 67.15185 32.19561 -3.697693      3.802755  -3.709182      3.906110  -1.473312      56.85006 
1 1 1 18  7   15 o 422.3361 18.59600 39.67192       4.895509  39.58966       4.825072  0.2864380      37.54312 
1 1 1 18  7   16 o 410.6542 18.58567 39.01176       4.779922  36.11036       4.666503  16.00021       37.56042 
1 1 1 18  7   17 o 194.9963 30.09783 8.124337       3.538234  9.522757       3.509127  -16.45624      61.12899 
1 1 1 18  7   18 o 84.56945 35.93662 1.314404       3.357221  -0.6613960     3.225421  16.19874       59.87029 
1 1 1 18  7   19 o 195.2486 28.46050 7.660916       3.303465  10.20906       3.389591  -29.67287      58.48048 
1 1 1 18  7   20 o 267.7043 21.65418 12.60033       3.398535  20.83783       3.759251  -70.22383      45.50117 
1 1 1 18  7   21 f 370.1793 17.77600 29.94243       4.023114  31.87409       4.118506  -11.63208      36.18302 
1 1 1 18  7   22 o 87.48780 38.80034 -0.1252713     4.018840  -0.4094518E-01 4.383898  -3.940926      64.23026 
1 1 1 18  7   23 o 154.7380 42.95387 6.707018       4.284167  6.284088       4.253368  3.979141       74.29849 
1 1 1 18  7   24 o 99.83118 36.78532 0.5985665      2.856689  4.501431       3.169993  -38.16809      59.67558 
1 1 1 18  7   25 o 245.7170 29.57746 14.72488       4.530725  15.38036       4.312811  -10.08246      64.90448 
1 1 1 18  7   26 o 248.9285 29.30143 16.63373       4.509145  14.56943       4.370174  18.23096       64.53648 
1 1 1 18  7   27 o 86.07785 33.63614 2.963897       2.863034  0.7816259      2.399344  22.50930       54.84349 
1 1 1 18  7   28 o 66.80952 29.87788 -2.381128      2.683662  1.816593       2.413934  -24.62234      49.02602 
1 1 1 18  8   0  o 271.0005 27.27676 15.58860       4.408376  18.42977       4.647298  -23.52025      57.14448 
1 1 1 18  8   1  f 254.7676 28.44112 15.69017       4.479342  14.28798       4.359474  12.43446       59.59610 
1 1 1 18  8   2  o 176.4765 39.82342 5.783965       4.290061  9.268074       4.222047  -36.63496      72.50974 
1 1 1 18  8   3  o 462.0222 19.90931 47.05274       5.668812  48.16964       5.716801  -5.446808      40.26576 
1 1 1 18  8   4  o 412.0406 20.85020 38.13283       5.289546  37.62352       5.334611  2.982422       42.22982 
1 1 1 18  8   5  o 167.7348 40.50357 7.248711       4.099315  6.170805       4.236753  11.18730       72.90993 
1 1 1 18  8   6  o 389.7178 21.23408 33.22045       5.032368  34.48934       5.199625  -7.118378      42.99778 
1 1 1 18  8   7  o 402.5254 21.53835 37.16959       5.322381  34.94770       5.395228  12.93451       43.63844 
1 1 1 18  8   8  o 451.3333 29.29944 0.000000       0.000000  45.83258       5.769052  ?              ?        
1 1 1 18  8   9  o 56.74114 28.47651 -7.403639      4.368395  -10.40311      4.383449  7.793671       52.78804 
1 1 1 18  8   10 o 342.3190 23.30795 24.48816       4.909317  27.85234       4.930480  -22.80557      47.49829 
1 1 1 18  8   11 o 255.0639 30.37476 15.30038       4.726097  14.28856       4.697294  9.288849       63.02889 
1 1 1 18  8   12 o 105.6829 43.51603 2.927405       4.614150  -0.8765569     4.584913  25.68254       71.98421 
1 1 1 18  8   13 o 632.9510 18.91338 90.12117       7.315382  87.43746       7.524395  10.13049       38.11728 
1 1 1 18  8   14 o 633.0463 17.39395 87.11028       6.705046  90.52863       6.949491  -11.93634      35.00112 
1 1 1 18  8   15 o 274.5214 24.55556 19.44462       4.034909  14.26361       4.248306  45.69704       51.99960 
1 1 1 18  8   16 o 623.4914 16.93713 83.77296       6.427985  88.89333       6.667833  -18.32147      34.10571 
1 1 1 18  8   17 o 318.4166 20.70191 21.86368       4.030499  23.63093       4.104267  -12.65268      42.16694 
1 1 1 18  8   18 o 140.7204 37.87392 5.906513       3.365870  3.696366       3.391364  24.78226       65.65269 
1 1 1 18  8   19 o 204.6602 28.06423 10.09762       3.420904  9.395809       3.519517  8.685165       58.32742 
1 1 1 18  8   20 o 355.4193 18.31503 25.86738       3.928202  31.20521       4.127964  -33.93121      37.29905 
1 1 1 18  8   21 o 331.4078 18.61492 23.22762       3.750685  26.55058       3.875285  -22.68616      38.04158 
1 1 1 18  8   22 o 121.8497 44.42757 6.943099       4.334791  0.4262185      4.385039  49.23425       70.81420 
1 1 1 18  8   23 o 211.8396 37.60929 14.79223       4.896495  8.571918       4.636459  60.13858       74.34061 
1 1 1 18  8   24 o 287.4115 23.72148 23.81447       3.636063  10.95518       5.116770  132.5295       63.20782 
1 1 1 18  8   25 o 178.8713 38.72337 11.27190       4.473167  6.818182       3.924273  41.05347       72.73051 
1 1 1 18  8   26 o 200.1585 29.54829 7.118312       4.428125  11.62904       3.058055  -66.37955      63.28864 
1 1 1 18  8   27 o 67.67288 30.44819 1.933902       2.960317  -1.676258      2.467031  29.04448       51.47495 
1 1 1 18  8   28 o 77.71807 32.38160 -0.7778297     2.750072  2.473761       2.453008  -22.58312      51.89419 
1 1 1 18  9   0  o 397.0215 21.91236 38.97111       5.373964  32.49543       5.377357  38.16257       45.04288 
1 1 1 18  9   1  o 163.0076 41.52031 6.380748       4.166503  6.833283       4.253576  -4.675659      73.78480 
1 1 1 18  9   2  o 343.0130 23.08161 25.27745       4.785071  27.99209       4.986491  -17.61984      47.23145 
1 1 1 18  9   3  o 243.2562 29.67936 10.84063       4.185736  17.04029       4.617844  -57.79315      61.99672 
1 1 1 18  9   4  o 328.5405 23.33683 25.28529       4.704337  23.23780       4.746135  14.72217       47.75478 
1 1 1 18  9   5  o 631.6553 18.69546 93.73841       7.378704  83.68130       7.257523  36.32794       37.71103 
1 1 1 18  9   6  o 389.5689 21.50241 34.67057       5.154325  33.05406       5.198088  9.728851       43.61136 
1 1 1 18  9   7  o 532.1274 18.96588 65.35567       6.260170  60.33688       6.240733  21.65228       38.25376 
1 1 1 18  9   8  o 151.4095 42.52098 4.086824       4.095944  6.875444       4.221034  -28.49780      72.93464 
1 1 1 18  9   9  o 561.4567 19.05750 74.72174       6.764502  65.44243       6.499038  37.45007       38.40140 
1 1 1 18  9   10 o 664.3112 18.98139 101.1019       7.936488  94.70290       7.696905  21.67407       38.20594 
1 1 1 18  9   11 o 505.5508 19.95822 46.40382       5.939998  69.54332       6.606342  -103.4077      40.46677 
1 1 1 18  9   12 o 668.9720 18.47108 98.01813       7.653961  100.3196       7.661531  -7.882813      37.17551 
1 1 1 18  9   13 o 164.7082 40.76083 8.216754       4.098724  4.662942       4.186296  36.94679       71.90674 
1 1 1 18  9   14 o 256.0359 26.57082 14.85392       4.083827  14.84288       4.238073  0.7573700      55.10675 
1 1 1 18  9   15 o 408.7511 22.82042 37.01410       4.800605  38.49189       7.710403  1.462006       52.00230 
1 1 1 18  9   16 o 352.0622 20.40756 24.91167       4.325355  30.83325       4.559355  -38.21832      41.51172 
1 1 1 18  9   17 o 317.2039 21.40598 27.10335       4.264601  18.42856       4.114152  63.34094       44.41237 
1 1 1 18  9   18 o 350.9572 19.51442 26.69359       4.154454  28.61727       4.313378  -12.11334      39.66046 
1 1 1 18  9   19 o 250.8313 24.46111 13.30926       3.686404  15.60507       3.833394  -20.88779      51.03083 
1 1 1 18  9   20 o 184.2586 31.30186 5.849726       3.411734  10.50690       3.489414  -54.56334      61.69479 
1 1 1 18  9   21 o 100.5272 38.43210 3.463579       3.416460  0.6956827      3.270258  24.80262       62.68449 
1 1 1 18  9   22 o 177.6225 32.49366 5.943372       3.533063  9.567913       3.369456  -44.01776      63.39351 
1 1 1 18  9   23 o 109.5950 43.06516 6.368157       4.412408  -0.7164904     4.164660  51.04428       69.13656 
1 1 1 18  9   24 o 191.5625 39.21085 11.32236       4.713400  8.564459       4.317371  24.44978       75.53625 
1 1 1 18  9   25 o 63.90717 31.25165 -3.783992      4.362519  -4.498950      3.914700  7.033234       54.21872 
1 1 1 18  9   26 o 128.2395 42.64586 4.586112       3.898771  5.319775       4.036912  -5.958633      69.60076 
1 1 1 18  9   27 o 112.2703 41.55337 0.000000       0.000000  3.732927       2.713142  ?              ?        
1 1 1 18  9   28 o 115.4854 33.86933 2.616615       2.643599  4.827400       2.527150  -25.91907      56.71570 
1 1 1 18  9   29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  10  0  o 120.4762 48.64592 0.6201503      5.506998  4.866882       5.726020  -26.18188      79.01419 
1 1 1 18  10  1  o 74.55029 34.80943 -2.481545      4.037964  -1.953087      3.909684  -0.8946228     59.73290 
1 1 1 18  10  2  f 208.0998 33.89275 12.38999       4.286870  8.299837       4.165227  43.21146       68.07056 
1 1 1 18  10  3  o 99.38374 40.67743 -2.592077      3.987496  4.885298       3.988859  -53.69393      65.98560 
1 1 1 18  10  4  o 223.8564 32.13811 10.42929       4.238513  13.03260       4.438362  -25.98503      66.16054 
1 1 1 18  10  5  o 256.7963 28.50471 12.17418       4.253274  18.63167       4.710184  -57.21941      59.63379 
1 1 1 18  10  6  o 193.5622 36.26918 8.000277       4.061392  9.798465       4.342476  -18.92990      70.41718 
1 1 1 18  10  7  o 116.1649 42.65596 -0.2765362     3.861780  6.129605       4.221786  -57.27156      69.06493 
1 1 1 18  10  8  o 693.4458 18.37449 104.5984       7.716257  108.9138       8.091034  -13.53308      37.00754 
1 1 1 18  10  9  o 122.8494 42.77948 5.193248       3.955062  1.152122       4.041224  35.03624       69.89471 
1 1 1 18  10  10 o 172.4218 39.43411 7.216711       4.059913  6.918090       4.195141  3.111221       72.23993 
1 1 1 18  10  11 o 171.0123 38.63780 10.90018       4.118747  3.409654       3.894357  79.86403       67.36075 
1 1 1 18  10  12 o 137.8549 42.47045 5.910456       4.036192  3.025628       3.944062  28.64787       71.22749 
1 1 1 18  10  13 o 198.7980 34.11819 9.103843       4.068126  9.333318       4.043870  -2.604004      67.74379 
1 1 1 18  10  14 f 276.0479 37.92759 17.82233       4.471139  0.000000       0.000000  ?              ?        
1 1 1 18  10  15 o 172.5370 46.92488 7.316325       3.644431  0.000000       0.000000  ?              ?        
1 1 1 18  10  16 o 151.0852 39.47838 6.963002       3.719266  4.052717       3.761514  31.32040       68.76826 
1 1 1 18  10  17 f 114.0862 40.11573 0.9269624      3.454346  4.874538       3.590392  -37.89583      65.46516 
1 1 1 18  10  18 o 282.5406 22.67574 17.52975       3.827106  18.74486       4.065569  -8.905151      46.70059 
1 1 1 18  10  19 o 221.8587 28.35796 11.51648       3.684808  11.46663       3.956959  2.481491       59.58088 
1 1 1 18  10  20 o 236.2743 25.05573 10.31463       3.486241  15.95803       3.762334  -54.99284      53.12041 
1 1 1 18  10  21 o 96.61740 37.57491 0.5635060      3.139257  3.114203       3.335788  -23.31971      61.39920 
1 1 1 18  10  22 o 163.4994 33.92585 4.289228       3.211608  9.622717       3.458004  -61.61437      62.39267 
1 1 1 18  10  23 o 98.27052 42.31574 -0.5512459     4.947197  2.321905       4.438021  -11.70824      68.68590 
1 1 1 18  10  24 f 191.6781 39.00982 7.876958       4.657654  11.56823       4.321952  -40.51439      74.27502 
1 1 1 18  10  25 o 89.12742 37.13840 0.2172072      3.015267  3.338309       4.001858  -28.28766      61.52567 
1 1 1 18  10  26 o 116.1182 41.76587 1.359166       4.006254  6.148211       3.685801  -36.51768      65.98902 
1 1 1 18  10  27 o 73.79144 31.72230 -0.6851519E-01 2.808913  1.088801       2.460157  -4.902542      51.58142 
1 1 1 18  10  28 o 115.3364 42.56553 4.267175       2.843341  0.000000       0.000000  ?              ?        
1 1 1 18  10  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  11  0  o 292.9392 31.32369 21.59301       6.995141  19.79848       4.808305  -5.768097      71.61337 
1 1 1 18  11  1  o 92.85609 42.91483 -6.452064      6.046745  1.733986       5.587570  -28.47709      72.27544 
1 1 1 18  11  2  o 169.3341 40.02491 6.681113       4.138402  7.585334       4.136375  -9.562973      72.78375 
1 1 1 18  11  3  o 178.7601 38.69971 9.695742       4.265987  6.090295       4.074118  38.22380       71.58126 
1 1 1 18  11  4  o 90.46627 38.64138 -0.1230432     3.921082  0.6668815      3.759496  -3.328316      64.25259 
1 1 1 18  11  5  o 268.6894 26.82331 17.07637       4.435500  15.89207       4.387009  10.24258       55.82421 
1 1 1 18  11  6  o 288.4074 25.04831 18.68896       4.379045  18.97350       4.497056  -1.806976      51.64668 
1 1 1 18  11  7  o 111.7550 41.81868 -0.5618088E-01 3.805905  5.031614       4.015724  -44.38728      68.05858 
1 1 1 18  11  8  o 258.4360 27.56675 17.05936       4.411381  13.43446       4.293354  32.80133       57.55784 
1 1 1 18  11  9  o 133.6462 42.15745 5.121698       4.018425  3.286914       3.802433  19.10921       70.77058 
1 1 1 18  11  10 o 255.9235 28.04334 13.34596       4.307469  16.57635       4.454624  -29.32417      58.45120 
1 1 1 18  11  11 o 156.4643 41.61893 6.412180       4.119034  5.361048       4.099943  10.89691       72.86987 
1 1 1 18  11  12 o 192.8686 36.76546 5.217819       4.163441  12.62432       4.316961  -77.80785      68.47285 
1 1 1 18  11  13 o 300.4725 24.37730 20.32526       4.597208  20.37222       4.417515  -1.068085      50.07811 
1 1 1 18  11  14 o 157.1971 46.85998 5.362202       6.890241  6.224417       4.022015  4.482254       82.47819 
1 1 1 18  11  15 o 107.7815 43.63507 2.151084       3.893003  0.1588332      5.635672  -4.039330      72.76589 
1 1 1 18  11  16 o 333.7455 21.71529 26.18208       4.525425  23.96914       4.419049  15.04068       44.30746 
1 1 1 18  11  17 f 316.1452 30.82555 0.000000       0.000000  23.16370       4.220400  ?              ?        
1 1 1 18  11  18 o 298.5848 21.95709 23.92821       4.085317  16.64008       3.993088  57.04047       45.92240 
1 1 1 18  11  19 o 363.6133 19.26427 32.41027       4.392936  27.32528       4.269085  31.93945       39.32093 
1 1 1 18  11  20 o 340.2482 19.52903 28.00441       4.172405  24.53060       4.039886  23.09717       39.94862 
1 1 1 18  11  21 o 81.77044 35.27060 2.086465       3.280328  -1.471194      3.233099  25.09467       58.35208 
1 1 1 18  11  22 o 102.7840 37.91459 1.169950       3.213017  3.692050       3.166893  -22.18397      61.47294 
1 1 1 18  11  23 o 147.6152 35.40250 5.188291       3.235390  6.096763       3.165620  -11.00410      64.16103 
1 1 1 18  11  24 o 88.58244 39.34974 -1.112192      4.348572  1.671316       4.304756  -13.85683      64.28539 
1 1 1 18  11  25 o 99.47980 41.90374 5.818963       4.805686  -0.8343308     4.095063  41.85434       68.14143 
1 1 1 18  11  26 o 128.5410 44.91593 6.108217       4.689237  4.548940       4.173347  10.65789       72.23141 
1 1 1 18  11  27 o 179.2047 40.63491 11.06018       4.806982  8.478024       4.101882  15.70749       76.01783 
1 1 1 18  11  28 o 76.82799 32.92371 2.008463       2.981971  -0.2722106E-01 2.652309  16.71642       53.47539 
1 1 1 18  11  29 o 100.9196 36.64829 2.557307       3.745045  3.302951       2.527025  -4.762955      58.86097 
1 1 1 18  12  0  o 92.59557 42.87977 -2.483465      5.781677  -1.528980      5.893696  -4.694809      72.01871 
1 1 1 18  12  1  o 117.5537 43.96818 1.955199       4.257683  4.200685       4.379897  -17.85520      71.67583 
1 1 1 18  12  2  o 149.3739 51.16557 5.493585       5.590594  6.160481       5.835792  -5.418243      83.99851 
1 1 1 18  12  3  o 396.1381 22.83790 33.13473       5.478854  38.32488       5.704429  -29.45975      46.78798 
1 1 1 18  12  4  o 368.1769 22.31926 27.39009       4.941537  34.26930       5.216643  -42.30701      45.72000 
1 1 1 18  12  5  o 103.1919 40.88634 1.573079       3.897018  1.741289       3.882216  -1.130562      67.21657 
1 1 1 18  12  6  o 347.6902 22.43988 25.72597       4.687059  28.92263       4.951794  -20.35269      45.81486 
1 1 1 18  12  7  o 368.6004 22.16489 33.93108       5.135580  27.35834       4.958290  40.83142       45.29668 
1 1 1 18  12  8  o 371.2077 21.94465 28.27542       4.971019  33.67595       5.092377  -33.39737      44.75541 
1 1 1 18  12  9  o 218.2819 32.38123 13.50472       4.307566  8.777328       4.198246  49.09839       66.04527 
1 1 1 18  12  10 o 280.4473 25.17646 19.63857       4.415290  16.09089       4.255751  29.17535       52.10711 
1 1 1 18  12  11 o 121.7870 42.27062 4.114171       3.963436  2.413356       3.842024  16.21922       69.87108 
1 1 1 18  12  12 o 226.4151 30.29930 9.052318       4.100826  14.73574       4.198518  -58.16943      62.93700 
1 1 1 18  12  13 o 210.8091 31.70698 9.942857       4.067483  10.71309       3.970304  -8.835449      64.82664 
1 1 1 18  12  14 o 307.2764 32.83212 0.000000       0.000000  21.86819       4.356674  ?              ?        
1 1 1 18  12  15 o 256.1352 31.15257 13.74673       4.220277  18.06147       5.877483  -29.46486      66.73283 
1 1 1 18  12  16 o 302.7471 22.87017 23.15309       4.401401  18.60298       4.137363  33.99417       47.04018 
1 1 1 18  12  17 o 105.5658 40.17191 3.963033       3.773616  0.4950999      3.518750  31.28868       65.76158 
1 1 1 18  12  18 o 187.8380 33.68380 12.34860       3.883216  5.021568       3.685791  80.58792       63.94665 
1 1 1 18  12  19 f 129.4724 40.96700 5.211501       3.702909  3.146122       3.669084  20.25773       68.34396 
1 1 1 18  12  20 o 83.50475 36.00568 1.309591       3.409573  -0.7702006     3.373174  14.48736       59.64967 
1 1 1 18  12  21 o 140.5923 38.03008 2.824518       3.272037  7.864552       3.535587  -54.71150      64.44549 
1 1 1 18  12  22 o 100.9811 38.46676 1.016348       3.268088  3.632580       3.415264  -22.84249      62.42235 
1 1 1 18  12  23 o 353.9393 19.17226 28.32427       4.161758  29.25722       4.226325  -5.661957      39.48923 
1 1 1 18  12  24 o 120.9036 39.33963 5.348394       3.435031  2.790091       3.331161  24.58612       64.70913 
1 1 1 18  12  25 o 107.7158 42.75771 2.793936       4.274089  3.314365       4.248458  -3.240547      67.99512 
1 1 1 18  12  26 o 127.9414 42.08727 2.260492       3.375639  10.36432       4.659570  -64.77224      69.78413 
1 1 1 18  12  27 f 161.6215 48.14256 9.481740       5.475030  8.691189       4.939139  1.392731       79.78721 
1 1 1 18  12  28 o 91.45154 35.74705 3.296184       3.255954  1.502646       2.698209  16.18816       57.51764 
1 1 1 18  12  29 o 85.50293 40.95085 0.000000       0.000000  -0.5359847     4.382670  ?              ?        
1 1 1 18  13  0  o 92.75111 40.45700 -0.1885571     4.447080  0.8055620      4.322946  -4.418930      66.64214 
1 1 1 18  13  1  o 323.1158 37.17497 23.71497       6.994020  27.97765       7.685970  -24.72266      80.87572 
1 1 1 18  13  2  o 120.6824 44.77687 5.672174       4.456125  0.9211961      4.464551  35.69751       72.37689 
1 1 1 18  13  3  o 121.8355 50.54301 2.284413       6.264478  2.535765       6.271673  -1.340164      82.00327 
1 1 1 18  13  4  o 152.9574 53.10335 10.41730       6.062215  1.234410       6.257025  61.31693       84.80177 
1 1 1 18  13  5  o 226.6944 32.58022 9.273690       4.314241  15.42681       4.599632  -60.85770      67.10322 
1 1 1 18  13  6  o 221.6500 32.29368 10.99510       4.122024  12.26635       4.525703  -10.83517      66.82047 
1 1 1 18  13  7  o 175.8677 39.05946 7.506229       4.076203  7.590938       4.228529  -0.6983337     72.44166 
1 1 1 18  13  8  f 173.8684 38.96207 1.784408       3.913093  14.10598       4.311636  -124.0285      63.92530 
1 1 1 18  13  9  o 193.6901 36.33474 10.29526       4.204500  7.617523       4.206094  29.02330       70.42951 
1 1 1 18  13  10 o 284.2731 25.59867 16.93011       4.402200  19.89952       4.532197  -24.09866      53.08083 
1 1 1 18  13  11 o 136.7807 42.68513 4.479513       4.014228  4.454966       4.015939  0.2264862      71.86791 
1 1 1 18  13  12 o 151.3721 41.89423 6.095803       4.089936  5.105525       4.045159  10.17348       72.58087 
1 1 1 18  13  13 o 263.8118 26.68372 14.37388       4.256927  17.51428       4.358387  -27.82060      55.77335 
1 1 1 18  13  14 o 259.7943 39.71864 0.000000       0.000000  16.20685       4.382577  ?              ?        
1 1 1 18  13  15 f 184.2817 35.81881 7.136890       3.783521  9.397799       4.133794  -24.16519      69.00443 
1 1 1 18  13  16 o 79.18867 35.57140 -0.2128797     3.675566  -1.462897      3.608068  8.262169       60.07901 
1 1 1 18  13  17 o 130.7899 41.32659 2.468358       3.719066  5.979699       3.785916  -34.34268      68.48615 
1 1 1 18  13  18 o 187.9216 34.56424 11.40958       3.948776  5.966876       3.816181  59.88995       66.41980 
1 1 1 18  13  19 o 288.8856 24.03097 17.70004       4.145563  20.99382       4.400717  -25.23068      50.07747 
1 1 1 18  13  20 o 362.5826 20.92479 30.89969       4.689273  29.26539       4.683453  10.55008       43.04856 
1 1 1 18  13  21 o 149.1725 39.52936 5.831699       3.643625  6.047093       3.792940  -1.905365      69.45155 
1 1 1 18  13  22 o 225.2549 29.41996 11.70034       3.984970  13.13831       4.041042  -14.70833      63.02739 
1 1 1 18  13  23 o 250.7498 26.22667 9.810689       3.964989  20.78492       4.075636  -105.5882      58.87653 
1 1 1 18  13  24 o 100.7596 38.98215 5.025113       3.692529  0.4363429      3.276563  37.98961       62.96178 
1 1 1 18  13  25 o 72.69823 33.59587 0.6243595      3.795766  -1.923235      3.356089  16.51130       56.13759 
1 1 1 18  13  26 o 155.5738 47.95020 5.012591       4.716982  12.62800       5.553980  -50.79037      78.83487 
1 1 1 18  13  27 o 71.99059 33.77169 -3.071532      3.260350  3.595892       4.793818  -38.94019      59.11827 
1 1 1 18  13  28 o 113.8985 45.70214 7.003395       4.844232  2.248729       5.001632  24.75613       70.11266 
1 1 1 18  13  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  14  0  o 145.0742 46.66608 5.546288       4.682157  6.057257       4.857001  -4.288803      77.39933 
1 1 1 18  14  1  o 140.2115 45.12893 4.637242       4.483587  5.796407       4.432526  -9.792725      74.92770 
1 1 1 18  14  2  o 400.6583 32.96059 42.67635       7.915696  33.94368       8.339983  57.97864       72.18626 
1 1 1 18  14  3  o 160.8875 53.48705 6.993923       5.810298  7.191968       6.778891  -2.579163      88.26926 
1 1 1 18  14  4  o 144.6724 54.94455 2.666192       6.727031  7.950970       6.875629  -30.48965      88.36699 
1 1 1 18  14  5  o 416.0235 34.01221 38.68076       8.472956  44.08274       8.948327  -27.28214      72.29483 
1 1 1 18  14  6  o 229.4755 34.49493 15.58568       4.737024  9.580874       4.780291  60.10947       70.82850 
1 1 1 18  14  7  o 134.6000 44.67860 5.536721       4.202953  3.049950       4.521722  19.83148       73.72882 
1 1 1 18  14  8  o 73.36436 34.77209 -5.179824      4.097123  -0.7243423     4.388302  -23.38690      60.93890 
1 1 1 18  14  9  o 194.7477 37.98759 7.681180       4.307310  10.91062       4.551298  -33.16008      72.93539 
1 1 1 18  14  10 o 150.8592 43.76097 2.689482       4.248583  8.860190       4.424145  -58.81367      72.68626 
1 1 1 18  14  11 o 196.9284 38.02084 11.92862       4.503261  6.911448       4.449972  51.97545       72.36919 
1 1 1 18  14  12 o 102.0556 41.87202 -2.357410      4.273415  4.739052       4.204941  -47.93445      68.05038 
1 1 1 18  14  13 o 111.4496 43.11633 2.521291       4.253423  2.014009       4.226668  4.022408       70.68319 
1 1 1 18  14  14 o 156.4747 46.54287 1.669461       5.626894  8.859706       4.326053  -54.69815      75.73046 
1 1 1 18  14  15 o 140.3945 43.24252 2.331660       4.156422  7.409163       4.115859  -47.11740      71.20360 
1 1 1 18  14  16 o 123.2458 43.57076 6.856185       4.222695  0.3843922      4.094570  54.80681       69.96841 
1 1 1 18  14  17 o 151.4232 42.44965 2.494210       4.173818  9.143625       4.120705  -63.95870      70.16750 
1 1 1 18  14  18 o 141.0634 42.57133 4.178719       4.054359  6.035372       4.017319  -17.61179      71.78836 
1 1 1 18  14  19 o 272.2352 26.33739 18.42149       4.493318  16.42796       4.297605  15.88972       55.69929 
1 1 1 18  14  20 o 189.1911 36.70472 10.73801       4.141086  7.576260       4.163393  34.28317       71.09556 
1 1 1 18  14  21 f 124.7999 42.75990 5.359297       3.992199  3.035410       3.982877  19.59975       69.74812 
1 1 1 18  14  22 o 96.36222 39.96883 2.065518       3.808997  0.9734479      4.038685  5.401802       64.71832 
1 1 1 18  14  23 f 84.36544 36.95347 4.431754       3.761024  -3.235328      3.624501  47.60001       60.78302 
1 1 1 18  14  24 o 100.1481 39.59705 1.928309       3.651788  2.919154       3.630445  -6.987793      63.44293 
1 1 1 18  14  25 o 72.69191 33.33447 -0.3222823     3.440425  -0.6439031     3.374242  2.233612       54.86195 
1 1 1 18  14  26 o 154.7331 37.09685 6.449006       3.521275  7.359793       3.507766  -10.02553      67.44020 
1 1 1 18  14  27 o 93.46716 40.35080 2.782078       4.470844  1.600160       4.092830  7.015518       63.33771 
1 1 1 18  14  28 o 67.38361 32.96897 -3.314265      3.668605  -2.746752      7.059366  -20.41324      57.22840 
1 1 1 18  14  29 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  15  0  o 101.0070 42.38905 1.635126       4.440310  1.399047       4.529839  0.7619858      68.79980 
1 1 1 18  15  1  o 152.2835 46.06692 5.992813       4.678312  6.881695       4.766294  -7.545883      77.58057 
1 1 1 18  15  2  o 320.8913 26.59317 23.81852       5.226672  24.63640       5.265588  -5.776703      56.07746 
1 1 1 18  15  3  o 176.8764 53.40528 8.553436       6.205517  9.260104       6.505218  -4.762619      89.89488 
1 1 1 18  15  4  o 111.6567 47.31692 -0.2560085     5.268603  4.016096       6.195394  -28.60345      77.93140 
1 1 1 18  15  5  f 124.8745 46.49670 1.437809       4.689112  6.132209       4.957233  -34.98125      75.37674 
1 1 1 18  15  6  o 118.7905 51.13874 0.3272941      6.697165  2.897753       6.949707  -13.04939      83.23277 
1 1 1 18  15  7  o 148.3231 45.40036 6.290711       4.441904  4.947862       4.705344  11.31885       76.39585 
1 1 1 18  15  8  o 168.9033 43.03338 3.988676       4.384559  10.96644       4.670835  -67.40196      73.83018 
1 1 1 18  15  9  o 120.6883 43.48645 2.298966       4.106330  4.294792       4.217375  -17.09344      71.27911 
1 1 1 18  15  10 o 232.4284 32.23178 13.20964       4.474195  12.35810       4.571944  9.344376       67.38552 
1 1 1 18  15  11 o 225.7645 33.09615 13.22281       4.409889  10.93275       4.590360  24.79430       68.69157 
1 1 1 18  15  12 o 98.11624 41.34496 -0.8114744     4.495669  2.192210       4.116871  -15.14330      67.96809 
1 1 1 18  15  13 o 244.8814 32.80965 15.53986       4.868289  12.94842       4.849083  24.98532       69.01340 
1 1 1 18  15  14 o 91.45695 40.30740 -1.687499      4.449538  1.238477       4.457476  -16.32741      67.15873 
1 1 1 18  15  15 o 191.2651 40.40810 12.73121       4.658125  5.673518       4.629623  70.07718       73.60690 
1 1 1 18  15  16 o 226.5697 34.56136 8.647472       4.536585  16.86694       4.891259  -79.26128      70.15751 
1 1 1 18  15  17 o 132.2347 44.02064 3.074808       4.103721  5.956094       4.359090  -25.85241      72.64681 
1 1 1 18  15  18 o 77.57061 35.91763 -5.390122      3.946055  2.726660       4.258888  -44.24211      62.09040 
1 1 1 18  15  19 o 139.1322 43.98323 5.028111       4.169519  5.486366       4.334243  -4.188690      73.35156 
1 1 1 18  15  20 o 222.0166 33.28305 11.93991       4.338114  12.88739       4.555227  -7.254959      70.28374 
1 1 1 18  15  21 o 174.8087 38.95985 9.600029       4.037937  6.608864       4.200253  32.38185       71.92197 
1 1 1 18  15  22 o 85.80302 37.41888 -0.3413891     3.656796  1.466316       3.847324  -12.33547      61.28352 
1 1 1 18  15  23 o 98.58879 39.12539 3.067456       3.549847  1.396035       3.584734  11.94363       62.82512 
1 1 1 18  15  24 o 63.91167 30.77171 -5.579600      3.570979  0.5260705      3.642158  -25.06951      53.21621 
1 1 1 18  15  25 o 96.19003 39.63805 2.163799       3.866699  2.411808       3.775208  -1.178230      62.81408 
1 1 1 18  15  26 o 101.1381 41.09171 6.242849       4.115119  -0.2548680     3.956974  40.61922       64.81683 
1 1 1 18  15  27 o 102.1426 40.74357 3.138001       3.851990  3.567977       3.924213  -2.709457      63.51666 
1 1 1 18  15  28 o 85.03514 38.24026 0.9562888      4.483080  1.616690       4.000758  -1.066719      59.94606 
1 1 1 18  16  0  f 95.87951 41.76506 0.1366740      4.626025  1.442565       4.691258  -7.340096      68.05620 
1 1 1 18  16  1  o 120.1554 45.38118 0.7059018      4.487124  6.884437       4.773705  -44.54998      72.87187 
1 1 1 18  16  2  o 105.1360 42.97207 -0.5397598     4.410076  4.701016       4.476989  -33.69809      69.39493 
1 1 1 18  16  3  o 154.4497 49.22430 7.115069       4.535628  5.836655       6.706559  8.448654       82.20692 
1 1 1 18  16  4  o 77.22739 37.02903 -4.334676      4.380928  -2.859395      6.348776  -23.94775      65.60509 
1 1 1 18  16  5  o 156.2997 53.83404 8.738845       6.186039  4.640951       6.469100  26.42297       87.26690 
1 1 1 18  16  6  f 271.9756 41.99681 20.07287       6.868893  17.63510       6.846034  20.47005       88.31753 
1 1 1 18  16  7  o 313.7048 41.17042 28.40831       7.997996  21.76431       7.650545  47.26181       89.55683 
1 1 1 18  16  8  o 140.7261 53.47001 2.459266       6.154241  8.003315       6.773857  -34.47525      86.37752 
1 1 1 18  16  9  o 183.3728 40.97858 10.89837       4.660020  6.465130       4.435908  43.89243       75.10768 
1 1 1 18  16  10 o 151.1636 43.78496 5.565780       4.378814  6.218651       4.304849  -6.068298      74.87273 
1 1 1 18  16  11 o 106.8311 46.70029 0.4393748      4.149806  0.000000       0.000000  ?              ?        
1 1 1 18  16  12 o 110.1151 45.58872 1.663376       4.403398  1.791048       6.229546  -14.23611      75.74712 
1 1 1 18  16  13 o 184.1140 48.53852 9.355224       4.738443  8.247623       7.302018  12.18398       86.52367 
1 1 1 18  16  14 o 316.7042 26.79511 25.89090       5.196595  20.74839       5.233127  39.32446       56.77177 
1 1 1 18  16  15 o 122.4025 45.12223 8.108532       4.455774  -1.378189      4.579730  69.94444       70.60229 
1 1 1 18  16  16 o 170.7816 42.70303 11.07957       4.412967  3.899140       4.617200  68.68173       72.85607 
1 1 1 18  16  17 o 160.3508 43.30297 6.683916       4.243260  7.122983       4.592618  -3.514511      75.67339 
1 1 1 18  16  18 o 100.9168 41.63329 1.573310       4.104393  1.853825       4.347687  -3.539230      67.59711 
1 1 1 18  16  19 o 134.7614 43.72132 7.311829       4.102878  2.577959       4.259290  40.23853       70.99798 
1 1 1 18  16  20 o 179.2523 39.06774 10.30701       4.064205  6.565273       4.397773  40.88454       72.22407 
1 1 1 18  16  21 o 95.49525 39.85445 6.054381       3.860506  -3.369436      4.005747  59.94354       63.38756 
1 1 1 18  16  22 o 259.6190 29.14294 17.46116       4.565466  16.14317       4.660913  14.26578       64.25673 
1 1 1 18  16  23 o 81.87052 37.25937 -2.116946      4.055820  1.944188       4.255969  -20.61742      61.23415 
1 1 1 18  16  24 o 72.23682 34.50834 -1.421198      4.392377  -2.708688      4.290674  5.339752       57.39468 
1 1 1 18  16  25 o 80.68806 37.01680 0.7201534      4.233978  -0.7140211     4.180699  6.461540       59.78541 
1 1 1 18  16  26 o 99.32926 40.87830 5.819720       4.148035  0.1754878      3.969751  33.44614       64.24128 
1 1 1 18  16  27 o 101.0672 42.01850 3.710286       4.298760  3.031614       4.393535  3.448395       64.76421 
1 1 1 18  16  28 o 119.7492 43.96804 11.17068       4.684452  1.650595       3.967085  57.97182       68.61574 
1 1 1 18  17  0  o 95.65842 41.21872 -2.146398      4.411296  4.352711       4.466394  -36.78963      67.03559 
1 1 1 18  17  1  o 199.2514 40.43385 8.978320       4.787769  12.41102       4.866417  -33.11517      77.69637 
1 1 1 18  17  2  f 97.27805 41.64027 1.509955       4.496394  0.6919389      4.451725  4.960045       67.75817 
1 1 1 18  17  3  o 119.7033 44.82789 9.442707       4.528379  -1.978213      4.454249  82.53812       69.19994 
1 1 1 18  17  4  o 103.5488 42.74984 3.297256       4.477924  0.3876624      4.431456  18.33669       69.27414 
1 1 1 18  17  5  o 138.7237 45.22107 5.021810       4.377425  5.387251       4.563672  -3.344223      74.87061 
1 1 1 18  17  6  o 144.9233 52.64130 6.211288       6.018084  5.264958       6.211841  5.511871       84.92751 
1 1 1 18  17  7  o 98.33844 44.61948 -4.880334      5.625315  4.266273       6.218263  -43.64317      75.12157 
1 1 1 18  17  8  o 206.0157 44.08042 10.20355       4.809093  12.97545       6.485473  -14.18001      84.88474 
1 1 1 18  17  9  o 144.3048 52.71286 1.831723       5.964163  9.933578       6.335819  -51.63844      84.50713 
1 1 1 18  17  10 o 90.44576 39.64009 -0.6276610E-01 4.225911  0.4299257      4.279867  -3.274994      65.42388 
1 1 1 18  17  11 o 132.3365 44.29960 8.016254       4.384342  1.407741       4.179742  56.50869       71.38298 
1 1 1 18  17  12 o 329.0019 25.35306 24.88495       5.094511  25.63191       5.175116  -4.733429      53.04961 
1 1 1 18  17  13 o 196.1735 38.97656 9.780100       4.582607  9.900044       4.569170  -1.331726      75.57129 
1 1 1 18  17  14 o 102.6810 42.21316 3.171284       4.339297  0.2511374      4.299448  19.10566       68.64260 
1 1 1 18  17  15 o 177.4084 42.32983 8.053921       4.588471  8.733088       4.597963  -6.617737      77.05990 
1 1 1 18  17  16 o 240.7714 32.63985 18.45495       4.789049  10.34144       4.710943  78.67590       69.29240 
1 1 1 18  17  17 o 115.0849 44.09148 1.528552       4.352264  4.965141       4.456762  -24.56681      71.00091 
1 1 1 18  17  18 o 120.3666 44.92920 2.653288       4.434100  4.962406       4.576678  -16.90778      72.41270 
1 1 1 18  17  19 o 87.81980 40.77399 1.418144       4.369005  -9.492789      7.449901  11.96203       67.24120 
1 1 1 18  17  20 o 86.87887 39.49844 -0.3567013     4.400167  -0.5089875     4.951510  -3.662582      65.03431 
1 1 1 18  17  21 o 201.9599 41.22768 13.54142       4.921479  9.181986       5.061570  43.10068       78.75473 
1 1 1 18  17  22 o 193.0641 43.16459 12.20585       4.969159  9.666739       5.112916  24.90266       80.35843 
1 1 1 18  17  23 o 105.2803 43.91974 1.410929       4.688056  4.575787       4.858588  -17.09532      69.17169 
1 1 1 18  17  24 o 105.1467 43.86800 3.039556       4.608446  3.492084       4.928547  -2.865959      68.38687 
1 1 1 18  17  25 o 106.6710 43.45496 3.392814       4.450188  3.731185       4.604260  -2.031265      67.66048 
1 1 1 18  17  26 o 89.35926 40.13880 -0.1218175     4.922280  3.122539       4.394648  -11.36851      62.48642 
1 1 1 18  17  27 o 166.6179 45.54243 7.045422       5.133303  12.59010       4.592942  -48.39369      74.98973 
1 1 1 18  17  28 o 80.51617 36.62559 1.453488       4.215800  0.8482578      3.825139  3.845062       57.31888 
1 1 1 18  18  0  o 94.10081 42.06523 0.8341578      5.024157  -0.7064555E-01 5.026724  4.077293       68.35108 
1 1 1 18  18  1  o 134.0186 47.56319 3.358822       4.929574  7.108896       4.986853  -26.42635      76.44873 
1 1 1 18  18  2  o 122.1760 46.93298 5.535372       5.024542  2.528776       4.972852  19.14283       74.94000 
1 1 1 18  18  3  o 81.53727 38.05500 -1.572187      4.758368  -1.939517      4.719928  1.848549       63.71528 
1 1 1 18  18  4  o 108.9904 44.66246 -1.928890      4.707605  7.212977       4.930202  -56.26554      71.60421 
1 1 1 18  18  5  o 110.4198 44.58957 -0.1453418     4.635827  5.536467       4.801959  -36.15929      71.70232 
1 1 1 18  18  6  o 93.16282 40.80627 -0.3649798E-01 4.563297  0.9487212      4.440170  -4.238327      66.80891 
1 1 1 18  18  7  o 121.0545 44.87692 2.288653       4.425683  5.116712       4.533350  -21.11790      72.56747 
1 1 1 18  18  8  o 73.66536 36.28357 -7.907506      5.812276  -5.995878      5.943933  -6.119118      63.39654 
1 1 1 18  18  9  o 253.7593 44.89748 24.09175       7.006473  10.88984       6.627099  104.9498       87.17783 
1 1 1 18  18  10 o 116.8759 49.69676 1.180950       6.224647  3.181235       6.373081  -10.21674      80.16875 
1 1 1 18  18  11 o 105.9728 47.58811 -6.251192      6.414055  6.910409       6.613680  -55.36156      78.71935 
1 1 1 18  18  12 o 177.9967 42.58293 9.217991       4.544857  7.692359       4.738446  15.76143       77.26444 
1 1 1 18  18  13 o 231.9012 36.48018 11.27313       5.101344  15.95546       5.048386  -46.51477      75.61063 
1 1 1 18  18  14 o 103.6733 43.93125 3.917886       4.864070  -0.8739837     4.921090  26.07051       71.12148 
1 1 1 18  18  15 o 229.3693 39.59286 14.21713       5.291129  13.27180       5.580039  12.35965       81.08092 
1 1 1 18  18  16 o 71.77963 35.16231 -6.026508      4.734615  -4.796213      6.084805  -15.86443      61.85879 
1 1 1 18  18  17 o 81.04106 38.00881 -0.5781354E-01 4.808636  -3.933417      4.840861  15.03306       63.88290 
1 1 1 18  18  18 o 101.3477 43.75680 0.7880068      4.916198  2.018176       5.133615  -7.527580      70.68774 
1 1 1 18  18  19 o 100.5735 47.00338 0.000000       0.000000  -0.9414654     5.140619  ?              ?        
1 1 1 18  18  20 o 219.7931 42.32523 14.86918       5.484141  12.43651       5.641947  24.44615       83.90886 
1 1 1 18  18  21 o 156.4853 48.80434 7.388907       5.095850  8.740659       5.418241  -8.284821      80.30659 
1 1 1 18  18  22 o 96.16364 42.74611 1.487096       5.010579  1.429404       5.224612  -0.6478500     67.76128 
1 1 1 18  18  23 o 88.26879 40.66454 -2.434421      4.912691  3.863393       5.428520  -25.43388      65.67575 
1 1 1 18  18  24 o 85.54279 39.58351 2.309560       4.877752  -2.050570      5.046352  14.97318       63.26539 
1 1 1 18  18  25 o 82.12312 38.57796 -1.209620      5.116666  0.8349120      4.899622  -5.658417      61.35097 
1 1 1 18  18  26 o 71.52634 34.67538 -2.014882      4.656433  -1.994774      4.907995  -1.405624      56.23264 
1 1 1 18  18  27 o 79.13419 37.19945 3.844584       4.742284  -2.963526      4.595833  22.75137       59.15555 
1 1 1 18  19  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 18  19  2  o 181.3529 49.25131 10.16219       5.727368  9.818217       5.638780  2.160202       85.35423 
1 1 1 18  19  3  o 112.8687 46.26110 2.622890       5.279743  3.327501       5.061630  -3.007431      73.68475 
1 1 1 18  19  4  o 92.49319 41.37830 0.5702226      4.952509  -0.1690927     4.796464  4.560707       67.56731 
1 1 1 18  19  5  o 120.0840 47.12572 3.665591       5.097883  3.662446       5.149003  -0.1591721     75.35610 
1 1 1 18  19  6  o 94.34944 41.94932 0.2049831      4.875635  0.6241506      4.982550  -2.720772      68.32444 
1 1 1 18  19  7  o 95.32233 42.01785 0.5154243      4.823711  0.6694007      4.859186  -1.008804      68.40878 
1 1 1 18  19  8  o 117.5639 46.02472 5.485424       4.961829  1.400632       4.795704  26.60931       73.83030 
1 1 1 18  19  9  o 111.3222 46.75820 4.044511       6.119633  1.135546       4.981778  20.56695       75.95136 
1 1 1 18  19  10 o 90.27247 41.95864 -0.8855037E-01 5.716357  -2.997915      5.620551  11.57841       69.71447 
1 1 1 18  19  11 o 101.3953 43.25689 2.064328       4.786286  0.6785694      4.811520  7.381470       70.12106 
1 1 1 18  19  12 o 135.9466 57.37848 8.237122       8.662111  1.712224       7.964280  26.84613       90.69575 
1 1 1 18  19  13 o 126.8204 56.62643 7.179570       9.927725  -0.6922767     8.416521  28.75274       90.65593 
1 1 1 18  19  14 o 98.48580 43.56417 0.9670847      5.242982  0.1931479      5.252579  3.534706       70.89573 
1 1 1 18  19  15 f 94.94539 42.52034 1.930085       5.202758  -1.546804      5.118241  16.31442       69.56359 
1 1 1 18  19  16 o 177.6310 51.73730 7.978906       5.485309  12.45777       6.824524  -26.00357      88.28883 
1 1 1 18  19  17 o 91.35654 41.49321 -1.010568      5.116710  0.6618665      5.118391  -7.087479      67.75858 
1 1 1 18  19  18 o 79.11737 37.58173 -4.265120      5.090887  -0.5627510     4.915594  -11.49159      62.82831 
1 1 1 18  19  19 o 96.70255 43.07792 -1.029281      5.305346  2.926103       5.143331  -16.23521      69.09042 
1 1 1 18  19  20 f 82.68452 38.98779 0.1344238E-01  5.204657  -2.903993      5.190331  10.03995       64.00179 
1 1 1 18  19  21 o 119.8298 47.84385 5.810196       5.220776  3.556988       5.523342  11.57487       74.22847 
1 1 1 18  19  22 o 98.72587 44.09349 1.551081       5.393646  2.685850       5.631557  -4.971680      68.84782 
1 1 1 18  19  23 o 101.1958 44.54218 0.1731115      5.306313  5.511095       5.545896  -21.88239      69.40208 
1 1 1 18  19  24 o 110.3713 46.38747 8.987696       5.393124  -0.1167490     5.372277  40.61567       71.22065 
1 1 1 18  19  25 o 108.9116 45.21908 6.929254       5.081657  2.660330       4.966315  19.20355       68.44022 
1 1 1 18  19  26 o 104.6457 44.80699 2.338375       4.836786  7.371736       5.616036  -19.37235      67.85997 
1 1 1 18  19  27 o 74.63638 35.79475 -0.2909372     4.665218  -0.7009228     4.884405  0.3117142      56.39313 
1 1 1 18  20  3  o 94.62088 42.91231 -1.473142      5.497406  1.807172       5.401589  -12.63293      69.51526 
1 1 1 18  20  4  o 163.9944 50.25858 8.899699       5.633358  8.032861       5.558750  6.051910       83.43304 
1 1 1 18  20  5  o 100.7634 44.47647 1.659419       5.360741  0.7712274      5.526820  3.042397       71.35481 
1 1 1 18  20  6  o 92.90549 42.15302 0.6207696      5.130705  -0.9584109     5.410085  4.711594       68.74238 
1 1 1 18  20  7  o 108.5296 45.98544 4.537709       5.397477  0.7199520E-01  5.322971  22.85413       73.59415 
1 1 1 18  20  8  o 84.61318 39.78723 -0.1963012E-01 5.262300  -3.819777      5.434847  12.20972       66.05396 
1 1 1 18  20  9  o 103.5559 44.69849 -0.1657880     5.177621  3.624989       5.298769  -19.11572      71.84337 
1 1 1 18  20  10 o 82.08105 38.89416 -8.189096      5.181555  3.877777       5.411432  -45.88782      66.93750 
1 1 1 18  20  11 o 83.74736 39.93041 -2.478047      5.746257  -3.334761      5.761156  2.593323       66.71896 
1 1 1 18  20  12 f 82.64777 39.47128 -3.418278      5.587676  -2.581173      5.758073  -3.920975      66.09466 
1 1 1 18  20  13 o 142.0345 55.01656 8.228703       5.448826  -0.5363544     11.03860  26.09698       85.22614 
1 1 1 18  20  14 o 152.8335 66.29758 8.967688       11.24921  10.19075       12.06732  -2.734634      99.23704 
1 1 1 18  20  15 o 83.50565 39.92194 -4.784732      5.997911  -1.189341      5.680932  -8.660439      66.45250 
1 1 1 18  20  16 o 168.5752 60.21406 10.82944       5.627355  0.000000       0.000000  ?              ?        
1 1 1 18  20  17 f 173.9006 50.00467 6.115688       5.703750  13.36509       5.659785  -54.03032      82.70715 
1 1 1 18  20  18 o 92.33826 41.97947 1.182373       5.234826  -0.4038157     5.273015  6.066864       67.49205 
1 1 1 18  20  19 o 88.85050 41.02712 -1.797889      5.232279  1.703870       5.343717  -13.39417      66.21912 
1 1 1 18  20  20 o 91.79173 41.93784 0.1555261      5.308351  1.348431       5.345050  -4.548378      66.60714 
1 1 1 18  20  21 o 101.1411 44.07137 -0.9123234     5.314654  5.940449       5.074775  -28.87074      68.72395 
1 1 1 18  20  22 o 76.85796 36.98265 -7.046306      5.021684  3.665933       5.377013  -34.02381      62.20772 
1 1 1 18  20  23 o 97.19762 43.37799 4.016607       5.387301  0.9782078      5.256673  11.70876       67.11127 
1 1 1 18  20  24 o 102.2113 44.73796 6.353245       5.410873  1.492560       5.391230  18.23206       67.70596 
1 1 1 18  20  25 o 88.20053 40.76357 4.446312       5.223971  -1.059318      5.249094  17.42072       62.98586 
1 1 1 18  20  26 o 67.43459 33.27364 -4.169110      5.103863  -1.836648      4.935165  -4.222046      53.81846 
1 1 1 18  21  4  o 86.03339 40.55794 3.913007       5.633992  -7.191830      5.604001  38.19536       67.94978 
1 1 1 18  21  5  o 108.8236 46.58905 5.411855       5.720295  -0.8907835E-01 5.490677  26.43275       74.08353 
1 1 1 18  21  6  o 96.22637 44.02924 -3.436978      5.499300  4.967149       6.402843  -36.00935      72.60887 
1 1 1 18  21  7  o 104.3616 48.00600 -1.153293      5.508126  10.34896       12.64320  -44.40155      83.88403 
1 1 1 18  21  8  o 108.1415 46.60263 1.961398       5.554734  2.611555       5.803456  -3.949081      74.08775 
1 1 1 18  21  9  o 103.5182 45.67881 3.144480       5.556291  -0.4478890     5.934430  13.38227       72.95765 
1 1 1 18  21  10 o 104.3966 45.80400 4.590072       5.470716  -1.562361      5.942111  24.22667       72.83411 
1 1 1 18  21  11 o 95.52052 43.38071 -1.884783      5.339949  3.123701       5.884047  -22.46570      70.50105 
1 1 1 18  21  12 o 98.14677 44.23314 -2.163008      5.358542  4.674759       6.075370  -30.66309      71.93993 
1 1 1 18  21  13 f 178.8250 55.75863 9.851914       6.497370  13.17539       7.273597  -15.37962      90.99222 
1 1 1 18  21  14 o 112.2341 49.29915 -0.2785147     6.442468  6.375667       6.792971  -26.09646      77.65573 
1 1 1 18  21  15 o 120.6165 58.40528 7.674619       13.11942  -4.356769      13.80985  15.37286       88.72731 
1 1 1 18  21  16 o 103.9188 51.96267 -2.277869      13.21213  -13.41295      14.83274  7.733482       81.62707 
1 1 1 18  21  17 o 95.08789 43.83261 0.6876969      6.120326  0.4121742      5.883020  1.860153       69.63075 
1 1 1 18  21  18 o 86.78696 40.74053 -4.126536      5.509804  3.098650       5.621219  -23.99334      66.16674 
1 1 1 18  21  19 o 106.3842 45.90363 1.104923       5.251734  5.923579       5.833288  -21.35878      71.62942 
1 1 1 18  21  20 o 97.82154 45.88239 -0.1894262E-01 5.389426  7.307795       12.90134  -23.94109      75.24164 
1 1 1 18  21  21 o 89.04895 41.57944 -3.846130      5.324941  5.869900       6.086666  -33.75533      67.45058 
1 1 1 18  21  22 o 69.34364 34.23680 -6.242153      5.323410  -2.036847      5.358114  -9.519852      56.74656 
1 1 1 18  21  23 o 95.07403 42.87687 2.722132       5.331249  2.840495       5.369730  -0.4480591     65.24095 
1 1 1 18  21  24 o 86.20245 40.05661 -1.878917      5.085657  4.840259       5.238758  -21.56725      62.45021 
1 1 1 18  21  25 o 105.1928 45.34150 5.528026       5.259099  4.887052       5.497255  2.769669       66.69464 
1 1 1 18  22  6  o 146.3216 53.49361 5.887278       6.088134  9.749727       6.595917  -19.78392      83.84125 
1 1 1 18  22  7  o 119.4220 49.46618 2.681560       5.734112  6.063193       6.286006  -16.50405      77.45900 
1 1 1 18  22  8  o 82.05912 39.27592 -6.161469      5.381677  1.998680       6.037006  -29.10590      66.31832 
1 1 1 18  22  9  o 124.4001 50.42298 8.210133       5.705553  0.9169460      6.482612  33.50285       77.70184 
1 1 1 18  22  10 o 101.7269 45.63811 0.3206485      5.586064  3.112680       6.453859  -13.64075      72.68381 
1 1 1 18  22  11 o 77.96224 37.76929 -3.570642      5.444783  -3.718694      5.863594  -2.480309      63.12433 
1 1 1 18  22  12 o 137.1701 51.52489 10.18195       5.696491  1.986011       6.223147  45.06667       79.58968 
1 1 1 18  22  13 o 106.4233 46.69274 1.549762       5.567639  3.463650       6.336003  -10.05762      73.70675 
1 1 1 18  22  14 o 95.33798 43.86291 0.5218827      5.976979  0.3262924      5.954277  0.7625046      69.94905 
1 1 1 18  22  15 o 112.5238 53.15930 0.000000       0.000000  2.221517       6.892700  ?              ?        
1 1 1 18  22  16 o 127.4787 56.88594 6.654048       6.468593  0.000000       0.000000  ?              ?        
1 1 1 18  22  17 o 143.6842 66.21235 23.05560       13.91782  5.936322       13.43656  25.26157       93.85756 
1 1 1 18  22  18 o 108.0766 53.53282 0.5806572      13.58970  -0.9707089     13.29849  1.824158       80.75666 
1 1 1 18  22  19 o 126.0051 50.11512 3.451677       5.851274  9.128280       5.878426  -26.49156      76.28981 
1 1 1 18  22  20 o 87.81329 41.17598 4.598335       5.774079  -3.338684      5.546591  24.69783       65.48680 
1 1 1 18  22  21 o 90.93977 42.14898 -1.521724      5.469436  5.285725       5.866853  -21.55610      65.68423 
1 1 1 18  22  22 o 123.3156 49.24480 4.372546       5.484737  10.21663       5.910210  -23.78414      73.45607 
1 1 1 18  22  23 f 108.1428 46.73935 4.594119       5.710465  6.198871       5.772156  -5.551567      68.99348 
1 1 1 18  22  24 o 72.67620 35.58944 -2.329435      5.144907  -1.024044      5.696627  -4.706001      56.42247 
1 1 1 18  23  8  o 103.7972 46.39498 -0.2940640     5.684284  5.380779       6.652339  -23.58177      73.65432 
1 1 1 18  23  9  o 103.7257 46.72908 4.448883       6.130687  -0.7427426     6.562692  16.62996       73.13706 
1 1 1 18  23  10 f 84.98552 40.92521 -3.609775      5.923925  -1.020374      6.973271  -11.76258      67.12992 
1 1 1 18  23  11 o 100.0894 45.96912 5.344555       6.237559  -3.628161      6.828570  26.22762       72.46967 
1 1 1 18  23  12 o 105.6891 47.56884 1.457780       6.064233  4.187566       7.169489  -11.16164      74.11145 
1 1 1 18  23  13 o 111.1162 49.09044 3.726644       6.131966  3.830402       7.309800  -1.669426      75.28767 
1 1 1 18  23  14 o 131.5007 53.61992 8.398956       6.533383  5.818620       7.330681  11.47021       80.43407 
1 1 1 18  23  15 o 100.5007 49.14734 0.000000       0.000000  -0.6098613     7.206814  ?              ?        
1 1 1 18  23  16 o 92.15977 43.83213 -3.341108      6.186187  5.336998       7.773631  -25.20789      70.30195 
1 1 1 18  23  17 o 106.5914 49.28117 3.348081       7.025960  4.251669       8.513910  -3.060753      74.24693 
1 1 1 18  23  18 o 89.77616 43.51146 1.188703       6.970174  -3.097811      8.197385  5.181808       67.64032 
1 1 1 18  23  19 o 99.72147 50.20877 1.303697       13.83141  -1.959135      14.56094  1.934113       74.37773 
1 1 1 18  23  20 f 118.3469 58.03009 11.28583       14.06608  16.14673       14.97727  -3.242889      80.04506 
1 1 1 18  23  21 o 77.50828 37.93769 -5.519627      5.894320  2.076267       6.360010  -17.15016      60.87294 
1 1 1 18  23  22 o 73.05468 36.09367 -5.865438      5.769491  0.6787891      6.196044  -13.70445      58.00021 
1 1 1 18  23  23 o 115.8276 49.08078 2.486296       6.001590  13.06447       6.216735  -34.96809      71.43756 
1 1 1 18  24  11 o 115.9752 50.80201 9.659619       6.605275  -1.254956      7.418213  35.76350       77.09001 
1 1 1 18  24  12 o 93.70776 44.33878 0.7296445      6.512873  -0.3898832     7.200062  0.8128891      69.50389 
1 1 1 18  24  13 o 87.62361 42.62172 -3.294515      6.565002  -0.1585506     8.600428  -12.39352      68.41673 
1 1 1 18  24  14 o 79.05050 39.30196 -5.316690      6.678092  -6.394569      8.757932  -6.341026      64.27778 
1 1 1 18  24  15 o 96.11937 46.53441 -7.165673      8.114071  9.074614       9.014467  -31.03316      73.58156 
1 1 1 18  24  16 o 83.28307 40.91580 -0.9926996     6.862821  -5.496904      7.879451  4.668549       65.07120 
1 1 1 18  24  17 o 85.36852 41.57784 0.5678458      6.603831  -4.178833      7.688812  5.964272       65.27338 
1 1 1 18  24  18 o 90.81984 43.67663 1.842274       6.795202  -0.7749000     7.725891  3.546745       66.93272 
1 1 1 18  24  19 o 88.46038 43.28492 0.2920027      7.343032  -0.5471728     8.712025  -0.7688522     66.10001 
1 1 1 18  24  20 o 82.18332 40.77910 -0.8834049     7.375426  -3.672014      8.633716  1.379730       62.99530 
1 1 1 18  24  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  -15 0  o 100.3416 42.63577 6.204031       4.406520  1.284428       4.890049  21.82174       64.13586 
1 1 1 19  -15 1  o 77.40634 36.57163 1.498662       4.379529  -1.902176      4.893424  8.599716       57.67786 
1 1 1 19  -15 2  o 118.5742 45.93554 6.646908       4.673461  5.066440       4.975758  9.307678       69.36337 
1 1 1 19  -15 3  o 70.96711 34.30050 -3.379915      4.282779  0.3425345      4.964068  -14.38945      56.25610 
1 1 1 19  -15 4  o 82.31966 38.60984 1.303410       4.863745  -0.7951513     5.103306  5.769150       60.75448 
1 1 1 19  -15 5  o 102.0740 43.45776 7.430013       4.785032  -0.3066433     4.868399  35.23575       66.76132 
1 1 1 19  -15 6  o 135.9771 47.64918 4.830689       4.582438  11.03006       5.459804  -32.10179      74.66383 
1 1 1 19  -15 7  o 112.4458 44.32392 5.541193       4.260593  3.494750       4.906967  11.98344       67.89812 
1 1 1 19  -14 0  o 79.45422 37.09932 2.075032       4.250297  -2.135760      4.829234  12.02886       58.64919 
1 1 1 19  -14 1  o 81.07487 37.23241 -0.2206265     4.060217  1.750456       4.518784  -9.674385      59.05052 
1 1 1 19  -14 2  o 86.95155 39.34037 1.000226       4.334288  1.826401       4.794168  -4.787895      61.62735 
1 1 1 19  -14 3  o 93.21835 40.39541 2.147722       4.063139  2.536697       4.610789  -3.165443      62.92788 
1 1 1 19  -14 4  o 83.99870 38.43970 -0.3607039     4.281385  2.031531       4.753538  -11.42101      61.13148 
1 1 1 19  -14 5  o 88.68057 39.75561 2.521044       4.329007  0.3711214E-01  4.746601  8.881798       62.44278 
1 1 1 19  -14 6  o 122.3788 46.13729 9.635557       4.852671  1.632982       4.699461  47.56776       71.30954 
1 1 1 19  -14 7  o 88.37539 39.77898 2.206756       4.470236  -0.3256304E-01 4.697893  8.443184       62.85522 
1 1 1 19  -14 8  o 78.16158 36.78008 0.7271560      4.168330  -3.085402      5.153803  7.210037       59.42841 
1 1 1 19  -14 9  f 87.80869 39.45246 0.7989185      4.138272  1.597663       4.928906  -6.709129      62.66234 
1 1 1 19  -14 10 o 88.14828 39.51229 0.8183807      4.155168  1.655162       4.860932  -6.583244      62.72981 
1 1 1 19  -13 0  o 111.7239 43.93813 3.430906       4.111962  5.749134       4.919393  -12.48837      68.42830 
1 1 1 19  -13 1  o 112.1353 44.32084 3.595998       4.383269  5.059734       4.760309  -8.253151      68.90254 
1 1 1 19  -13 2  o 288.1315 41.65831 25.29935       5.112303  0.000000       0.000000  ?              ?        
1 1 1 19  -13 3  o 85.96728 38.66098 0.3142071      4.111624  1.298362       4.552524  -6.732697      61.89996 
1 1 1 19  -13 4  o 75.73151 35.63568 -1.203348      4.201330  -1.039274      4.410646  -2.113564      58.39101 
1 1 1 19  -13 5  o 150.9109 45.70892 6.625654       4.366908  8.799938       4.987860  -12.83765      75.96590 
1 1 1 19  -13 6  o 77.28039 36.27210 -0.6673858     4.221073  -1.478299      4.622027  0.2582321      59.34147 
1 1 1 19  -13 7  o 100.5552 46.13881 0.000000       0.000000  1.655819       4.624305  ?              ?        
1 1 1 19  -13 8  o 78.50040 36.69641 0.9433326      4.391232  -2.475973      4.481446  12.47697       59.79986 
1 1 1 19  -13 9  o 80.70789 37.32116 2.909469       4.354953  -3.549898      4.442842  25.79703       60.84324 
1 1 1 19  -13 10 o 91.13950 40.13272 -0.3825842     4.023242  4.027860       4.924152  -25.11787      64.88408 
1 1 1 19  -13 11 o 92.80552 42.03654 -2.436573      5.639080  3.744396       4.864469  -20.17850      66.40008 
1 1 1 19  -13 12 o 122.6707 47.29986 4.907470       4.008438  6.927200       8.179030  -4.686867      75.55341 
1 1 1 19  -12 0  o 116.7846 43.99310 6.818313       4.315105  2.284334       4.362975  29.37961       68.71289 
1 1 1 19  -12 1  o 90.90600 39.91155 6.447873       4.243026  -3.854277      4.418470  50.52092       63.64120 
1 1 1 19  -12 2  o 98.44201 41.61049 1.033104       4.065586  4.297478       4.757361  -19.51126      66.13331 
1 1 1 19  -12 3  o 122.2702 44.92644 3.387076       4.226892  6.856000       4.763744  -22.61110      71.30376 
1 1 1 19  -12 4  f 163.3097 44.33879 6.597519       4.337367  10.84014       4.932268  -31.17284      76.63203 
1 1 1 19  -12 5  o 94.28786 40.73317 1.668959       4.090025  1.725726       4.683020  -3.021584      64.85222 
1 1 1 19  -12 6  o 84.29473 38.23165 0.6068050      4.163715  -0.2868554     4.508556  1.769325       61.79247 
1 1 1 19  -12 7  o 93.97084 40.61180 0.8289149      4.091885  2.559085       4.624672  -11.58385      65.02428 
1 1 1 19  -12 8  o 88.60371 39.51400 -0.6519067     4.225219  2.300140       4.613846  -16.38279      63.96282 
1 1 1 19  -12 9  o 77.76503 36.28930 0.9931710      4.124815  -3.561121      4.515672  15.37308       59.81266 
1 1 1 19  -12 10 o 128.7946 46.01980 11.77117       4.550864  -1.646515      4.753530  91.95577       68.66888 
1 1 1 19  -12 11 o 91.70364 42.17698 2.996303       6.726679  -0.9445685     4.778872  21.65944       68.95778 
1 1 1 19  -12 12 o 95.77505 41.56283 4.812949       3.910407  -4.907671      5.767346  33.37436       64.72984 
1 1 1 19  -12 13 o 95.55122 40.29731 0.7164194E-01  3.718740  4.968831       4.584525  -31.74741      65.27353 
1 1 1 19  -12 14 o 70.51437 33.66272 -4.007364      3.922228  0.3950979      4.341098  -19.90530      56.87386 
1 1 1 19  -11 0  o 87.04803 38.57992 -1.008910      3.964792  3.220005       4.329876  -23.20337      62.35682 
1 1 1 19  -11 1  o 172.4435 42.41292 8.102785       4.356113  9.989839       4.670236  -14.23341      76.36960 
1 1 1 19  -11 2  o 97.65326 41.32350 3.575157       4.198037  0.2277776      4.450742  17.26219       65.64563 
1 1 1 19  -11 3  o 74.90078 35.36872 0.3065943E-01  4.116547  -3.814034      4.523720  11.34406       58.81452 
1 1 1 19  -11 4  o 94.43431 40.94585 1.392905       4.275701  1.333298       4.612542  -1.579498      65.67749 
1 1 1 19  -11 5  o 143.9935 45.65874 7.474507       4.380816  5.158919       4.800599  19.51509       74.73280 
1 1 1 19  -11 6  o 162.1628 44.32935 7.790781       4.481474  8.028091       4.698045  -0.6885529     76.71852 
1 1 1 19  -11 7  o 110.1777 43.46874 3.629377       4.149014  2.728735       4.652819  4.103310       69.12862 
1 1 1 19  -11 8  o 128.8309 52.41045 0.000000       0.000000  5.413499       4.647038  ?              ?        
1 1 1 19  -11 9  f 81.03611 37.30787 0.1589471      4.163981  -1.494667      4.508328  4.494728       61.15796 
1 1 1 19  -11 10 o 96.50025 43.37452 1.775875       6.004043  0.3002395      4.984189  10.75353       69.82948 
1 1 1 19  -11 11 o 222.4090 50.36623 15.80566       6.999760  15.38988       6.592135  -2.184937      93.74559 
1 1 1 19  -11 12 o 136.2931 57.76984 6.983316       5.984922  0.000000       0.000000  ?              ?        
1 1 1 19  -11 13 o 111.6709 47.41202 2.898390       5.143461  4.244932       6.538341  -8.682365      74.52023 
1 1 1 19  -11 14 o 93.17986 43.02813 2.266206       5.245763  -3.367150      6.625697  11.95732       68.76981 
1 1 1 19  -11 15 o 83.25704 39.63784 0.1939671      5.109973  -4.870497      6.340505  7.624306       64.63367 
1 1 1 19  -10 0  o 71.56167 34.27434 -4.838026      4.033737  0.6767066      4.734142  -26.21629      58.99059 
1 1 1 19  -10 1  o 127.7441 45.61800 9.220445       4.729730  1.259620       4.420702  57.37834       72.21056 
1 1 1 19  -10 2  o 155.8262 44.15676 5.086163       4.208205  9.944238       4.768867  -40.26073      75.22123 
1 1 1 19  -10 3  o 110.4340 43.39037 3.758105       4.166973  2.308130       4.554221  7.961731       69.26694 
1 1 1 19  -10 4  o 105.7295 46.51897 2.477582       5.767911  0.6698815      6.060075  6.264366       74.27345 
1 1 1 19  -10 5  o 105.9084 46.92501 -0.8118713     5.750224  4.335444       6.555212  -24.59725      75.82805 
1 1 1 19  -10 6  o 195.8105 54.12229 14.57085       6.681574  9.866570       6.910552  34.33038       91.95832 
1 1 1 19  -10 7  o 153.0511 53.43254 10.01633       5.846532  4.441790       6.721451  34.29536       84.32186 
1 1 1 19  -10 8  o 243.7829 48.13939 16.50257       6.860583  18.43996       7.194052  -10.91150      95.17619 
1 1 1 19  -10 9  o 91.60794 42.54342 -0.8490428     5.560023  -1.128030      6.092350  -2.343544      69.62737 
1 1 1 19  -10 10 o 91.25781 42.05166 -5.299261      4.995072  6.811541       6.236095  -56.15785      72.07687 
1 1 1 19  -10 11 f 67.81438 33.22933 -3.528318      4.102453  -7.046030      5.774625  -5.354881      57.48706 
1 1 1 19  -10 12 o 74.56941 35.62870 -1.716098      4.035491  -4.277544      5.604054  -4.616631      60.19679 
1 1 1 19  -10 13 o 74.76306 35.06034 -2.621048      3.934018  -0.3187985     4.296151  -13.12474      58.89205 
1 1 1 19  -10 14 o 91.12225 41.14658 -1.414229      4.241981  4.112285       6.177404  -33.78455      69.27106 
1 1 1 19  -10 15 o 90.06762 40.22892 -0.4027531     3.889669  3.085636       5.872915  -26.22092      67.15561 
1 1 1 19  -10 16 o 195.8287 44.50066 10.81674       4.506027  13.14176       6.678716  6.433594       83.95782 
1 1 1 19  -10 17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  -9  0  o 187.3802 41.69690 10.26779       4.549877  9.503109       4.914730  11.00761       78.06632 
1 1 1 19  -9  1  o 127.3884 50.64279 11.56041       6.027157  -2.112518      5.946429  73.73904       79.04016 
1 1 1 19  -9  2  o 143.2755 52.03783 5.086632       5.637978  7.890751       6.376152  -16.93300      83.34707 
1 1 1 19  -9  3  o 117.3734 49.02739 -4.453521      5.423056  14.41365       6.686489  -105.0720      79.50665 
1 1 1 19  -9  4  o 159.7918 53.15561 7.127145       5.853852  8.885060       6.523627  -10.45224      86.65274 
1 1 1 19  -9  5  o 92.67224 41.55779 1.350770       4.291483  -2.723949      6.038242  4.462227       68.17120 
1 1 1 19  -9  6  o 174.6456 42.94817 7.312021       4.537875  9.529455       4.706577  -20.30571      77.21716 
1 1 1 19  -9  7  o 97.36510 44.57484 0.4406783      5.852348  -1.865847      6.286961  5.832260       73.01885 
1 1 1 19  -9  8  o 166.4407 54.44433 9.997786       6.172860  6.917732       6.822171  21.07890       88.40549 
1 1 1 19  -9  9  o 118.9982 49.33650 3.805596       5.833933  2.450200       6.110493  5.666847       78.61185 
1 1 1 19  -9  10 o 108.9938 47.93859 2.102545       6.043305  0.8498561      6.523588  2.870720       76.88506 
1 1 1 19  -9  11 o 140.2515 52.34092 3.185420       5.820005  9.465500       6.451774  -36.68463      83.40825 
1 1 1 19  -9  12 o 114.7707 48.17796 0.5946286      5.632764  5.631576       5.972651  -25.79100      76.80642 
1 1 1 19  -9  13 o 102.4577 45.61554 2.529475       5.781576  -0.2491566     5.915220  10.67933       73.07978 
1 1 1 19  -9  14 o 102.5751 45.42106 -0.1641971     5.626755  2.968534       5.816737  -14.07344      72.79950 
1 1 1 19  -9  15 o 86.36509 39.57250 -1.621054      5.352478  0.2314477      4.371418  -0.5120621     64.90282 
1 1 1 19  -9  16 o 157.5444 48.09573 10.27050       5.950586  6.564640       4.577157  20.61610       80.87273 
1 1 1 19  -9  17 o 68.81935 33.76799 -1.047976      5.849068  -6.856563      4.349915  28.65078       60.16155 
1 1 1 19  -9  18 o 83.38064 38.62881 1.653800       5.683185  -1.899791      4.156253  23.60355       64.74662 
1 1 1 19  -8  0  o 107.5291 46.79318 1.921617       5.590144  1.444888       6.115650  -0.4595413     75.05450 
1 1 1 19  -8  1  o 211.2365 49.44522 17.96932       6.336639  8.000121       6.391405  79.28931       87.02040 
1 1 1 19  -8  2  o 87.91543 39.19365 -1.278080      4.211190  1.449806       4.463228  -16.20245      64.65978 
1 1 1 19  -8  3  o 159.9922 52.67080 5.964680       5.959049  9.799511       6.154365  -25.65378      85.82044 
1 1 1 19  -8  4  o 135.3034 51.11943 7.680686       5.926058  2.669477       5.811862  30.05637       81.50540 
1 1 1 19  -8  5  o 102.6363 45.20492 -1.763316      5.523812  3.538628       5.664752  -25.21857      73.64754 
1 1 1 19  -8  6  o 130.6130 50.61271 5.969712       5.795423  2.970268       5.905449  16.96445       80.77124 
1 1 1 19  -8  7  o 93.09781 42.50327 -2.564563      5.358419  1.180638       5.563641  -17.11498      70.37803 
1 1 1 19  -8  8  o 233.0453 39.05706 12.51895       6.267296  14.99799       4.881853  -37.71803      80.90090 
1 1 1 19  -8  9  o 81.44597 37.22665 -0.6506653     3.978236  -1.436936      4.470304  -1.151306      62.23930 
1 1 1 19  -8  10 o 104.0203 41.73082 1.082468       3.824105  3.480307       4.451323  -20.66776      68.15020 
1 1 1 19  -8  11 o 105.0999 42.33842 1.791500       4.107898  2.614924       4.388264  -7.273766      68.59930 
1 1 1 19  -8  12 o 129.0694 44.62897 7.262127       4.344136  1.827440       4.349833  43.08842       71.71242 
1 1 1 19  -8  13 o 113.4144 42.68010 4.474349       3.886616  1.692759       4.308805  18.57736       68.49539 
1 1 1 19  -8  14 o 84.85740 37.60438 -0.4373482     3.712975  0.9528497      4.184368  -11.71605      61.96891 
1 1 1 19  -8  15 o 108.2190 46.11279 2.314561       3.848020  0.000000       0.000000  ?              ?        
1 1 1 19  -8  16 o 210.5629 33.52370 11.84111       4.127451  10.92373       4.345088  12.91089       70.17522 
1 1 1 19  -8  17 o 115.1995 42.29978 3.797476       3.736519  3.595762       4.235629  0.3882751      68.05728 
1 1 1 19  -8  18 o 102.2343 41.01821 1.211561       3.677214  4.255479       4.329532  -23.15559      66.23206 
1 1 1 19  -8  19 o 87.68478 38.34751 1.583595       3.823985  0.2863751E-01  4.113702  6.446625       61.87027 
1 1 1 19  -7  0  o 104.5868 42.29845 1.371779       4.053851  3.254249       4.481590  -14.84414      68.50651 
1 1 1 19  -7  1  o 121.5113 49.65562 5.577517       5.841119  1.208408       6.025873  21.89697       79.03271 
1 1 1 19  -7  2  o 128.5284 49.85633 2.606921       5.699400  5.947753       5.661916  -19.48925      79.65636 
1 1 1 19  -7  3  o 236.3018 46.43760 12.19593       6.137537  19.28551       7.094083  -50.26750      90.76284 
1 1 1 19  -7  4  o 396.4942 32.19778 38.29756       7.736161  37.97613       7.971250  4.751099       69.33840 
1 1 1 19  -7  5  o 465.2312 21.87565 50.15852       6.340703  49.24296       6.251189  3.978485       44.97976 
1 1 1 19  -7  6  o 398.5063 22.33420 39.05728       5.586627  34.15572       5.415298  27.69678       46.09386 
1 1 1 19  -7  7  o 113.2894 42.40905 2.936431       4.087546  2.938184       3.952771  0.7894135      69.02818 
1 1 1 19  -7  8  o 169.3990 40.69277 7.274247       4.301259  7.752938       4.147713  -5.501907      73.85135 
1 1 1 19  -7  9  o 232.4633 30.27286 15.53780       4.220016  10.52071       4.304853  52.55316       64.77159 
1 1 1 19  -7  10 f 206.2604 34.32034 8.618375       4.024858  13.10424       4.486574  -43.81834      69.58437 
1 1 1 19  -7  11 o 78.44621 36.04856 -1.229257      3.789813  -1.260553      4.280378  -5.162750      60.72322 
1 1 1 19  -7  12 o 221.1582 33.76086 8.733416       4.326849  16.06415       4.662007  -71.92761      69.15625 
1 1 1 19  -7  13 o 125.5453 46.13470 5.646699       4.043880  0.7407528      5.892309  24.31876       73.64262 
1 1 1 19  -7  14 o 352.1603 23.47585 30.30651       5.010499  27.67822       5.192511  19.65674       49.30227 
1 1 1 19  -7  15 o 283.6960 26.45129 19.85192       4.525775  18.74091       4.680774  11.57663       56.92770 
1 1 1 19  -7  16 o 208.6362 34.09607 10.47507       4.235975  11.96598       4.285426  -15.46239      70.72771 
1 1 1 19  -7  17 o 145.6513 41.33579 6.269006       3.912961  5.653964       3.901892  5.944427       70.88248 
1 1 1 19  -7  18 o 112.4983 42.58558 2.318925       3.906882  4.679610       4.271467  -18.14968      68.46851 
1 1 1 19  -7  19 o 111.3252 46.17846 3.067338       3.699287  0.000000       0.000000  ?              ?        
1 1 1 19  -7  20 o 93.83868 39.83916 -1.076155      3.838454  4.827923       4.268158  -37.66585      64.62610 
1 1 1 19  -6  0  o 100.9923 45.14170 -1.297035      5.693820  2.104454       5.882760  -15.72032      73.67673 
1 1 1 19  -6  1  o 104.1408 46.39048 -2.582086      6.150065  3.210993       5.966503  -23.41582      75.68739 
1 1 1 19  -6  2  o 403.6732 32.18056 38.07101       7.803052  40.69298       8.194446  -11.58829      68.92910 
1 1 1 19  -6  3  o 168.2456 41.51861 7.329381       4.129904  7.379569       4.507368  0.4835358      74.73022 
1 1 1 19  -6  4  o 293.5402 26.85612 16.61438       4.662224  24.21675       5.030959  -59.09401      57.12281 
1 1 1 19  -6  5  o 104.2479 41.86006 2.225060       3.999676  1.375486       4.277419  3.629448       68.34284 
1 1 1 19  -6  6  o 206.0037 34.59549 9.144891       4.200871  11.62842       4.330796  -25.81816      69.82469 
1 1 1 19  -6  7  o 117.2472 42.56443 6.742054       4.166228  0.8008184E-01  3.844454  57.26899       68.41975 
1 1 1 19  -6  8  o 272.6423 27.60431 13.92570       4.491004  21.23805       4.726712  -62.71902      59.22503 
1 1 1 19  -6  9  o 130.8801 43.07196 4.000494       3.938384  4.676496       4.169144  -6.905136      71.51429 
1 1 1 19  -6  10 o 165.8968 39.90167 5.006695       3.918381  9.452307       4.208858  -45.75826      71.17539 
1 1 1 19  -6  11 o 107.2246 40.33522 4.013645       3.728690  1.163287       3.565768  24.54063       65.63020 
1 1 1 19  -6  12 o 65.04393 31.71504 -5.820473      5.334902  -3.908505      3.520148  14.57519       56.84819 
1 1 1 19  -6  13 o 131.8135 49.46974 4.423153       3.871585  0.000000       0.000000  ?              ?        
1 1 1 19  -6  14 o 280.0797 27.06118 16.35126       4.520343  21.07603       4.776434  -38.30733      57.82092 
1 1 1 19  -6  15 o 122.2359 42.86861 3.990314       3.800397  3.745615       4.278671  0.3379898      70.08481 
1 1 1 19  -6  16 o 86.72103 37.76933 1.993475       3.694768  -1.318674      3.932894  17.43166       61.81140 
1 1 1 19  -6  17 o 93.88196 39.30468 1.554944       3.849411  1.227745       3.833516  2.215149       63.68340 
1 1 1 19  -6  18 o 110.7087 41.46003 2.548287       3.745776  3.743792       3.944841  -10.04127      66.98753 
1 1 1 19  -6  19 o 183.8603 38.13477 11.33377       4.102739  6.802836       4.318745  48.97473       71.54153 
1 1 1 19  -6  20 o 81.99812 36.58593 2.481970       3.603711  -2.773319      3.991147  24.76226       59.70791 
1 1 1 19  -6  21 o 116.6414 42.14566 3.877860       3.741919  3.941828       4.106318  -1.049057      67.85009 
1 1 1 19  -5  0  o 90.83676 42.45089 -5.502880      5.699329  1.749043       6.188299  -30.56908      71.94761 
1 1 1 19  -5  1  o 322.1226 26.58875 20.04851       4.957556  29.76868       5.639451  -65.97284      56.14295 
1 1 1 19  -5  2  o 153.1523 42.80748 6.422863       4.160995  5.737104       4.289653  6.632645       73.92966 
1 1 1 19  -5  3  o 263.7006 28.46923 19.37840       4.595717  13.27780       4.570856  55.77380       61.26815 
1 1 1 19  -5  4  o 75.11230 35.01332 -1.546091      3.935433  -2.617301      4.051012  3.697754       59.84974 
1 1 1 19  -5  5  o 450.1445 21.04922 51.93386       5.915376  40.00995       5.808835  61.22275       43.27147 
1 1 1 19  -5  6  o 413.7538 21.52926 38.18773       5.402521  39.44336       5.617133  -5.977325      43.99218 
1 1 1 19  -5  7  o 304.9480 24.98845 26.10603       4.807221  17.05387       4.572641  69.08621       52.97535 
1 1 1 19  -5  8  o 295.9250 25.23034 16.31047       4.460752  24.43417       4.725409  -63.58765      53.36797 
1 1 1 19  -5  9  o 441.8385 20.61501 41.22188       5.601380  47.10006       5.668453  -30.63333      42.09425 
1 1 1 19  -5  10 o 275.3539 26.49570 17.17625       4.418839  17.99706       4.522701  -6.377289      55.60762 
1 1 1 19  -5  11 o 83.12513 36.75526 0.9837290      3.768744  -1.550577      3.696407  16.16066       61.43967 
1 1 1 19  -5  12 o 188.1137 46.12643 0.000000       0.000000  9.397010       3.776360  ?              ?        
1 1 1 19  -5  13 o 153.0420 43.37538 9.885250       3.883033  0.3927912      4.904541  79.99361       68.10096 
1 1 1 19  -5  14 o 177.3482 36.67660 10.01962       3.954808  6.019524       3.850506  43.53525       68.86121 
1 1 1 19  -5  15 o 222.4404 30.61061 11.39694       4.073514  12.56590       4.151407  -11.69763      64.68298 
1 1 1 19  -5  16 o 407.9061 21.32906 40.59274       5.416208  36.11757       5.340974  25.24036       44.03709 
1 1 1 19  -5  17 o 189.5112 35.73034 8.910934       3.849998  9.594605       4.276224  -3.627121      70.78604 
1 1 1 19  -5  18 o 207.1696 32.31939 11.17414       3.949127  10.45933       4.090391  9.704788       67.61180 
1 1 1 19  -5  19 o 108.1599 45.56902 0.000000       0.000000  2.269353       3.687184  ?              ?        
1 1 1 19  -5  20 o 121.9884 41.59901 4.126172       3.725532  4.258303       3.822371  -1.245468      67.89860 
1 1 1 19  -5  21 o 170.6439 38.35987 6.468215       3.679548  10.16121       4.320175  -33.13136      71.49794 
1 1 1 19  -5  22 o 84.82434 37.20280 2.235372       3.523834  -1.480125      4.030451  16.67230       60.14891 
1 1 1 19  -4  0  o 75.82903 35.18416 -3.568965      3.778012  0.5208555      4.168480  -24.76717      60.43645 
1 1 1 19  -4  1  o 126.7308 43.43291 3.261516       3.943274  4.757164       4.309258  -14.51916      71.68238 
1 1 1 19  -4  2  o 478.0272 20.98185 57.22430       6.230439  46.38146       6.183026  52.62833       43.04667 
1 1 1 19  -4  3  o 341.0486 23.50726 25.17904       4.747934  28.16823       5.163731  -18.15778      48.42552 
1 1 1 19  -4  4  o 412.3457 21.26608 35.57354       5.202948  41.81971       5.669444  -32.96643      43.37688 
1 1 1 19  -4  5  o 260.5974 27.87021 17.90678       4.377898  13.43328       4.495347  42.15613       59.47688 
1 1 1 19  -4  6  o 442.7730 20.70255 45.50838       5.596071  42.70998       5.747868  15.33514       42.19384 
1 1 1 19  -4  7  o 241.1562 30.13740 15.99347       4.410953  11.17866       4.409510  47.55324       63.69540 
1 1 1 19  -4  8  o 232.0202 31.02022 15.76647       4.399907  9.635881       4.307338  61.44493       64.91846 
1 1 1 19  -4  9  o 319.8960 23.61711 22.78781       4.610447  23.81095       4.697759  -7.057312      48.62387 
1 1 1 19  -4  10 f 319.1664 24.07991 22.94215       4.617617  23.58206       4.855994  -3.362305      49.72175 
1 1 1 19  -4  11 o 335.6802 32.42442 26.55963       4.714828  0.000000       0.000000  ?              ?        
1 1 1 19  -4  12 o 150.8443 49.85337 0.000000       0.000000  5.869796       3.834044  ?              ?        
1 1 1 19  -4  13 o 99.91497 39.80923 2.218295       3.756678  1.140508       3.659486  9.048782       65.17158 
1 1 1 19  -4  14 o 263.7794 25.83066 19.09881       4.301208  13.73418       4.054682  46.80731       54.92683 
1 1 1 19  -4  15 o 152.9701 39.88011 6.061095       3.820462  6.110055       3.824436  -0.5095520     70.42002 
1 1 1 19  -4  16 o 332.6512 22.90837 24.84209       4.631958  26.29258       4.767550  -9.271179      47.49199 
1 1 1 19  -4  17 o 385.4764 21.10901 34.81049       4.999377  33.51356       5.057733  8.372223       43.53131 
1 1 1 19  -4  18 o 93.48380 38.73718 3.056496       3.632119  -0.4813451     3.721531  23.48442       62.85616 
1 1 1 19  -4  19 o 179.3352 47.60216 0.000000       0.000000  9.435739       3.806418  ?              ?        
1 1 1 19  -4  20 o 144.0031 39.65738 6.018776       3.715653  5.376062       3.596756  6.298401       68.75539 
1 1 1 19  -4  21 o 89.90918 37.83235 -1.011301      3.531969  3.703477       3.644707  -31.98724      61.29619 
1 1 1 19  -4  22 o 185.9265 35.89943 9.610557       3.758547  8.788292       4.271468  14.96997       70.81239 
1 1 1 19  -4  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  -3  0  o 91.36481 39.07490 -1.736601      3.668359  3.601082       4.265561  -40.79025      65.32224 
1 1 1 19  -3  1  o 259.7927 28.30245 15.44270       4.354118  16.15703       4.633762  -4.385803      59.86525 
1 1 1 19  -3  2  o 82.39151 36.71179 -1.857797      3.671525  0.8768106      3.932595  -19.36715      61.88388 
1 1 1 19  -3  3  o 222.3176 30.94992 11.39630       3.978441  11.90569       4.352025  -2.860046      64.57622 
1 1 1 19  -3  4  o 109.2204 41.83969 0.6807713      3.766555  4.163903       4.198441  -31.29973      68.72777 
1 1 1 19  -3  5  o 163.8735 41.10949 4.462754       4.006815  9.211152       4.357954  -49.04263      72.11680 
1 1 1 19  -3  6  o 267.8112 26.77363 14.36299       4.194401  18.95060       4.611868  -38.27548      55.90297 
1 1 1 19  -3  7  o 319.1458 23.70842 23.67574       4.544628  22.40835       4.784839  10.47870       48.88737 
1 1 1 19  -3  8  o 127.6166 42.55247 4.299948       3.857747  3.251823       4.045227  8.441849       70.62698 
1 1 1 19  -3  9  o 78.26025 35.44265 -2.127842      3.631094  -0.6670614E-01 3.775734  -13.76314      60.25591 
1 1 1 19  -3  10 o 184.8161 36.20226 7.564009       3.952725  8.939462       4.052911  -14.97887      69.66625 
1 1 1 19  -3  11 o 107.2338 40.51995 -1.339942      3.597914  6.170082       3.783534  -64.74213      64.46321 
1 1 1 19  -3  12 o 61.84056 30.06363 -3.719159      3.720879  -4.510640      3.598086  4.901138       53.32039 
1 1 1 19  -3  13 o 159.1660 39.53352 9.783361       3.968407  3.144985       3.807892  69.71755       67.56369 
1 1 1 19  -3  14 o 254.1883 27.14681 16.09243       4.262551  14.04462       4.167613  18.65756       57.28956 
1 1 1 19  -3  15 o 106.5109 39.77001 2.957824       3.638786  1.986011       3.429194  9.811447       65.07502 
1 1 1 19  -3  16 o 108.1303 40.21840 4.332314       3.663085  0.9951359      3.544908  28.83179       65.33006 
1 1 1 19  -3  17 o 173.5291 36.83940 8.645302       3.882745  6.647072       3.804030  21.88394       69.37990 
1 1 1 19  -3  18 o 113.4435 41.13538 1.667172       3.654631  4.702926       3.811091  -26.31026      66.86184 
1 1 1 19  -3  19 o 116.4092 41.57941 3.212950       3.732251  3.727927       3.860378  -4.818169      67.76115 
1 1 1 19  -3  20 o 117.0287 40.19762 4.927955       3.576142  2.437282       3.475141  22.67174       65.57642 
1 1 1 19  -3  21 o 194.7193 31.56499 14.22324       3.890398  5.759331       3.504314  90.41620       62.23708 
1 1 1 19  -3  22 o 75.28766 34.05714 0.7238761      3.538675  -1.310409      3.286929  13.80249       56.56145 
1 1 1 19  -3  23 o 74.41376 33.62154 0.2224183      3.224398  -0.8981835     3.397545  4.506432       55.48914 
1 1 1 19  -2  0  f 282.0614 26.46382 16.13461       4.375851  21.25484       4.806983  -40.11848      55.60593 
1 1 1 19  -2  1  o 164.2598 41.04884 8.516959       4.087381  4.915512       4.259085  36.88335       72.29562 
1 1 1 19  -2  2  o 145.0471 42.24429 8.491261       4.025042  1.966220       4.037425  63.09973       69.19917 
1 1 1 19  -2  3  o 126.7134 42.71653 2.722614       3.797285  5.003906       4.186263  -22.92104      70.86497 
1 1 1 19  -2  4  o 316.2864 23.06200 21.26766       4.310056  24.23816       4.702898  -20.18005      47.30108 
1 1 1 19  -2  5  o 196.8727 33.69197 8.499917       3.802359  9.941137       4.154536  -14.64294      67.22429 
1 1 1 19  -2  6  o 409.4426 28.29395 38.24031       5.050205  0.000000       0.000000  ?              ?        
1 1 1 19  -2  7  o 444.4193 20.54157 42.09013       5.415020  46.72662       5.913056  -22.45901      41.66853 
1 1 1 19  -2  8  o 110.3656 41.59819 2.492047       3.810127  2.083566       3.954937  2.020378       68.40398 
1 1 1 19  -2  9  o 548.4869 18.53229 62.28205       6.026626  72.79459       6.605817  -42.36957      37.43419 
1 1 1 19  -2  10 o 275.0027 25.64164 15.14943       4.081470  19.87188       4.615122  -37.75587      53.17329 
1 1 1 19  -2  11 o 90.26736 37.92746 0.3543385      3.527838  0.7754902      3.669927  -4.698563      62.93609 
1 1 1 19  -2  12 f 450.3059 19.42026 47.50049       5.534542  43.53469       5.297228  19.49869       39.37275 
1 1 1 19  -2  13 o 107.6291 40.55835 4.183889       3.677586  0.3331024      3.699513  31.92391       65.94130 
1 1 1 19  -2  14 o 101.1824 39.60458 1.220190       3.680636  2.266665       3.544202  -7.028076      64.90754 
1 1 1 19  -2  15 o 145.6369 40.53950 3.257296       3.768250  7.507300       3.825522  -43.79121      68.74264 
1 1 1 19  -2  16 o 120.1590 46.45028 0.000000       0.000000  3.129512       3.477741  ?              ?        
1 1 1 19  -2  17 o 162.3022 38.79200 7.342879       3.928942  6.239151       3.779990  11.50642       70.44168 
1 1 1 19  -2  18 o 135.2222 40.16706 6.298997       3.650894  3.244150       3.578833  31.04961       67.55026 
1 1 1 19  -2  19 o 251.1672 26.78197 15.40061       3.943891  14.52752       4.295488  12.36255       57.70151 
1 1 1 19  -2  20 o 62.46426 30.10818 -3.623418      3.399651  -2.382060      3.555498  -7.147606      52.28567 
1 1 1 19  -2  21 o 78.95831 34.98501 -0.1372542     3.430804  0.1507003      3.366629  -1.068748      57.69218 
1 1 1 19  -2  22 o 79.03970 35.14238 -0.4767608     3.382756  0.4714763      3.539838  -7.120995      57.98798 
1 1 1 19  -2  23 o 113.9677 40.01369 2.006296       3.574047  5.013432       3.433384  -25.58260      64.46850 
1 1 1 19  -2  24 o 98.77085 39.50194 5.072312       3.658969  -0.5168814     3.668865  39.39900       62.87025 
1 1 1 19  -1  0  o 170.3992 40.39975 6.728662       4.140996  7.910883       4.272071  -12.11942      73.45040 
1 1 1 19  -1  1  o 89.89828 38.59854 0.3925973      3.835310  0.1691361      3.897118  0.7451782      64.07304 
1 1 1 19  -1  2  o 206.5667 33.12433 10.61727       4.051587  9.582608       4.152405  11.85143       67.24776 
1 1 1 19  -1  3  o 227.7778 30.43927 8.533318       4.101102  15.94790       4.292137  -74.76201      63.33274 
1 1 1 19  -1  4  o 120.4352 42.78894 2.620962       3.845569  3.752476       4.205684  -12.45319      70.69452 
1 1 1 19  -1  5  o 729.9786 18.64424 119.3468       8.298998  117.9305       8.579156  5.217224       37.64274 
1 1 1 19  -1  6  o 125.4254 43.04480 1.890563       3.864087  5.467984       4.245317  -34.57513      71.02904 
1 1 1 19  -1  7  o 321.5482 23.39049 21.81147       4.417099  25.08047       4.885493  -21.90778      47.86416 
1 1 1 19  -1  8  o 74.27657 34.30331 -2.190128      3.497760  -1.431458      3.938061  -10.28248      59.20838 
1 1 1 19  -1  9  o 637.3044 18.04165 93.58417       7.084410  86.94723       7.166876  24.16278       36.42010 
1 1 1 19  -1  10 o 269.0837 26.10877 16.28910       4.260150  16.64445       4.347831  -2.708130      54.15237 
1 1 1 19  -1  11 o 195.8265 34.45734 8.994852       3.906495  9.131773       4.172513  -0.5801697     68.29118 
1 1 1 19  -1  12 o 391.2853 19.79963 32.79034       4.615341  35.99482       4.986555  -17.66879      40.18469 
1 1 1 19  -1  13 o 591.6571 17.99490 81.08548       6.612177  75.13664       6.581446  23.07428       36.37337 
1 1 1 19  -1  14 o 235.4021 27.65671 17.24780       4.077881  8.863245       3.854762  82.97820       58.91754 
1 1 1 19  -1  15 o 99.81485 39.05804 3.035830       3.549351  0.4242400      3.473251  21.98310       63.94279 
1 1 1 19  -1  16 f 190.3768 32.58326 9.803532       3.757889  7.681652       3.663218  23.94441       65.13125 
1 1 1 19  -1  17 f 76.41541 34.51514 1.608564       3.593936  -2.920484      3.380906  29.49194       58.53371 
1 1 1 19  -1  18 o 118.4114 40.24428 4.181502       3.409203  2.633625       3.666529  13.07200       66.16305 
1 1 1 19  -1  19 o 259.1283 25.26549 18.78698       3.993245  12.61840       4.026403  58.13596       54.90778 
1 1 1 19  -1  20 o 212.9952 29.37436 11.23106       3.694221  10.79245       3.867470  6.829834       62.27167 
1 1 1 19  -1  21 o 116.4253 39.90263 3.038988       3.389841  4.121453       3.561511  -10.43839      65.46261 
1 1 1 19  -1  22 o 224.0037 28.50866 14.86233       3.898165  9.845058       3.845904  53.36577       61.47466 
1 1 1 19  -1  23 o 90.43876 37.07379 3.592624       3.341833  -0.5253480     3.297257  30.33270       59.82567 
1 1 1 19  -1  24 o 92.76531 37.65191 -0.2898186     3.386940  3.791426       3.378435  -29.58617      60.46957 
1 1 1 19  -1  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  0   0  o 124.4213 43.50493 5.667772       4.228739  1.739479       4.050180  34.37662       71.10648 
1 1 1 19  0   1  o 330.0407 23.82878 24.40604       4.803015  25.16749       4.889435  -4.969391      49.02194 
1 1 1 19  0   2  o 455.3383 19.84583 41.93923       5.412602  51.64592       5.790741  -47.86642      40.27822 
1 1 1 19  0   3  o 361.2731 21.93593 27.05430       4.744214  31.96704       5.056262  -30.40198      44.71597 
1 1 1 19  0   4  o 304.9360 35.89090 0.000000       0.000000  21.73788       4.708757  ?              ?        
1 1 1 19  0   5  o 218.8772 33.31340 11.62818       4.292997  10.69085       4.473804  10.61998       68.07616 
1 1 1 19  0   6  o 473.5655 19.21556 49.15359       5.473413  50.84121       5.807605  -7.328888      38.85984 
1 1 1 19  0   7  o 490.1408 19.22747 52.93981       5.720857  54.06716       5.955550  -4.698303      38.84947 
1 1 1 19  0   8  o 223.0948 31.79001 14.28973       4.169531  8.438603       4.389134  61.28177       65.68394 
1 1 1 19  0   9  o 470.1530 19.33240 53.08862       5.584413  45.23388       5.668903  38.80118       39.25501 
1 1 1 19  0   10 o 269.3460 36.17834 16.93853       4.166265  0.000000       0.000000  ?              ?        
1 1 1 19  0   11 o 455.0693 18.97056 41.66154       5.063706  51.75040       5.675314  -49.22949      38.33797 
1 1 1 19  0   12 o 195.0501 33.21296 6.581254       3.676749  11.86916       4.108470  -57.39716      65.16026 
1 1 1 19  0   13 o 310.6970 22.91893 21.62184       4.386179  21.94124       4.386045  -2.409790      46.95107 
1 1 1 19  0   14 o 392.5261 23.60400 34.75679       4.759556  35.08125       7.677256  12.27692       55.09695 
1 1 1 19  0   15 o 101.5523 39.63043 -0.9094371     3.555624  4.580168       3.659245  -45.60062      64.19697 
1 1 1 19  0   16 o 148.2378 38.22749 6.499947       3.604065  4.463932       3.475365  22.77913       67.35187 
1 1 1 19  0   17 o 165.9111 34.94091 6.142275       3.438086  7.411849       3.528162  -14.70187      65.86713 
1 1 1 19  0   18 o 103.4979 38.22040 0.4170811      3.221190  4.316013       3.265085  -35.43095      61.82871 
1 1 1 19  0   19 o 80.36882 35.11712 0.1592779      3.275087  -0.1247470     3.357073  0.8950348      58.30742 
1 1 1 19  0   20 f 259.8501 24.20734 17.75976       3.911187  13.90785       3.805206  34.74915       51.38026 
1 1 1 19  0   21 o 93.53271 37.92084 1.036465       3.415037  2.005344       3.438545  -7.402588      61.69211 
1 1 1 19  0   22 o 113.7183 39.19257 4.373118       3.344776  2.423130       3.358090  17.89957       63.95176 
1 1 1 19  0   23 o 237.3529 25.76352 13.27437       3.706749  13.88220       3.758835  -5.587936      55.49960 
1 1 1 19  0   24 o 93.50098 37.12138 0.9152533      3.202843  2.920474       3.221930  -15.67953      59.81227 
1 1 1 19  0   25 o 165.3311 33.85080 11.71663       3.619630  3.968264       3.140577  84.21509       61.37974 
1 1 1 19  1   0  o 175.5138 39.68357 6.853040       4.218035  8.458733       4.219577  -16.96635      73.09753 
1 1 1 19  1   1  o 316.0296 23.75009 20.68812       4.627044  24.70120       4.616767  -29.99796      49.17410 
1 1 1 19  1   2  f 282.9189 25.38739 20.14436       4.486746  16.45779       4.333597  30.08566       52.77930 
1 1 1 19  1   3  o 200.8340 35.17302 8.449924       4.145513  10.73310       4.303553  -24.13608      69.56382 
1 1 1 19  1   4  o 648.0646 18.60506 87.85323       7.261862  99.76286       7.700712  -41.09607      37.52850 
1 1 1 19  1   5  o 323.3995 23.78569 28.62967       4.786700  18.65171       4.691333  72.20358       49.95854 
1 1 1 19  1   6  o 118.9524 42.13172 4.272028       3.792255  1.547852       3.992659  22.26897       69.12563 
1 1 1 19  1   7  o 93.58986 39.23396 0.7176410      3.807400  0.3594725      3.863828  1.826920       65.22591 
1 1 1 19  1   8  o 411.1950 20.21150 40.94158       5.179875  34.51877       5.100261  35.89188       41.01304 
1 1 1 19  1   9  o 141.2599 41.44743 4.841795       3.725933  4.610324       4.027730  0.9108276      70.84915 
1 1 1 19  1   10 o 243.6103 28.35244 12.76529       4.066601  14.43259       4.357563  -14.87932      58.97253 
1 1 1 19  1   11 o 474.4352 18.87559 55.19608       5.604341  45.17278       5.485636  48.39499       38.24419 
1 1 1 19  1   12 o 418.4761 19.33617 36.45394       4.794232  42.12806       5.248326  -29.96695      39.11778 
1 1 1 19  1   13 o 116.1480 41.64327 2.162974       3.783934  3.504139       3.836879  -12.23775      68.62263 
1 1 1 19  1   14 o 451.2475 26.01391 46.16579       5.127163  0.000000       0.000000  ?              ?        
1 1 1 19  1   15 o 494.6436 17.86540 51.94993       5.366040  57.47345       5.586140  -25.03085      36.11665 
1 1 1 19  1   16 o 333.6350 21.08287 23.06235       4.237824  27.40615       4.452126  -29.37323      43.11953 
1 1 1 19  1   17 o 136.6504 39.93310 6.418554       3.658783  2.979784       3.537933  36.10797       67.33326 
1 1 1 19  1   18 o 105.3647 39.55844 3.136078       3.465455  1.460812       3.539296  13.61917       64.58105 
1 1 1 19  1   19 o 81.23392 35.52026 -0.6741989     3.335203  0.7735533      3.462626  -10.84869      59.03362 
1 1 1 19  1   20 o 148.2858 37.72713 6.430908       3.425865  4.809774       3.532952  18.20911       66.81062 
1 1 1 19  1   21 o 98.86163 37.90369 0.5960413      3.151376  3.750432       3.371610  -28.40751      61.63510 
1 1 1 19  1   22 o 88.92863 36.07887 -0.3623467     3.036720  3.217198       3.176731  -29.53887      58.67781 
1 1 1 19  1   23 o 97.55370 37.27025 1.234751       3.124721  3.143085       3.156790  -16.36120      60.30621 
1 1 1 19  1   24 f 109.0305 38.37404 2.045689       3.161790  4.348451       3.285547  -21.46157      62.35970 
1 1 1 19  1   25 o 113.5022 37.33825 4.215171       3.071766  2.901882       3.014530  13.19492       61.47864 
1 1 1 19  1   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  2   0  o 235.3539 30.50865 14.18622       4.447857  11.92915       4.257203  21.43126       64.00482 
1 1 1 19  2   1  o 397.7330 21.11329 36.25439       5.265860  35.02490       5.118195  6.566467       42.99210 
1 1 1 19  2   2  o 523.8954 19.14232 62.27126       6.268889  60.41134       6.153661  7.823242       38.72227 
1 1 1 19  2   3  o 161.7940 40.47829 6.512278       4.065763  6.217465       4.038646  3.152100       72.25961 
1 1 1 19  2   4  o 529.7502 18.83849 61.03962       6.131114  63.94742       6.231620  -12.37970      38.03027 
1 1 1 19  2   5  o 554.4353 18.67322 72.93311       6.534390  64.07143       6.298272  36.18939       37.67982 
1 1 1 19  2   6  o 517.8195 18.91439 57.62060       5.972224  61.70761       6.162998  -17.71594      38.15703 
1 1 1 19  2   7  o 265.6541 26.60597 16.50527       4.291929  15.44074       4.359823  9.793549       55.17346 
1 1 1 19  2   8  o 98.85400 40.51226 3.016787       3.934201  -1.134553      3.990807  29.35574       66.73003 
1 1 1 19  2   9  o 224.6008 30.15793 10.88262       4.057462  12.28002       4.134946  -14.26424      62.29271 
1 1 1 19  2   10 o 424.1486 19.58877 37.99730       4.985570  42.33636       5.309835  -22.77780      39.58732 
1 1 1 19  2   11 o 609.7042 17.80718 82.22250       6.661413  82.73035       6.795958  -1.628845      35.86877 
1 1 1 19  2   12 o 367.3748 20.33537 28.04049       4.427701  32.60768       4.830915  -27.54996      41.22627 
1 1 1 19  2   13 o 524.8433 25.82337 0.000000       0.000000  62.09593       5.926638  ?              ?        
1 1 1 19  2   14 o 300.4303 25.99577 23.34349       4.221611  15.29849       5.697791  73.21016       62.34213 
1 1 1 19  2   15 o 391.2876 19.02965 34.61626       4.566885  33.82264       4.644285  4.952789       38.58283 
1 1 1 19  2   16 o 190.2834 32.63310 7.183408       3.661343  10.06865       3.767554  -32.72205      64.74109 
1 1 1 19  2   17 o 216.7442 28.20355 8.744102       3.603591  13.41093       3.809258  -49.37410      58.93187 
1 1 1 19  2   18 o 95.22628 38.24711 1.534367       3.447214  1.190163       3.452928  2.628983       62.78344 
1 1 1 19  2   19 o 117.3199 40.07468 2.338387       3.565173  4.300126       3.441777  -17.61977      65.80059 
1 1 1 19  2   20 o 219.2696 28.41064 9.289955       3.675009  13.87993       3.880548  -47.85362      60.03289 
1 1 1 19  2   21 o 408.5937 18.35800 36.92685       4.562695  38.96272       4.723731  -10.58551      37.50231 
1 1 1 19  2   22 o 88.67335 36.36135 0.5306344      3.091507  2.002819       3.307920  -13.18961      59.42995 
1 1 1 19  2   23 f 154.5320 39.49238 11.18642       4.595074  4.136286       3.311600  65.40813       70.27142 
1 1 1 19  2   24 o 159.4410 33.76260 7.422955       3.250931  5.830105       3.219619  19.00366       63.86368 
1 1 1 19  2   25 o 117.2631 37.89933 5.794584       3.232870  2.089824       3.058104  36.93330       61.96746 
1 1 1 19  2   26 o 77.46789 33.46548 -0.2301743     2.965245  1.377910       2.916162  -10.48182      54.50348 
1 1 1 19  3   0  o 320.0492 24.91547 20.50855       4.842240  26.52518       4.975685  -43.72699      51.94817 
1 1 1 19  3   1  o 288.6103 25.90116 22.45741       4.745678  16.08356       4.444785  50.67160       54.24553 
1 1 1 19  3   2  o 297.6919 24.79251 16.74200       4.445323  23.80583       4.634109  -55.14941      51.86139 
1 1 1 19  3   3  o 215.4793 31.83744 8.631603       4.123907  12.99815       4.131330  -46.45410      65.13457 
1 1 1 19  3   4  o 364.1459 22.07018 29.10326       5.028759  30.31466       4.897763  -8.174377      44.95079 
1 1 1 19  3   5  o 156.7617 41.22516 5.256981       4.023627  6.603817       4.100431  -14.22179      72.37894 
1 1 1 19  3   6  f 477.4198 19.40020 46.96379       5.635568  54.69644       5.836654  -36.81812      39.20604 
1 1 1 19  3   7  o 156.3047 41.88357 7.937348       4.197592  3.872923       4.090288  41.73087       72.08842 
1 1 1 19  3   8  o 304.2174 24.17250 23.73517       4.656753  18.15022       4.402302  42.08426       49.71034 
1 1 1 19  3   9  o 269.6920 26.12472 16.38477       4.258869  16.47147       4.375237  -0.3002625     53.97949 
1 1 1 19  3   10 o 114.6612 41.63885 1.564257       3.700076  3.800670       3.961674  -21.95254      68.68194 
1 1 1 19  3   11 o 184.8929 35.56550 9.754264       3.903827  6.269443       3.958795  38.93906       67.82403 
1 1 1 19  3   12 o 151.4463 39.90113 6.291633       3.757559  4.654208       3.844414  17.34731       69.85452 
1 1 1 19  3   13 o 135.9820 49.33686 0.000000       0.000000  3.906206       3.795222  ?              ?        
1 1 1 19  3   14 o 303.3469 22.53522 19.88012       4.079548  21.61885       4.354302  -12.34613      46.09219 
1 1 1 19  3   15 o 269.3281 23.45164 17.21496       3.915379  15.62594       3.843678  13.58972       48.35960 
1 1 1 19  3   16 o 180.4169 32.77508 6.236512       3.408543  9.433982       3.672174  -36.82021      63.82237 
1 1 1 19  3   17 o 99.53467 38.21547 1.832156       3.237318  1.734676       3.393986  -0.7339859     62.79705 
1 1 1 19  3   18 o 127.9142 39.40415 6.226583       3.398594  1.701354       3.470901  45.93898       64.62491 
1 1 1 19  3   19 o 120.7040 39.59372 4.871053       3.384513  2.206610       3.461648  25.74683       65.25655 
1 1 1 19  3   20 o 146.4138 37.77905 2.275188       3.441615  8.779131       3.466679  -70.38672      63.04094 
1 1 1 19  3   21 o 427.4059 17.96540 44.32178       4.801144  38.50607       4.705348  31.08868       36.67995 
1 1 1 19  3   22 o 252.6395 23.20683 15.56853       3.618872  14.31174       3.574183  11.54947       48.96025 
1 1 1 19  3   23 o 85.93517 35.66137 0.5252421E-01  3.222020  1.968224       3.030375  -12.38970      58.00066 
1 1 1 19  3   24 o 95.70881 36.77749 2.648701       3.169792  1.576371       2.979131  10.34467       59.64989 
1 1 1 19  3   25 o 109.0722 36.95566 3.302106       3.132515  3.132521       2.842850  2.407150       60.70549 
1 1 1 19  3   26 f 114.7056 43.04243 0.000000       0.000000  3.781418       2.930672  ?              ?        
1 1 1 19  3   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  4   0  o 90.29765 38.83903 -0.7099360E-01 3.898510  0.6144664      3.956811  -5.013718      64.47568 
1 1 1 19  4   1  o 240.3567 30.01414 12.00006       4.349315  14.96493       4.406838  -29.02307      63.06795 
1 1 1 19  4   2  o 141.5682 42.38960 4.956240       3.977397  4.793129       4.049377  1.314102       72.01919 
1 1 1 19  4   3  o 244.4274 28.94547 12.28052       4.259424  15.25165       4.349451  -28.45448      60.57812 
1 1 1 19  4   4  o 181.7526 38.36875 8.268955       4.221217  7.549347       4.159182  7.712326       72.09270 
1 1 1 19  4   5  o 329.5627 23.23599 20.34627       4.588542  28.92748       4.862985  -59.78030      47.89648 
1 1 1 19  4   6  f 168.9200 40.39191 9.631109       4.229485  4.188623       4.122858  56.87286       70.97907 
1 1 1 19  4   7  o 297.6439 24.65325 19.46775       4.567401  20.36697       4.456735  -7.493225      50.63700 
1 1 1 19  4   8  o 160.1671 40.17206 5.736393       4.071924  6.477665       3.901192  -7.547211      71.54414 
1 1 1 19  4   9  o 113.8306 42.12305 3.276632       3.969002  1.653290       3.916648  14.15977       69.38350 
1 1 1 19  4   10 o 234.0981 29.75511 15.74755       4.314277  9.552938       4.138067  61.34337       61.99091 
1 1 1 19  4   11 o 341.4627 21.68651 26.26499       4.526570  25.82264       4.614342  3.260956       44.07684 
1 1 1 19  4   12 o 537.2148 17.61250 71.12216       6.105906  57.92832       5.644012  55.32007       35.48866 
1 1 1 19  4   13 f 111.5888 42.90625 0.9137483      4.962350  2.802835       3.680032  -1.677269      71.02107 
1 1 1 19  4   14 f 250.2501 25.97489 12.15618       3.891239  16.48017       4.061507  -40.20943      54.28277 
1 1 1 19  4   15 o 125.5325 40.44299 5.665118       3.612708  1.722950       3.547331  39.52805       66.57289 
1 1 1 19  4   16 o 505.0563 17.11184 57.20416       5.333108  56.35866       5.373815  3.971924       34.54302 
1 1 1 19  4   17 o 187.3426 31.45337 9.643183       3.585341  7.029268       3.469251  30.28891       62.74594 
1 1 1 19  4   18 o 285.2632 22.49414 19.63018       3.886591  17.31284       4.012949  19.91876       46.66964 
1 1 1 19  4   19 o 207.1798 28.50850 9.605506       3.491628  10.66572       3.647086  -10.87502      59.47239 
1 1 1 19  4   20 o 94.59042 37.66255 0.5996984      3.196929  2.627047       3.449271  -18.57498      61.68349 
1 1 1 19  4   21 o 132.4702 38.61505 6.850603       3.321406  2.067673       3.414556  49.92536       63.70947 
1 1 1 19  4   22 o 264.7305 22.35960 16.62326       3.608437  15.92145       3.667367  6.892059       46.84257 
1 1 1 19  4   23 o 136.3353 37.30013 6.537886       3.328205  3.498101       3.168318  33.41103       64.11867 
1 1 1 19  4   24 o 101.1676 37.15503 5.292263       3.181025  0.1616916      2.947563  47.99243       59.49255 
1 1 1 19  4   25 o 231.0293 23.14740 12.17179       3.328612  13.25584       3.219463  -12.94592      49.74243 
1 1 1 19  4   26 o 140.1190 34.03874 6.922466       3.179089  4.141333       2.729854  30.65775       61.47051 
1 1 1 19  4   27 o 80.68225 36.74057 0.1860495      4.304162  -0.3317815     3.827761  5.874634       59.95149 
1 1 1 19  5   0  o 253.7527 29.52745 12.91920       4.549379  17.24080       4.572994  -40.78537      62.76090 
1 1 1 19  5   1  o 266.8382 27.64567 18.09944       4.579482  14.85890       4.443282  28.20984       58.09891 
1 1 1 19  5   2  o 287.9918 37.80400 0.000000       0.000000  19.72822       4.660306  ?              ?        
1 1 1 19  5   3  o 403.5886 20.84316 36.42665       5.163591  36.56185       5.238207  -0.5212708     42.31532 
1 1 1 19  5   4  o 272.4382 27.08379 20.72460       4.577711  13.26167       4.457842  64.67993       57.55266 
1 1 1 19  5   5  o 122.1841 43.92688 -0.4797070     4.121364  7.136382       4.375380  -65.54631      70.29650 
1 1 1 19  5   6  o 352.0670 22.24196 30.06185       4.880593  25.51104       4.786178  29.75864       45.34336 
1 1 1 19  5   7  o 399.5136 20.56797 39.44132       5.189266  32.00253       4.977604  42.46347       41.73091 
1 1 1 19  5   8  o 615.2946 18.17292 83.10815       6.926235  84.78236       6.931044  -6.239685      36.59226 
1 1 1 19  5   9  o 257.4938 27.70425 17.53378       4.369812  12.56914       4.341580  45.70979       58.21761 
1 1 1 19  5   10 o 197.6190 48.93898 0.000000       0.000000  9.518903       4.219675  ?              ?        
1 1 1 19  5   11 o 217.0214 30.94074 15.99220       4.246569  6.530059       3.874062  97.06104       62.51518 
1 1 1 19  5   12 o 267.9090 25.81498 14.77311       4.249987  17.64950       4.224371  -25.54356      53.65543 
1 1 1 19  5   13 o 221.6829 30.28128 8.105434       3.965961  14.80561       4.151134  -69.15065      62.43448 
1 1 1 19  5   14 o 161.9089 37.92249 6.933787       3.720859  5.611151       3.762480  14.81033       68.84343 
1 1 1 19  5   15 o 334.9124 20.46908 22.86204       4.151917  27.54053       4.317335  -31.87332      41.69007 
1 1 1 19  5   16 o 256.5600 24.42183 13.40732       3.784696  16.59333       3.897585  -28.88318      50.81333 
1 1 1 19  5   17 f 204.3848 29.02734 10.55769       3.570621  8.895459       3.583067  19.02728       59.96622 
1 1 1 19  5   18 o 93.56868 37.90472 1.354823       3.370005  0.9661177      3.473637  1.890839       62.39010 
1 1 1 19  5   19 o 277.6943 21.99809 15.92112       3.648179  19.44334       3.879351  -28.49976      45.47199 
1 1 1 19  5   20 f 200.4845 29.05746 8.689079       3.400562  10.62743       3.627434  -20.62016      60.38427 
1 1 1 19  5   21 o 97.03960 37.44239 -0.4497249     3.053623  4.674376       3.349441  -46.80856      60.62008 
1 1 1 19  5   22 o 218.3010 26.08307 9.320176       3.427834  13.35478       3.497767  -43.81599      55.73952 
1 1 1 19  5   23 o 224.9936 25.78106 9.130022       3.457468  15.35317       3.614359  -65.08917      55.81057 
1 1 1 19  5   24 o 152.1883 34.82141 9.042770       3.406483  3.751082       3.054179  59.84702       62.19514 
1 1 1 19  5   25 o 268.9636 21.47742 12.93608       3.549680  21.15485       3.557580  -74.35909      47.53158 
1 1 1 19  5   26 o 80.42329 36.56319 -0.2083704     4.203305  -0.1790108     3.798838  3.039665       59.83060 
1 1 1 19  5   27 o 101.1164 41.24696 6.568417       4.828550  0.3422920      3.602760  42.61147       67.56628 
1 1 1 19  6   0  o 129.9838 44.40010 3.920382       4.415302  4.273582       4.190642  -1.891556      73.26176 
1 1 1 19  6   1  o 382.8195 22.45019 31.53248       5.203023  34.97142       5.419311  -19.92792      45.90509 
1 1 1 19  6   2  o 276.2278 27.29488 16.19051       4.489653  19.02360       4.753445  -22.88470      57.01020 
1 1 1 19  6   3  o 314.1732 24.39221 23.37565       4.725173  21.35050       4.707944  15.08871       50.20844 
1 1 1 19  6   4  o 107.0103 41.51774 1.975770       3.883030  1.845183       3.999338  -0.1217117     68.32980 
1 1 1 19  6   5  o 261.2373 27.80878 17.01883       4.424689  14.07488       4.449930  26.97867       58.18945 
1 1 1 19  6   6  o 96.21396 40.19941 1.612682       3.927125  -0.3975825     4.090054  11.92500       66.64713 
1 1 1 19  6   7  o 129.7436 42.82036 3.008061       3.961274  4.639958       4.041255  -15.70731      71.28767 
1 1 1 19  6   8  o 92.00095 39.15274 -1.251695      3.885565  1.759207       3.944079  -21.06999      65.30463 
1 1 1 19  6   9  o 221.8426 32.05967 10.32684       4.231089  12.40710       4.339026  -21.27025      65.66555 
1 1 1 19  6   10 o 322.7016 23.19872 19.72140       4.485841  27.38046       4.751397  -54.47101      47.69317 
1 1 1 19  6   11 o 409.7722 20.07242 41.10377       5.266856  34.12293       4.923828  38.41129       40.60707 
1 1 1 19  6   12 o 137.3554 41.81091 3.468713       3.907277  5.361323       3.855687  -18.53819      70.53075 
1 1 1 19  6   13 o 87.41779 37.73145 -1.201227      3.730191  1.083768       3.732886  -15.27353      63.14886 
1 1 1 19  6   14 o 439.5880 18.41041 44.44436       5.113156  41.64305       4.911222  14.16541       37.18002 
1 1 1 19  6   15 o 289.0545 23.25791 22.95077       4.287485  15.26503       3.997924  61.16908       48.39028 
1 1 1 19  6   16 o 248.0157 24.96879 13.81311       3.887661  14.16673       3.697869  -4.384338      51.98804 
1 1 1 19  6   17 o 509.9303 17.15377 58.62048       5.461299  57.32047       5.376420  5.609558       34.64622 
1 1 1 19  6   18 o 305.5560 21.30275 20.50658       3.948027  21.77945       4.080221  -9.097656      43.65262 
1 1 1 19  6   19 o 290.6758 21.40708 18.17143       3.749045  20.32303       3.922601  -16.40720      44.03517 
1 1 1 19  6   20 o 206.6883 28.70355 10.74787       3.526271  9.503347       3.638330  15.14005       60.12071 
1 1 1 19  6   21 o 237.0442 35.15045 13.98119       3.544224  0.000000       0.000000  ?              ?        
1 1 1 19  6   22 o 95.28328 37.28512 1.250912       3.114410  2.299110       3.291370  -10.22675      60.86974 
1 1 1 19  6   23 o 263.8348 22.16268 13.16313       3.586654  19.35192       3.600778  -56.52354      47.86263 
1 1 1 19  6   24 o 221.5881 25.21731 8.766200       3.377970  14.96284       3.432000  -67.32086      55.12973 
1 1 1 19  6   25 o 110.8589 40.47554 5.648403       4.561695  2.234570       3.092947  30.53811       67.51917 
1 1 1 19  6   26 o 90.94718 39.61655 1.775323       4.548268  0.6353486      3.907129  9.877823       64.02166 
1 1 1 19  6   27 o 199.7671 51.39995 0.000000       0.000000  13.44091       4.529786  ?              ?        
1 1 1 19  6   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  7   0  o 128.8035 50.96768 5.483795       6.458187  1.937818       5.688547  24.36520       82.92554 
1 1 1 19  7   1  o 298.9203 26.07563 19.67814       4.880683  21.35928       4.698062  -14.60706      54.53781 
1 1 1 19  7   2  o 177.3474 38.94988 9.002243       4.267235  6.527417       4.074408  26.14810       72.18007 
1 1 1 19  7   3  o 279.3254 26.56987 18.58777       4.621730  17.14018       4.478487  11.53867       55.27145 
1 1 1 19  7   4  o 268.4863 27.54822 16.14915       4.472710  16.83385       4.575204  -5.533081      57.40515 
1 1 1 19  7   5  o 238.0525 29.96679 13.94691       4.232086  12.05634       4.429302  19.84743       62.69851 
1 1 1 19  7   6  o 509.1379 19.09922 58.02920       5.920677  57.31794       6.127422  3.738617       38.59163 
1 1 1 19  7   7  o 106.1598 41.82906 0.9175875      3.992805  2.491378       4.110704  -13.19693      68.95615 
1 1 1 19  7   8  o 134.6237 43.43048 2.843750       3.973144  5.727239       4.300307  -28.84889      72.46724 
1 1 1 19  7   9  o 107.7410 41.69261 2.870892       3.905836  0.8414698      4.027716  14.76617       68.54633 
1 1 1 19  7   10 o 502.0376 26.34198 56.64749       5.780477  0.000000       0.000000  ?              ?        
1 1 1 19  7   11 o 397.1389 20.36680 34.08680       4.928394  36.26483       5.076230  -12.28918      41.22090 
1 1 1 19  7   12 o 373.9731 20.61996 33.71334       4.820282  28.79946       4.711523  30.11688       41.86800 
1 1 1 19  7   13 o 103.3166 40.31762 2.503190       3.755841  0.8588563      3.709339  13.73717       66.40078 
1 1 1 19  7   14 o 674.9562 17.54353 110.3485       7.630133  93.21755       7.078948  56.91461       35.33890 
1 1 1 19  7   15 o 377.3719 20.18665 36.25648       4.737223  27.53343       4.679955  53.47363       41.33870 
1 1 1 19  7   16 o 321.9347 21.25916 23.88578       4.232459  22.70744       4.211120  8.451965       43.37115 
1 1 1 19  7   17 o 79.66553 35.23988 0.4457075      3.487631  -1.357086      3.382837  13.01185       59.33502 
1 1 1 19  7   18 o 224.5147 27.34906 11.77672       3.673778  11.59900       3.789798  2.681534       57.35431 
1 1 1 19  7   19 o 187.5918 31.19865 10.13186       3.475570  6.609135       3.531157  41.76527       62.36067 
1 1 1 19  7   20 o 161.2394 35.32796 4.426109       3.382092  8.637968       3.491796  -48.69275      64.37435 
1 1 1 19  7   21 f 123.1663 38.70742 3.035026       3.261348  4.773043       3.331240  -18.04770      64.64709 
1 1 1 19  7   22 o 82.79987 35.47942 1.029557       3.275901  -0.1066516     3.232773  8.328247       58.48363 
1 1 1 19  7   23 o 190.2353 29.33182 8.438160       3.371769  9.300612       3.329113  -10.89253      60.87601 
1 1 1 19  7   24 o 87.70394 35.81498 1.821289       3.110023  0.8386024      3.056613  8.013794       58.20393 
1 1 1 19  7   25 o 189.5174 39.90355 13.61980       4.699934  6.872349       4.400043  63.35422       74.18737 
1 1 1 19  7   26 o 129.5719 44.07846 5.014826       4.401461  5.162619       4.087558  -1.416557      71.46381 
1 1 1 19  7   27 o 119.5543 39.53381 4.980974       3.090334  3.060443       3.853901  17.19283       64.14762 
1 1 1 19  7   28 o 77.01679 34.82725 -3.058182      3.770356  2.594005       3.377835  -25.64046      56.56771 
1 1 1 19  8   0  o 93.88821 43.57492 -1.328379      6.155041  -3.034190      6.004426  7.728104       73.26563 
1 1 1 19  8   1  o 295.1262 38.28881 25.78588       7.538038  18.09309       6.312918  50.60538       81.84937 
1 1 1 19  8   2  o 147.0150 43.69590 5.923881       4.389683  4.928135       4.171243  10.01511       74.33499 
1 1 1 19  8   3  o 148.5263 43.24302 4.935389       4.285967  5.952368       4.166020  -9.470230      73.86806 
1 1 1 19  8   4  o 114.6192 42.51414 2.120364       4.100986  3.111180       3.944310  -6.784821      69.82030 
1 1 1 19  8   5  o 240.6861 30.28649 16.41702       4.452905  10.42624       4.391654  58.51410       63.66080 
1 1 1 19  8   6  o 214.5826 33.71799 8.988197       4.231567  12.73103       4.457976  -38.43800      68.07587 
1 1 1 19  8   7  o 561.3515 18.97637 76.42752       6.707482  64.16669       6.494496  49.72955       38.35278 
1 1 1 19  8   8  o 373.4419 21.59504 29.73283       4.916245  32.71483       5.048872  -18.11694      43.85389 
1 1 1 19  8   9  o 96.30798 39.86182 -3.384428      3.801267  5.360303       3.977542  -66.12569      64.77133 
1 1 1 19  8   10 o 143.5920 51.34706 0.000000       0.000000  4.465734       4.093195  ?              ?        
1 1 1 19  8   11 o 141.4032 41.69797 5.445006       3.806344  3.966353       4.015355  13.87117       70.92808 
1 1 1 19  8   12 o 94.87315 39.47018 1.295078       3.785117  0.5263304E-01  3.893205  7.539978       65.46592 
1 1 1 19  8   13 o 256.1974 26.18815 17.95461       4.058585  11.70297       4.149851  58.70949       56.00883 
1 1 1 19  8   14 o 209.7462 31.74563 9.749147       3.915179  10.74254       4.093561  -10.07549      64.76170 
1 1 1 19  8   15 o 471.6080 21.71809 51.44604       5.362838  46.16502       8.153913  36.56018       49.88165 
1 1 1 19  8   16 o 476.8133 17.77602 46.81748       5.071818  55.10547       5.445110  -38.87656      35.91552 
1 1 1 19  8   17 o 513.6022 17.23627 57.49284       5.431434  60.21392       5.537430  -11.87018      34.82158 
1 1 1 19  8   18 o 286.7491 22.37888 17.33519       3.873844  20.13546       4.029074  -22.14813      46.14059 
1 1 1 19  8   19 o 209.4297 28.39858 14.42809       3.700895  6.615128       3.496577  84.79613       58.86330 
1 1 1 19  8   20 o 235.6867 25.67011 13.32720       3.691209  12.57988       3.693648  7.664825       54.18748 
1 1 1 19  8   21 o 160.3368 34.66838 5.630239       3.334567  7.360288       3.360680  -20.48930      64.82233 
1 1 1 19  8   22 o 77.16756 33.90037 -0.9337917E-01 3.109921  0.1140249E-01  3.144052  -1.102333      56.28067 
1 1 1 19  8   23 o 192.8744 29.33809 8.412730       3.376246  9.853358       3.423541  -16.75552      61.03333 
1 1 1 19  8   24 o 110.9494 37.35068 1.203632       3.073381  5.184525       3.009776  -39.03607      60.19517 
1 1 1 19  8   25 o 119.6936 43.86001 7.672246       4.340799  0.8804103      4.177824  49.95716       69.47514 
1 1 1 19  8   26 o 218.0079 32.93639 15.51188       4.440634  9.683295       4.200170  57.74870       69.30622 
1 1 1 19  8   27 o 99.81194 38.34187 4.676946       2.989892  -0.6279899     3.839162  35.02951       59.67224 
1 1 1 19  8   28 o 94.98682 39.39069 3.952027       4.197274  1.013793       3.505824  20.44460       63.07242 
1 1 1 19  9   0  o 86.03569 38.45152 -2.032475      4.146023  1.019191       4.249169  -17.76402      64.34888 
1 1 1 19  9   1  o 237.8123 44.89188 17.54240       6.220946  11.29849       6.551355  56.30632       87.25324 
1 1 1 19  9   2  o 344.7832 33.38154 26.34601       6.923582  30.08657       7.184250  -24.18573      71.08268 
1 1 1 19  9   3  o 123.8925 43.98886 2.439969       4.115598  4.622423       4.379065  -19.80018      72.35086 
1 1 1 19  9   4  o 316.9855 28.44043 21.81224       6.500639  23.84762       4.898973  -25.39658      63.60340 
1 1 1 19  9   5  o 451.1404 20.38689 52.65017       5.829867  39.16781       5.560791  68.20746       41.59129 
1 1 1 19  9   6  o 204.1522 34.76070 13.07296       4.271461  6.679566       4.218036  67.52087       67.95232 
1 1 1 19  9   7  o 281.1909 26.67610 17.83479       4.592394  18.11674       4.602463  -2.331940      55.28831 
1 1 1 19  9   8  o 212.2065 32.90816 12.00648       4.262022  9.068116       4.124763  30.87282       66.68004 
1 1 1 19  9   9  o 264.2545 27.04375 17.31293       4.409819  14.48749       4.332458  25.05659       56.32788 
1 1 1 19  9   10 o 212.2139 33.15789 12.78260       4.235243  8.210837       4.209291  48.43750       66.85675 
1 1 1 19  9   11 o 118.0924 42.15087 4.777888       3.924814  1.088370       3.873743  32.72050       68.94694 
1 1 1 19  9   12 o 372.4875 21.16796 30.67952       4.854087  31.38953       4.888034  -4.315399      42.97126 
1 1 1 19  9   13 o 338.4590 22.38007 22.71810       4.616239  28.86542       4.730646  -41.94821      45.89650 
1 1 1 19  9   14 o 340.7345 22.25788 25.45061       4.700060  26.70728       4.657779  -8.754242      45.41102 
1 1 1 19  9   15 o 478.2352 26.05914 51.80885       5.445765  0.000000       0.000000  ?              ?        
1 1 1 19  9   16 o 286.5574 22.97855 18.70016       4.018391  18.46457       4.083191  2.243683       47.26894 
1 1 1 19  9   17 o 355.8340 19.96680 27.87691       4.339501  29.07697       4.441510  -7.416168      40.63908 
1 1 1 19  9   18 o 70.16598 32.59525 -1.474120      3.328873  -2.112903      3.504293  0.9450836      55.89723 
1 1 1 19  9   19 f 287.7507 22.23032 19.40102       3.898913  18.35955       3.976875  9.035919       45.95996 
1 1 1 19  9   20 o 170.7117 34.39178 7.953754       3.560309  6.493698       3.473150  16.81007       65.83294 
1 1 1 19  9   21 o 201.8772 29.54579 9.193956       3.558824  10.57096       3.622931  -15.30373      61.71082 
1 1 1 19  9   22 o 264.3697 23.31508 15.69089       3.812717  16.90800       3.756689  -11.61736      49.11038 
1 1 1 19  9   23 o 239.0257 23.95893 11.89694       3.519106  15.06971       3.490292  -32.64532      51.49166 
1 1 1 19  9   24 o 82.43350 34.85608 1.425446       3.222966  0.3151378      2.934936  10.70824       57.06895 
1 1 1 19  9   25 o 109.0942 42.73804 6.643407       4.345912  0.7428616E-01  4.081375  45.14841       68.01595 
1 1 1 19  9   26 o 199.7686 36.67666 13.93005       4.517354  8.204269       4.249985  55.66478       72.47354 
1 1 1 19  9   27 o 81.42570 35.50612 -1.269504      2.933629  4.861409       4.100730  -45.15275      60.18786 
1 1 1 19  9   28 o 100.5333 44.57011 0.000000       0.000000  2.399928       3.905536  ?              ?        
1 1 1 19  10  0  o 215.3755 50.33963 10.92498       6.391660  14.53927       6.839173  -27.10107      92.25540 
1 1 1 19  10  1  o 276.5481 28.41905 20.78051       4.920361  15.38260       4.699152  45.27687       60.59341 
1 1 1 19  10  2  o 126.2391 50.73831 4.013184       5.910070  2.130359       6.256845  8.572617       82.09152 
1 1 1 19  10  3  o 212.8084 49.18600 10.73715       6.155427  12.98990       6.592858  -17.47859      90.48329 
1 1 1 19  10  4  f 201.6333 49.51793 0.000000       0.000000  10.48003       4.347050  ?              ?        
1 1 1 19  10  5  o 111.1411 42.50512 -0.1521444     3.922834  5.236235       4.275033  -45.35772      69.30764 
1 1 1 19  10  6  o 382.3715 21.51760 28.85342       4.833778  37.83443       5.375774  -52.25391      43.82837 
1 1 1 19  10  7  o 166.1100 40.30470 7.142680       3.997143  6.248011       4.233588  9.328445       72.57090 
1 1 1 19  10  8  o 162.1167 40.90840 6.180073       3.987441  6.631392       4.251847  -5.066803      72.89965 
1 1 1 19  10  9  f 299.5216 24.95700 19.42079       4.489313  21.25698       4.708300  -13.48282      51.36515 
1 1 1 19  10  10 o 248.7213 28.72046 11.70991       4.122630  17.26813       4.619428  -50.27199      59.91457 
1 1 1 19  10  11 o 278.4830 30.85297 18.31857       6.038166  17.54470       4.693352  -0.6174622     66.51821 
1 1 1 19  10  12 o 194.5652 34.95198 8.212863       4.017720  9.692253       4.110699  -16.07539      68.68633 
1 1 1 19  10  13 o 246.2643 28.39116 13.04542       4.158713  14.85952       4.364368  -16.44287      59.24236 
1 1 1 19  10  14 o 352.7824 25.84060 25.85847       7.032833  29.34532       4.811155  -34.66840      60.07894 
1 1 1 19  10  15 o 155.4492 49.35415 5.967770       3.779920  0.000000       0.000000  ?              ?        
1 1 1 19  10  16 o 121.0353 41.04237 1.214210       3.670558  5.522593       3.673606  -40.22945      66.85481 
1 1 1 19  10  17 o 179.6945 35.19166 5.050514       3.677978  10.89356       3.896105  -64.81667      65.74751 
1 1 1 19  10  18 o 198.7252 32.36184 10.18529       3.871098  8.706611       3.833584  16.48323       65.56522 
1 1 1 19  10  19 o 83.98813 36.40089 1.137185       3.462979  -0.9536057     3.541700  12.85179       60.42159 
1 1 1 19  10  20 o 86.39359 36.73199 0.7557756      3.366601  0.3571318      3.518023  1.100746       60.55524 
1 1 1 19  10  21 o 192.6151 32.71792 10.31756       3.859526  8.197794       3.685566  22.73050       66.19750 
1 1 1 19  10  22 o 124.7592 42.49037 4.981493       4.853371  3.651364       3.397581  15.12199       71.21808 
1 1 1 19  10  23 o 104.0247 38.25434 1.279923       3.145987  4.108001       3.349482  -26.15854      62.12135 
1 1 1 19  10  24 o 96.69459 36.98612 0.3454084      3.080696  4.008690       3.110210  -31.35932      59.45088 
1 1 1 19  10  25 o 188.3047 28.70949 9.636517       3.333642  8.357881       3.167928  13.29555       60.43362 
1 1 1 19  10  26 o 128.9986 44.54951 5.018042       4.401284  5.289953       4.263960  -2.194160      71.78620 
1 1 1 19  10  27 o 116.0554 40.19641 5.131024       3.082077  2.225892       4.244621  22.61399       63.84513 
1 1 1 19  10  28 o 190.7640 36.76699 7.410240       4.312276  13.29500       4.083233  -63.65631      70.31554 
1 1 1 19  11  0  o 270.4897 38.25273 14.88928       5.407510  25.27949       7.630783  -62.92032      82.44421 
1 1 1 19  11  1  o 292.0862 42.02643 15.45462       6.952121  29.55407       7.936789  -101.5413      87.91759 
1 1 1 19  11  2  o 280.7195 29.18516 15.17799       4.860996  22.40210       5.169404  -59.50699      62.55562 
1 1 1 19  11  3  o 105.2922 45.64606 -0.6791480     5.542276  1.941056       5.476706  -12.73981      75.00208 
1 1 1 19  11  4  o 217.7329 47.46146 7.407837       6.110188  17.39151       6.355041  -83.97655      85.55870 
1 1 1 19  11  5  f 115.1492 42.52131 3.933778       4.026443  1.636836       4.001185  18.96022       69.58502 
1 1 1 19  11  6  o 123.6876 42.56304 -0.6407120     3.828858  8.237743       4.088107  -80.30632      66.62995 
1 1 1 19  11  7  o 167.4939 40.80217 6.206286       4.111783  7.657158       4.293314  -15.14822      73.40627 
1 1 1 19  11  8  o 202.9187 35.17750 9.602823       4.196919  9.969481       4.341887  -3.350555      70.05688 
1 1 1 19  11  9  o 361.3776 21.85230 32.23944       4.917365  26.57273       4.835154  36.21234       44.70180 
1 1 1 19  11  10 o 115.3926 42.29095 1.988104       3.831650  3.536182       4.097947  -15.23486      69.65193 
1 1 1 19  11  11 o 343.0348 22.67681 24.71397       4.648732  28.52462       4.963443  -24.64532      46.30107 
1 1 1 19  11  12 o 724.8350 18.42358 121.9699       8.332405  112.2238       8.222848  30.63385       37.18875 
1 1 1 19  11  13 f 171.9001 38.54125 4.232474       3.855912  10.59884       4.179745  -68.06079      68.63570 
1 1 1 19  11  14 o 282.3842 36.98410 0.000000       0.000000  18.89077       4.470969  ?              ?        
1 1 1 19  11  15 o 383.1971 23.37776 30.96732       4.650897  38.69526       7.225051  -33.98026      50.89165 
1 1 1 19  11  16 o 363.5256 20.64517 31.42634       4.639168  28.12010       4.633634  21.16190       42.15425 
1 1 1 19  11  17 o 179.9554 34.83149 7.345939       3.694375  8.378008       3.803375  -11.43762      67.39885 
1 1 1 19  11  18 o 109.9290 40.11934 4.778512       3.602375  0.5833613      3.512115  37.52604       65.07301 
1 1 1 19  11  19 o 179.6872 33.78915 6.424867       3.489731  9.635497       3.784244  -35.74319      65.63049 
1 1 1 19  11  20 o 86.89202 36.71773 2.321258       3.321735  -1.073417      3.488028  21.94827       60.13231 
1 1 1 19  11  21 o 87.74112 36.93031 2.111420       3.334918  -0.4872845     3.510856  16.29436       60.30062 
1 1 1 19  11  22 o 299.7943 22.08299 21.63740       4.114764  20.15141       4.042050  11.14365       46.04380 
1 1 1 19  11  23 o 102.0949 38.44646 4.815173       3.272005  -0.2222638E-01 3.355810  40.06104       61.33223 
1 1 1 19  11  24 o 101.4947 37.48977 3.549991       3.221160  1.718118       3.028624  17.10892       60.79303 
1 1 1 19  11  25 f 164.6502 33.76784 6.536468       3.447678  7.907092       3.229192  -18.59972      64.83103 
1 1 1 19  11  26 o 81.64976 37.24307 0.7109688      4.414777  -0.8872647     3.976603  10.45311       60.93410 
1 1 1 19  11  27 o 69.86193 33.03572 -4.502495      3.816643  1.572591       3.746512  -24.35263      55.29160 
1 1 1 19  11  28 o 118.9081 42.71967 2.185780       4.015494  7.267144       4.008323  -36.80366      67.08908 
1 1 1 19  12  0  o 97.27473 40.81778 -0.5516335     4.168127  2.981600       4.146612  -22.09576      66.53774 
1 1 1 19  12  1  o 82.03262 37.12783 -3.293645      3.950235  1.917843       4.166476  -30.24096      62.66985 
1 1 1 19  12  2  o 101.0988 45.14218 1.246329       5.824719  -1.724535      5.717075  14.22827       74.69399 
1 1 1 19  12  3  o 224.5074 33.93319 13.11537       4.623462  11.37924       4.534707  17.14392       70.42207 
1 1 1 19  12  4  o 135.8749 51.79871 3.297108       6.231803  5.276738       5.897902  -10.51604      83.71563 
1 1 1 19  12  5  o 285.1941 39.38691 20.78568       6.960768  19.09398       6.616663  11.04922       83.65534 
1 1 1 19  12  6  o 106.3192 41.62921 4.678070       4.079123  -0.5075071     3.906822  41.09451       67.73438 
1 1 1 19  12  7  o 456.6491 20.08426 46.04844       5.594362  47.69806       5.759919  -7.708740      40.78710 
1 1 1 19  12  8  o 145.5536 51.01839 0.000000       0.000000  5.067156       4.024092  ?              ?        
1 1 1 19  12  9  o 467.2552 19.70608 51.65106       5.816932  46.39677       5.587861  25.17294       39.95348 
1 1 1 19  12  10 o 318.6250 23.04885 23.20460       4.434874  22.70816       4.620438  4.516235       47.34600 
1 1 1 19  12  11 o 187.3871 36.34143 7.644458       3.994797  9.288889       4.153549  -17.65210      70.07737 
1 1 1 19  12  12 o 585.0967 18.89963 82.83593       7.026706  70.76218       6.687057  46.43433       38.23682 
1 1 1 19  12  13 o 382.6409 20.66905 33.24450       4.907537  32.57428       4.868291  3.913910       42.04763 
1 1 1 19  12  14 o 331.1505 32.11368 0.000000       0.000000  25.58392       4.606136  ?              ?        
1 1 1 19  12  15 o 348.0308 21.68270 32.38872       4.733993  22.68044       4.585251  64.58899       44.97194 
1 1 1 19  12  16 o 231.3556 28.63523 14.28081       4.007634  10.67826       4.036381  37.38036       60.49776 
1 1 1 19  12  17 o 309.8036 22.84000 19.25112       4.240985  24.86140       4.486303  -41.17648      47.29028 
1 1 1 19  12  18 f 300.2205 22.51325 22.85026       4.282475  18.61781       4.051474  31.76221       46.59745 
1 1 1 19  12  19 o 125.3287 47.46116 0.000000       0.000000  3.674800       3.581608  ?              ?        
1 1 1 19  12  20 o 167.3823 35.43806 6.759655       3.485891  7.515878       3.649279  -7.846497      67.11768 
1 1 1 19  12  21 o 66.48920 31.44622 0.6273308      3.477179  -4.750807      3.382273  27.17249       54.56527 
1 1 1 19  12  22 o 263.1141 24.31152 18.63915       3.967097  14.14524       3.880640  40.52061       52.11829 
1 1 1 19  12  23 o 154.9237 48.37795 0.000000       0.000000  7.277446       3.646262  ?              ?        
1 1 1 19  12  24 o 116.9826 39.11632 3.053228       3.308932  4.590211       3.363513  -14.42903      64.08769 
1 1 1 19  12  25 o 150.3622 36.63219 6.894234       3.390577  5.796056       3.379122  12.13483       66.15173 
1 1 1 19  12  26 o 105.3807 38.29756 0.1284190      3.303851  5.856608       3.171973  -48.24929      60.05547 
1 1 1 19  12  27 o 77.32159 35.98172 1.957538       4.418410  -2.522468      3.989281  21.04557       59.14505 
1 1 1 19  12  28 o 87.80766 37.59650 1.161550       3.263129  2.557563       4.214677  -11.73495      60.14602 
1 1 1 19  13  0  o 98.62205 41.60196 0.9184399      4.411604  1.703527       4.299972  -3.846474      67.64581 
1 1 1 19  13  1  o 154.9938 44.65720 8.584300       4.625242  4.635977       4.435066  35.59671       75.68068 
1 1 1 19  13  2  o 174.8837 41.80812 4.077020       4.388322  12.24859       4.564651  -78.97350      72.09369 
1 1 1 19  13  3  o 151.6416 53.90039 7.065571       6.152602  5.157346       6.610747  11.06355       87.38754 
1 1 1 19  13  4  o 162.1315 53.09797 11.34780       6.091394  2.899150       6.223111  58.97539       85.57846 
1 1 1 19  13  5  o 187.1494 51.89331 8.338771       6.099679  11.06592       6.377924  -20.83305      89.63166 
1 1 1 19  13  6  o 169.1364 51.34116 4.312752       5.608165  11.71138       6.143979  -57.66008      85.33129 
1 1 1 19  13  7  o 126.2939 42.87684 2.665800       3.904526  5.073083       4.119692  -22.52834      70.77096 
1 1 1 19  13  8  o 361.1262 22.72401 26.45849       4.908391  33.16691       5.236936  -41.73322      46.64835 
1 1 1 19  13  9  o 117.7090 41.98583 3.549195       3.800495  2.569633       3.939050  7.474464       69.01857 
1 1 1 19  13  10 o 202.1937 34.29680 16.69156       4.335479  3.939024       3.983111  128.7053       63.43927 
1 1 1 19  13  11 o 230.9685 29.61025 9.348464       4.006679  16.01354       4.298563  -66.02968      62.03022 
1 1 1 19  13  12 o 147.1862 41.81072 3.643697       3.949584  7.216224       4.043747  -35.98705      71.08636 
1 1 1 19  13  13 o 239.0255 29.04704 12.50048       4.154941  14.16858       4.285218  -15.78143      61.02737 
1 1 1 19  13  14 o 170.8840 44.19160 8.741522       5.856982  6.781147       4.060264  17.33092       80.06767 
1 1 1 19  13  15 o 142.4136 41.73077 2.117990       3.805097  8.450123       4.053296  -62.99040      68.72169 
1 1 1 19  13  16 o 124.9239 41.62361 5.230264       3.788649  2.344712       3.767045  26.81387       68.54705 
1 1 1 19  13  17 o 146.6786 40.63691 6.449592       3.789671  4.468836       3.860758  20.32060       70.06211 
1 1 1 19  13  18 o 115.1262 41.41732 4.555389       3.743552  1.582619       3.802097  24.94513       67.38465 
1 1 1 19  13  19 o 85.03072 36.97239 0.1108866      3.464954  0.4083607      3.836734  -5.750595      61.19088 
1 1 1 19  13  20 o 86.59754 37.18889 1.703964       3.444763  -0.7267640     3.755306  12.50342       60.87186 
1 1 1 19  13  21 o 121.3900 40.78803 6.527462       3.592546  1.115596       3.661761  48.67321       65.36116 
1 1 1 19  13  22 o 144.6357 39.77307 5.297713       3.657007  6.101357       3.701734  -8.177765      68.96138 
1 1 1 19  13  23 o 120.4355 46.68945 0.000000       0.000000  4.032164       3.521101  ?              ?        
1 1 1 19  13  24 f 94.49069 38.54357 0.7453988      3.590904  3.019859       3.541196  -15.32703      61.82193 
1 1 1 19  13  25 o 160.5424 37.82792 5.745559       3.857487  8.756544       3.569186  -34.40395      68.13623 
1 1 1 19  13  26 o 114.5079 39.70714 2.920081       3.506348  4.848098       3.381268  -16.48141      63.93476 
1 1 1 19  13  27 o 70.00793 32.55267 -1.599206      3.468634  0.2143718      3.367261  -7.505508      53.40491 
1 1 1 19  13  28 o 78.19054 35.95479 2.629310       4.171393  -1.950982      3.850025  21.49409       58.29441 
1 1 1 19  14  0  o 105.2945 43.40152 4.803752       4.810792  -0.3870254     4.382358  34.74942       70.59675 
1 1 1 19  14  1  o 125.3409 45.92365 7.275891       4.850566  1.349784       4.502377  44.16359       73.94019 
1 1 1 19  14  2  f 125.3301 45.40031 -0.3662430     4.539527  8.371448       4.545596  -65.40583      71.48190 
1 1 1 19  14  3  o 277.2976 43.42808 0.000000       0.000000  20.01107       5.108987  ?              ?        
1 1 1 19  14  4  o 130.9626 50.84105 3.950050       5.511789  4.019792       6.411201  -4.348907      82.28275 
1 1 1 19  14  5  o 136.4276 51.97885 6.330058       5.880929  2.367184       6.340806  21.78004       83.56331 
1 1 1 19  14  6  o 109.7847 47.64491 3.104357       6.022670  -1.181756      6.008302  20.43117       77.89018 
1 1 1 19  14  7  o 211.9743 50.63686 12.28875       6.443093  12.04627       6.697934  3.178268       92.22710 
1 1 1 19  14  8  o 144.3830 44.25483 3.390563       4.181701  7.593527       4.514244  -39.10732      73.96974 
1 1 1 19  14  9  o 97.22570 40.51250 -1.475717      3.920231  3.869611       4.199343  -39.02816      66.72694 
1 1 1 19  14  10 o 98.61551 40.57209 2.254774       3.949710  0.1164731      4.039436  13.90308       66.58629 
1 1 1 19  14  11 o 202.6825 35.32470 7.761829       4.119928  12.50157       4.460195  -48.72893      69.76086 
1 1 1 19  14  12 o 120.4089 43.75234 2.957592       4.150344  3.544894       4.299837  -5.693520      71.74281 
1 1 1 19  14  13 o 309.8505 24.99913 22.09576       4.726178  21.99622       4.803236  1.262329       51.88132 
1 1 1 19  14  14 o 210.5059 34.62380 9.654133       4.395866  11.74887       4.333137  -22.67960      70.19640 
1 1 1 19  14  15 o 137.8088 42.87310 2.712966       4.057353  6.887682       4.050463  -38.86416      70.92487 
1 1 1 19  14  16 o 133.9326 42.55780 3.671959       3.941045  5.445001       4.007888  -16.70717      70.99849 
1 1 1 19  14  17 o 119.7995 42.60900 3.406545       3.986754  3.490785       3.974989  -0.6419754     69.79510 
1 1 1 19  14  18 o 124.9281 43.25652 7.571323       4.134768  0.5562363      4.035667  59.16959       68.90804 
1 1 1 19  14  19 o 95.70088 39.62277 -0.3136423     3.715283  3.366370       3.981673  -27.07951      64.68182 
1 1 1 19  14  20 o 122.2268 43.87648 4.527185       4.104321  3.229138       4.370548  9.160217       71.14052 
1 1 1 19  14  21 o 202.5174 34.48498 13.32395       4.256952  7.774081       4.101582  58.03271       68.99311 
1 1 1 19  14  22 o 103.0080 40.48210 3.825746       3.847390  1.119514       3.725916  20.31151       65.21045 
1 1 1 19  14  23 o 81.84026 36.52621 -3.329420      3.788698  3.518538       3.757874  -37.42390      60.10146 
1 1 1 19  14  24 o 152.6402 41.25488 7.219180       4.087775  6.636681       3.914884  4.409622       71.74663 
1 1 1 19  14  25 o 79.24244 35.67217 0.2615498      3.736042  0.9701594E-01  3.634416  1.610916       57.93210 
1 1 1 19  14  26 o 109.9775 40.45167 1.301123       3.637057  6.058959       3.616050  -36.45525      63.81697 
1 1 1 19  14  27 o 94.43269 38.16498 1.403374       3.561489  3.421633       3.364116  -12.83454      60.07847 
1 1 1 19  14  28 o 102.7855 40.06959 5.519917       4.579552  2.494440       3.166778  18.65324       64.10022 
1 1 1 19  15  0  o 88.95171 39.83557 0.7622692      4.540320  -0.8320867     4.517307  7.990707       65.41745 
1 1 1 19  15  1  f 89.01409 40.05219 1.525796       4.641064  -2.199672      4.635493  18.09377       66.24239 
1 1 1 19  15  2  o 105.5861 43.54033 2.079928       4.596676  1.962463       4.630700  0.4934616      70.37054 
1 1 1 19  15  3  o 128.5350 45.86308 5.057705       4.602728  3.594929       4.628713  10.90124       74.50996 
1 1 1 19  15  4  o 173.2772 43.08087 8.929504       4.614011  7.098046       4.607867  17.65343       77.09966 
1 1 1 19  15  5  o 102.3756 46.20497 -6.008634      5.777786  7.270976       6.800297  -64.70878      78.62769 
1 1 1 19  15  6  f 122.0662 50.26283 7.047541       5.810510  -2.717112      6.524009  46.45796       80.10189 
1 1 1 19  15  7  o 95.45441 41.35398 -3.086900      4.299385  4.861038       4.768617  -50.61185      68.80396 
1 1 1 19  15  8  o 140.2451 54.22089 5.185991       6.837725  4.662343       6.574018  3.751404       87.12206 
1 1 1 19  15  9  o 208.1569 39.13856 7.874995       4.711964  14.43508       5.041229  -62.90184      75.42536 
1 1 1 19  15  10 o 112.0145 43.53310 2.111112       4.228634  2.982715       4.454902  -7.832558      70.97112 
1 1 1 19  15  11 o 100.0282 41.71410 3.594993       4.157619  -1.566008      4.461790  30.04010       67.88666 
1 1 1 19  15  12 o 132.7836 45.75191 5.951687       4.605136  2.877423       4.529766  25.05351       74.91901 
1 1 1 19  15  13 o 136.4159 45.13696 3.361119       4.346690  6.230943       4.548927  -25.00130      74.53679 
1 1 1 19  15  14 o 117.8895 44.42212 3.841113       4.404024  2.299746       4.445447  11.12869       72.28991 
1 1 1 19  15  15 o 149.2178 44.07858 5.798965       4.394661  5.914767       4.330734  -1.021652      74.94967 
1 1 1 19  15  16 o 101.3853 41.79205 0.6662423E-01  4.284586  2.991270       4.213047  -18.39891      68.02509 
1 1 1 19  15  17 o 265.6421 29.37622 16.28121       4.739597  17.65541       4.780522  -12.20494      63.18576 
1 1 1 19  15  18 o 154.9768 43.10489 6.839056       4.300729  6.310504       4.287566  4.976700       74.48192 
1 1 1 19  15  19 o 83.90604 37.74578 0.6156828      4.059586  -1.427032      4.176918  9.432541       62.46663 
1 1 1 19  15  20 o 83.66081 37.63434 -4.117681      4.004094  3.788023       4.186771  -44.08646      63.00097 
1 1 1 19  15  21 o 205.5054 35.14969 6.349938       4.159204  16.28551       4.500842  -98.43861      67.91319 
1 1 1 19  15  22 o 86.75112 37.85633 1.852801       3.858108  -0.4895554     3.825717  13.66015       61.60412 
1 1 1 19  15  23 o 91.00720 39.59950 0.5736666      4.097603  1.711254       4.263603  -7.098289      63.75872 
1 1 1 19  15  24 o 91.15414 38.82004 2.521700       3.823371  0.6347211      3.883410  10.62984       61.96082 
1 1 1 19  15  25 o 63.56234 30.74629 -1.429614      3.675185  -4.048949      3.732067  8.920425       52.17780 
1 1 1 19  15  26 o 70.14640 32.79196 -1.106781      3.552128  -0.5122818     3.532577  -2.442589      53.77910 
1 1 1 19  15  27 o 81.95556 36.28231 0.9796092E-02  3.669706  2.036396       3.625488  -10.21512      57.70351 
1 1 1 19  15  28 o 124.2564 41.83678 4.726796       3.926479  6.218971       3.713352  -12.59722      66.42978 
1 1 1 19  16  0  o 88.24589 39.72764 1.556085       4.528216  -1.955787      4.613534  16.07755       65.30504 
1 1 1 19  16  1  o 102.5568 42.96405 2.383416       4.693331  1.352188       4.501683  7.080193       69.30070 
1 1 1 19  16  2  f 186.0343 42.24945 13.84318       4.869954  5.250067       4.664801  80.11578       74.54272 
1 1 1 19  16  3  o 132.5234 45.92324 3.030216       4.427020  6.966029       4.803670  -30.96765      74.73881 
1 1 1 19  16  4  o 71.13264 34.20615 -5.238932      4.463637  -1.849217      4.385287  -11.61436      58.96379 
1 1 1 19  16  5  o 91.23568 39.90847 1.848671       4.241023  -1.234522      4.344532  16.21925       65.57629 
1 1 1 19  16  6  o 122.8402 44.76390 5.066575       4.472108  2.482423       4.379495  19.99074       72.66377 
1 1 1 19  16  7  o 124.1674 50.16338 5.841362       5.648475  -0.5021136E-01 6.359663  28.23124       80.16985 
1 1 1 19  16  8  f 88.10916 40.58590 -0.6827235E-01 4.421534  -4.607339      6.340927  0.5928345      68.27925 
1 1 1 19  16  9  o 112.5035 48.75326 -1.980740      6.360399  4.420167       6.202160  -28.36017      79.19198 
1 1 1 19  16  10 o 161.2345 55.16468 7.235666       6.858800  7.746100       6.433863  -3.052933      89.74443 
1 1 1 19  16  11 o 178.2563 42.23718 11.88487       4.470635  4.422668       4.737783  71.91902       73.20380 
1 1 1 19  16  12 o 95.60090 40.94850 6.173808       4.382883  -4.334012      4.281967  65.06219       66.67466 
1 1 1 19  16  13 o 84.31515 38.50374 -4.550633      4.427453  2.566522       4.540865  -35.80784      65.00665 
1 1 1 19  16  14 o 99.46802 42.38008 2.208563       4.535964  -0.8332761E-01 4.658111  12.14642       69.11774 
1 1 1 19  16  15 o 129.1023 46.02127 0.9149108      4.484674  8.350640       4.827140  -57.37271      73.76157 
1 1 1 19  16  16 o 122.6137 45.95558 6.750603       4.610387  0.5152950      4.841403  42.20789       73.14732 
1 1 1 19  16  17 o 180.2773 42.30735 9.406552       4.523402  8.110612       4.786546  14.15929       77.37392 
1 1 1 19  16  18 o 104.9099 42.88506 2.568624       4.321354  1.579908       4.538355  4.819839       69.24657 
1 1 1 19  16  19 o 106.9627 42.41334 1.318794       4.076015  3.832478       4.311076  -18.48195      68.51181 
1 1 1 19  16  20 o 104.3834 41.98832 -0.3704658     4.062808  5.365638       4.274693  -39.52282      67.52118 
1 1 1 19  16  21 o 218.5879 33.32042 13.53904       4.371365  11.13107       4.379467  25.69844       70.54613 
1 1 1 19  16  22 o 88.15375 38.36930 -0.4930538     3.848060  2.426993       4.006794  -17.51622      62.19347 
1 1 1 19  16  23 o 98.38826 40.10921 3.657641       3.883149  1.072555       3.834396  16.79919       63.84007 
1 1 1 19  16  24 o 179.2308 37.10994 5.010083       3.842896  14.07907       4.155307  -88.97015      66.89211 
1 1 1 19  16  25 o 363.5702 21.83828 33.37047       4.910562  30.78763       4.894451  17.04181       46.64553 
1 1 1 19  16  26 o 93.90438 40.07721 0.9859714      4.138897  3.750304       4.105755  -14.23832      62.59300 
1 1 1 19  16  27 o 101.2371 41.33886 3.608680       4.123173  3.195578       4.091011  2.330215       63.92548 
1 1 1 19  16  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  17  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  17  1  o 141.1368 46.20691 8.767572       4.752022  3.061510       4.577198  45.10133       74.95042 
1 1 1 19  17  2  o 121.4432 45.71323 1.742608       4.630257  6.316213       4.737180  -31.42223      73.10044 
1 1 1 19  17  3  o 123.2482 45.78214 2.081540       4.476053  6.312149       4.880949  -31.02448      73.86085 
1 1 1 19  17  4  o 86.81305 39.28990 -0.4988212     4.495263  -0.4347356     4.584884  -1.076324      64.88735 
1 1 1 19  17  5  o 87.38309 39.76986 0.4099917      4.655499  -1.777387      4.810988  8.595284       65.72941 
1 1 1 19  17  6  o 127.0795 48.54570 5.201671       4.578818  2.052515       6.629127  11.03673       77.87922 
1 1 1 19  17  7  o 269.2435 36.36810 21.04755       5.183100  13.15978       7.095221  89.21846       80.40368 
1 1 1 19  17  8  o 133.0109 57.32868 3.580848       6.074403  0.000000       0.000000  ?              ?        
1 1 1 19  17  9  o 140.4211 58.22931 4.830449       5.879375  0.000000       0.000000  ?              ?        
1 1 1 19  17  10 o 108.2315 48.21689 1.523091       6.516949  -0.6716243     6.571237  8.597595       78.61343 
1 1 1 19  17  11 o 119.4389 50.35350 9.354339       6.625780  -3.443959      6.148036  65.76064       81.51893 
1 1 1 19  17  12 o 73.07327 35.24903 -1.924593      4.021253  -9.252977      6.261482  0.5812836E-01  61.07775 
1 1 1 19  17  13 o 123.0557 45.10711 1.328645       4.498811  6.297764       4.507368  -36.86513      72.53208 
1 1 1 19  17  14 o 106.5485 43.62984 3.792027       4.484925  0.1709425      4.704420  20.86243       70.39740 
1 1 1 19  17  15 o 80.39484 37.53333 -1.333058      4.519975  -2.497107      4.717852  2.957596       63.14228 
1 1 1 19  17  16 f 81.45100 38.41048 -3.648194      4.212667  0.5993951      6.717711  -36.39388      68.53292 
1 1 1 19  17  17 o 101.9802 42.28913 4.790903       4.261920  -1.574567      4.520636  37.18156       67.87169 
1 1 1 19  17  18 o 67.42074 32.62180 -3.761740      4.071270  -3.535424      4.289726  -3.202515      56.29910 
1 1 1 19  17  19 o 98.29850 41.01399 -0.3314398     3.997117  4.123191       4.348301  -29.84738      66.51775 
1 1 1 19  17  20 o 81.03928 36.97329 -3.976258      4.003138  3.401592       4.250684  -38.41335      61.93608 
1 1 1 19  17  21 o 168.7850 41.87083 8.926373       4.278932  7.602714       4.451535  14.11925       74.99734 
1 1 1 19  17  22 o 91.35451 40.21602 1.145689       4.347574  1.108732       4.499247  -0.6502304     64.38160 
1 1 1 19  17  23 o 85.19054 38.67102 -2.555671      4.281125  3.825739       4.612220  -30.15333      63.02556 
1 1 1 19  17  24 o 74.90614 35.55845 2.405666       4.652971  -4.884221      4.294175  29.03384       59.70693 
1 1 1 19  17  25 o 81.54922 37.78643 1.373170       4.519204  -1.204702      4.566208  9.465034       60.42351 
1 1 1 19  17  26 o 91.69371 40.23475 1.230376       4.362637  3.045739       4.423737  -8.379761      62.63352 
1 1 1 19  17  27 f 95.76674 41.04058 2.944413       4.340866  3.061980       4.369588  -0.5782166     62.93724 
1 1 1 19  18  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  18  2  o 97.12995 41.74599 -2.029532      4.434235  4.970154       4.633730  -39.94006      67.77217 
1 1 1 19  18  3  o 110.8618 44.07922 -1.659589      4.426249  8.033278       4.654027  -64.14436      69.87131 
1 1 1 19  18  4  o 78.78745 36.73738 -0.3711258     4.393679  -2.736854      4.406349  9.936523       61.47327 
1 1 1 19  18  5  o 81.04240 37.46708 0.7950929E-01  4.408007  -2.651166      4.450079  11.72362       62.56840 
1 1 1 19  18  6  o 93.06559 40.60645 -3.531210      4.429476  4.929251       4.408621  -46.21928      66.26189 
1 1 1 19  18  7  o 84.63917 38.56905 -2.906138      4.454719  1.561229       4.480337  -21.20474      64.07597 
1 1 1 19  18  8  o 150.6720 44.99575 9.015991       4.541465  3.824427       4.510872  45.11217       74.61751 
1 1 1 19  18  9  o 85.29601 38.53696 -3.200938      4.379158  2.147552       4.311515  -25.97730      63.97291 
1 1 1 19  18  10 o 103.4250 46.12749 1.751316       6.074442  -0.6544509     5.940906  10.88270       75.02202 
1 1 1 19  18  11 o 85.03921 40.48584 0.4185587      5.876365  -6.891487      5.863041  24.14650       68.74304 
1 1 1 19  18  12 o 96.09233 43.90793 -2.495450      5.798368  1.161409       5.884743  -15.03281      72.35304 
1 1 1 19  18  13 o 131.0070 51.79644 7.837441       6.576474  1.754554       5.933127  34.60020       82.92574 
1 1 1 19  18  14 o 105.2304 42.89756 2.391818       4.341698  1.863981       4.489104  2.408348       69.29168 
1 1 1 19  18  15 f 132.9271 45.36273 3.054629       4.502393  6.736532       4.471346  -28.94656      73.59261 
1 1 1 19  18  16 o 86.14334 39.87639 -2.538244      4.229249  1.905154       6.621398  -34.99965      69.56170 
1 1 1 19  18  17 o 172.4826 44.05775 9.656323       4.793010  7.360123       4.669971  20.36591       78.07729 
1 1 1 19  18  18 o 120.2383 45.57364 6.104748       4.665724  1.903902       4.679776  27.87049       72.56177 
1 1 1 19  18  19 o 129.8494 49.52618 6.097141       4.591113  2.930250       7.510831  12.87914       78.10421 
1 1 1 19  18  20 f 87.58548 39.81056 -1.497019      4.604744  1.770156       4.848584  -15.68477      64.83706 
1 1 1 19  18  21 o 79.39424 37.39774 -0.2397131E-01 4.695825  -2.773841      4.826841  8.993301       61.45484 
1 1 1 19  18  22 o 98.83807 43.03431 2.845004       4.944210  1.527863       4.937790  5.987732       67.62442 
1 1 1 19  18  23 o 174.4302 48.03180 11.03450       5.185272  9.696363       5.557201  13.97855       81.60661 
1 1 1 19  18  24 o 112.0413 45.92344 5.045787       4.937458  3.586407       5.262666  7.110306       70.55106 
1 1 1 19  18  25 o 75.96507 36.34145 -1.641646      4.809221  -0.6812419     4.894224  -3.277817      58.45773 
1 1 1 19  18  26 o 97.17522 42.21257 7.189437       4.800286  -0.8245140     4.664967  35.38918       65.41601 
1 1 1 19  18  27 o 96.29697 42.23363 5.620983       5.214148  1.595743       4.527731  16.07951       64.48384 
1 1 1 19  19  3  o 110.0707 45.74540 1.335373       5.044617  4.303943       5.257552  -16.62080      72.90320 
1 1 1 19  19  4  o 117.6301 46.33964 1.545241       5.038614  5.645713       4.904629  -24.28976      73.58054 
1 1 1 19  19  5  o 92.43937 41.30442 1.813298       4.913443  -0.9389184     4.769122  13.70831       67.21862 
1 1 1 19  19  6  o 146.9293 48.91158 9.465230       5.344140  3.826263       5.098110  40.73141       79.18617 
1 1 1 19  19  7  o 105.3200 44.28648 2.770476       4.948033  1.336709       4.872732  8.205513       71.14693 
1 1 1 19  19  8  o 156.6170 48.15774 7.169481       5.076732  7.631400       5.189773  -3.277191      80.21941 
1 1 1 19  19  9  f 118.4057 46.03108 1.067189       4.819063  6.341981       4.882661  -33.62915      73.32716 
1 1 1 19  19  10 o 105.0848 43.86646 -0.8729236     4.695518  5.268631       4.835548  -35.80576      70.56355 
1 1 1 19  19  11 o 87.67671 41.72146 1.670567       6.181802  -7.492954      6.255409  27.88364       70.14415 
1 1 1 19  19  12 o 80.27576 38.79471 -2.516772      5.981036  -5.726481      5.749288  11.08559       65.81543 
1 1 1 19  19  13 o 163.0541 48.67936 7.384858       5.084008  8.740167       5.541688  -8.959305      81.93011 
1 1 1 19  19  14 o 125.9773 56.25689 4.009016       8.977048  2.865554       8.950797  3.466339       87.75023 
1 1 1 19  19  15 o 85.40251 41.14140 -8.523509      8.768693  -1.980969      5.359025  5.441605       69.29347 
1 1 1 19  19  16 o 120.6030 52.15276 3.550322       5.059779  0.000000       0.000000  ?              ?        
1 1 1 19  19  17 o 153.8244 49.44744 12.45240       5.509090  3.185651       5.209455  65.85856       79.09026 
1 1 1 19  19  18 o 106.6865 45.22160 2.359544       5.245837  2.778579       5.129221  -1.638298      71.58313 
1 1 1 19  19  19 o 176.5514 48.89862 12.22725       5.590954  8.134884       5.488238  30.49457       83.15794 
1 1 1 19  19  20 o 103.6397 45.05795 -0.8695024     5.239174  6.351854       5.576066  -32.78685      71.34209 
1 1 1 19  19  21 o 93.52572 42.35005 -3.596669      5.073896  6.768360       5.518698  -42.97828      68.61297 
1 1 1 19  19  22 o 84.92474 39.53754 1.486066       5.169463  -1.752068      4.966382  12.43179       63.65251 
1 1 1 19  19  23 o 97.48588 45.57064 1.371872       5.290697  1.782549       11.93098  -11.38741      72.40003 
1 1 1 19  19  24 o 96.40895 43.17998 4.474307       5.138018  0.5062469      5.528887  13.70676       66.24147 
1 1 1 19  19  25 o 71.94942 35.05415 -0.8001946     5.039617  -3.967330      5.056180  7.902313       56.97185 
1 1 1 19  19  26 f 69.84344 34.29964 -3.203572      5.117678  -2.233648      5.136646  -2.277878      55.44638 
1 1 1 19  20  4  f 94.41833 42.62605 2.174289       5.489289  -1.173758      5.136546  15.94420       69.16038 
1 1 1 19  20  5  o 108.8181 45.84724 8.067578       5.435770  -2.242582      5.134142  54.72356       73.34158 
1 1 1 19  20  6  o 104.0816 44.77387 2.457752       5.328049  1.511271       5.119448  5.528244       71.48419 
1 1 1 19  20  7  o 149.1990 49.58495 6.612861       5.303569  7.611451       5.422187  -6.668320      80.39175 
1 1 1 19  20  8  o 98.47434 43.37470 2.743341       5.207327  -0.5604082     5.094574  15.96781       70.01573 
1 1 1 19  20  9  o 95.90256 42.59599 3.136512       5.101122  -1.671295      5.035820  22.52223       69.12545 
1 1 1 19  20  10 o 106.7084 44.45483 2.370225       4.871190  2.579190       4.885381  -1.202171      70.89652 
1 1 1 19  20  11 o 111.6801 45.87527 0.9185758      5.110086  5.185722       5.081577  -23.13173      72.76917 
1 1 1 19  20  12 o 109.3538 45.44907 1.423138       5.142149  4.124256       5.023072  -13.85298      72.11278 
1 1 1 19  20  13 o 106.6311 47.21248 0.4522088      6.082026  3.300331       6.278551  -11.97573      75.02773 
1 1 1 19  20  14 o 131.8324 52.87187 4.959989       6.851261  6.235450       6.343531  -5.681961      82.17191 
1 1 1 19  20  15 o 94.31736 46.95364 -9.396828      11.21033  -8.163692      10.54406  0.6150742      76.65438 
1 1 1 19  20  16 o 104.9239 51.09101 -5.768163      11.02734  0.1339994      10.36653  -7.789879      80.69732 
1 1 1 19  20  17 o 86.54539 40.54089 -4.370552      5.518568  2.376249       5.404350  -22.35207      66.26959 
1 1 1 19  20  18 o 84.84054 39.98486 -0.1662245     5.634641  -1.948628      5.290870  7.688522       65.03643 
1 1 1 19  20  19 o 124.0656 48.92982 1.202832       5.427291  9.969393       5.674947  -45.72409      75.91299 
1 1 1 19  20  20 o 75.92548 36.80824 -4.459222      5.367854  -1.521526      5.398710  -8.152008      60.84703 
1 1 1 19  20  21 o 86.74783 40.49832 2.454466       5.183990  -3.125360      5.584908  16.54533       64.82174 
1 1 1 19  20  22 o 114.2971 47.57017 4.125151       5.295948  5.812358       5.910823  -6.997688      72.52024 
1 1 1 19  20  23 o 85.85210 40.20892 -0.1708480     5.462059  1.318029       5.277582  -3.924934      62.91414 
1 1 1 19  20  24 o 91.11221 41.79131 3.980789       5.320363  -0.2288497     5.398480  13.59804       64.46316 
1 1 1 19  20  25 o 79.97424 38.11007 -5.542825      5.190159  5.766045       5.262448  -32.13732      61.20888 
1 1 1 19  20  26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  21  6  o 124.6934 49.67063 4.968356       5.866172  4.678763       5.678354  1.675949       77.74488 
1 1 1 19  21  7  o 115.7723 47.73656 0.5448389      5.410078  7.071541       5.690700  -33.73335      75.40643 
1 1 1 19  21  8  o 169.2009 50.49934 13.43229       5.733264  5.392130       5.671844  57.64180       82.39240 
1 1 1 19  21  9  o 148.7782 51.08807 7.914643       5.672758  7.088312       5.713258  5.359329       81.52768 
1 1 1 19  21  10 o 79.37167 37.97151 -3.450752      5.156292  -1.740881      5.448526  -7.513062      63.29025 
1 1 1 19  21  11 o 81.42526 38.66445 -3.892182      5.186898  -0.3297834     5.386959  -13.31481      64.33992 
1 1 1 19  21  12 o 139.9102 49.66366 7.511599       5.370644  5.189593       5.441590  14.93877       78.98911 
1 1 1 19  21  13 o 97.70905 43.25041 5.271393       5.103308  -2.984922      5.262621  36.04355       69.41322 
1 1 1 19  21  14 o 87.23400 40.87547 -4.463610      5.518788  2.527557       5.597966  -24.29019      67.10188 
1 1 1 19  21  15 o 122.2840 56.20662 0.000000       0.000000  4.531071       6.903685  ?              ?        
1 1 1 19  21  16 o 93.25375 45.12811 -2.541939      5.656724  0.000000       0.000000  ?              ?        
1 1 1 19  21  17 o 135.8291 63.16056 18.24443       12.71757  1.160971       13.01672  27.91699       92.09866 
1 1 1 19  21  18 o 109.2029 53.63721 8.908775       11.99720  -11.34340      13.19554  22.99561       82.43567 
1 1 1 19  21  19 o 88.99300 41.41688 2.832552       5.624897  -2.556763      5.478139  18.53437       66.41955 
1 1 1 19  21  20 o 96.62991 43.56098 2.810213       5.551449  1.061997       5.481369  6.543518       67.89336 
1 1 1 19  21  21 o 103.8724 45.46352 4.976818       5.574222  2.272208       5.580232  10.25180       69.30405 
1 1 1 19  21  22 o 94.80252 42.94257 3.498097       5.477342  1.344629       5.396745  7.475174       65.90903 
1 1 1 19  21  23 o 103.7458 45.66808 0.6010524      5.568154  8.149552       5.843253  -26.80936      69.27129 
1 1 1 19  21  24 o 89.81510 41.38409 2.302868       5.406522  2.102776       5.273048  0.8012924      62.98230 
1 1 1 19  21  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  22  8  o 96.61911 43.73301 -0.5796362     5.463755  2.664366       5.803806  -13.79736      69.88026 
1 1 1 19  22  9  o 127.9810 50.02462 7.181596       5.857366  3.943108       5.655278  16.90985       77.94983 
1 1 1 19  22  10 o 101.8770 45.75940 0.3558596      5.477515  3.557125       6.777028  -16.05071      72.98885 
1 1 1 19  22  11 o 94.86298 45.01017 -0.6708812     5.507798  -1.998921      12.56107  -18.09644      74.69901 
1 1 1 19  22  12 o 94.45909 44.91854 -0.1198394     5.560537  -4.590822      12.48286  -12.15835      73.46577 
1 1 1 19  22  13 o 106.7418 48.84457 2.733112       5.566288  -0.2930599     13.31437  -7.041473      77.48436 
1 1 1 19  22  14 o 103.7810 46.09276 2.113430       5.489995  2.862653       6.505668  -5.338921      72.10375 
1 1 1 19  22  15 o 112.5284 53.46690 0.000000       0.000000  2.926516       7.167015  ?              ?        
1 1 1 19  22  16 o 104.3159 49.00548 1.486029       6.196815  3.587668       14.72354  -13.36283      77.61450 
1 1 1 19  22  17 o 143.9630 61.58295 11.90384       6.910959  0.000000       0.000000  ?              ?        
1 1 1 19  22  18 o 78.01430 38.54184 -3.001769      6.425945  -6.551453      7.261302  2.896896       62.76006 
1 1 1 19  22  19 o 101.9283 50.88000 4.497324       13.37048  -4.082310      12.89152  7.891754       76.11734 
1 1 1 19  22  20 o 99.36253 49.81155 3.018605       13.11393  -4.398166      13.30689  5.930496       74.45117 
1 1 1 19  22  21 o 74.08492 36.18983 -4.807169      5.411335  -0.2764953     5.555857  -11.27692      58.80568 
1 1 1 19  22  22 o 70.84201 34.89239 -2.931243      5.389327  -3.548012      5.480341  0.8873825      56.58740 
1 1 1 19  22  23 o 92.05198 42.12676 1.090955       5.479650  4.256896       5.331724  -9.691856      63.71977 
1 1 1 19  23  10 o 109.6185 52.14597 0.000000       0.000000  1.832259       6.857723  ?              ?        
1 1 1 19  23  11 o 87.49054 41.20234 -5.878167      5.417170  6.220298       6.207272  -42.47620      68.68255 
1 1 1 19  23  12 o 111.7215 47.63329 5.241199       5.542460  2.285282       6.126873  11.60885       73.32436 
1 1 1 19  23  13 o 83.03703 39.59599 0.9088848      5.536182  -4.109181      5.794384  13.13241       64.21435 
1 1 1 19  23  14 o 83.39766 39.96926 -1.895714      5.668362  -1.394861      6.222842  -3.943558      64.56308 
1 1 1 19  23  15 o 115.3412 50.24958 10.01134       7.166142  0.8186198      6.390663  31.94205       77.13040 
1 1 1 19  23  16 o 94.97168 43.90218 -0.1921562     5.885070  3.114043       6.292492  -11.15897      68.60750 
1 1 1 19  23  17 o 95.95250 43.87212 -0.1920870E-02 5.770278  3.911114       5.920195  -13.03718      68.11635 
1 1 1 19  23  18 o 112.9934 48.94450 9.260240       6.793781  2.082818       5.939284  24.60052       74.20082 
1 1 1 19  23  19 o 78.68185 38.55526 -3.347512      6.329823  -1.930062      6.407622  -3.140991      61.66475 
1 1 1 19  23  20 o 88.65549 42.03009 0.7176431      5.783925  1.474492       6.709086  -3.683708      64.74831 
1 1 1 19  23  21 o 89.33608 45.58080 -4.855567      14.07055  -7.177303      15.14601  0.4332886      68.42296 
1 1 1 19  23  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  24  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 19  24  15 o 110.0384 48.98644 0.6872421      6.615704  8.886638       6.875672  -25.60982      74.16737 
1 1 1 19  24  16 o 72.69756 35.85409 -3.656235      5.608606  -4.327910      6.018983  -0.6458588     58.65407 
1 1 1 19  24  17 o 92.89335 43.64351 -2.519702      6.674806  5.073982       6.172822  -18.50099      67.24321 
1 1 1 19  24  18 o 93.45736 46.11682 0.000000       0.000000  0.1457140      6.819063  ?              ?        
1 1 1 19  24  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  -14 0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  -14 1  o 97.44585 42.38672 2.820574       4.453158  4.408093       5.200482  -6.438576      64.31303 
1 1 1 20  -14 2  f 70.31377 33.89853 1.856246       4.349765  -5.049387      4.473389  20.03237       55.40329 
1 1 1 20  -14 3  o 67.81665 32.92864 -2.986367      4.092508  -1.090691      4.669663  -8.937050      54.11778 
1 1 1 20  -14 4  o 79.23235 36.80679 -1.149501      4.104488  2.168244       4.650770  -14.63400      58.81105 
1 1 1 20  -14 5  o 114.3529 44.81911 4.210253       4.411793  6.101322       4.881724  -9.211288      68.66298 
1 1 1 20  -14 6  o 70.07131 33.95513 -1.507349      4.422631  -3.030481      4.728593  2.482742       55.53866 
1 1 1 20  -14 7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  -13 0  o 143.5845 45.84613 9.765093       4.403941  5.779092       4.841885  31.16616       72.22397 
1 1 1 20  -13 1  o 90.51546 39.97294 2.553521       4.144050  1.454774       4.712153  3.331039       62.00631 
1 1 1 20  -13 2  o 102.5409 42.74305 2.320883       4.157612  5.341173       4.980042  -15.25885      66.28953 
1 1 1 20  -13 3  o 106.3694 43.48265 1.329177       4.365800  7.022861       4.760131  -30.11509      67.47036 
1 1 1 20  -13 4  o 93.08164 41.07005 1.354750       4.388666  2.984189       4.930524  -8.492783      64.19670 
1 1 1 20  -13 5  o 164.4612 45.87458 9.165066       4.684088  9.734507       5.048635  -0.3312836     77.63915 
1 1 1 20  -13 6  o 79.38975 36.92147 -0.4004565     4.098793  0.4348555E-01  4.775182  -5.432281      59.52845 
1 1 1 20  -13 7  o 141.0454 46.81920 8.202340       4.637694  6.085281       4.937956  16.24411       74.37596 
1 1 1 20  -13 8  o 114.7888 45.23918 3.361457       4.651287  5.947190       4.831363  -14.30425      70.07696 
1 1 1 20  -13 9  o 85.08764 38.92208 -1.186697      4.375949  2.773116       4.877498  -18.06476      62.45788 
1 1 1 20  -13 10 o 86.48196 39.52575 2.631094       4.732500  -1.277962      4.741334  15.24641       62.91468 
1 1 1 20  -12 0  o 151.7881 46.28341 11.04770       4.703251  5.965609       4.804930  37.59564       74.41923 
1 1 1 20  -12 1  o 99.03716 41.71312 3.377607       4.223458  2.548715       4.526853  3.735626       64.60709 
1 1 1 20  -12 2  o 117.6975 44.04977 6.820632       4.190737  2.593728       4.495127  27.37378       68.30229 
1 1 1 20  -12 3  o 89.31213 39.40666 4.360606       4.050942  -2.213712      4.524266  28.95020       62.25924 
1 1 1 20  -12 4  o 99.65910 42.01933 2.302745       4.281384  3.074935       4.615651  -4.900246      65.89223 
1 1 1 20  -12 5  o 94.58826 41.01402 1.176220       4.201756  2.910258       4.747318  -10.46198      64.92625 
1 1 1 20  -12 6  o 121.8069 45.01565 3.248628       4.212327  7.360799       4.856073  -25.86353      71.28016 
1 1 1 20  -12 7  f 128.7333 45.58237 5.116224       4.378755  6.395600       4.746100  -7.651733      72.22481 
1 1 1 20  -12 8  o 94.59730 40.78383 2.931961       4.118908  0.8054770      4.625011  8.696144       64.19952 
1 1 1 20  -12 9  o 83.54429 38.02488 0.8373931      4.162501  -0.2878649     4.510434  2.821152       61.06430 
1 1 1 20  -12 10 o 75.31719 35.64931 -1.488775      4.239264  -1.341734      4.632585  -3.324966      58.60806 
1 1 1 20  -12 11 o 93.34944 44.01844 0.000000       0.000000  -0.1902387E-01 4.685693  ?              ?        
1 1 1 20  -12 12 o 86.21654 39.74034 1.376941       4.183001  -2.488094      6.303909  2.694672       63.67562 
1 1 1 20  -11 0  o 120.8426 45.25219 3.753078       4.365583  6.695855       4.820451  -17.62553      70.96214 
1 1 1 20  -11 1  o 127.4965 44.95300 3.370324       4.338792  7.807013       4.511845  -30.73902      71.17670 
1 1 1 20  -11 2  o 87.36829 38.69856 2.687392       4.194729  -0.5905492     4.115637  16.55781       61.99055 
1 1 1 20  -11 3  o 124.3900 44.28599 4.298629       4.184637  5.909769       4.428484  -11.08959      70.51639 
1 1 1 20  -11 4  o 73.54621 34.85884 -1.473408      4.051088  -1.803447      4.497204  -2.257278      57.67995 
1 1 1 20  -11 5  o 86.58860 38.82915 0.5412308E-01  4.146167  1.291959       4.514278  -7.912422      62.54778 
1 1 1 20  -11 6  o 116.7877 44.27838 3.163790       4.244025  5.443096       4.600842  -15.16802      70.16829 
1 1 1 20  -11 7  o 104.8996 42.78024 2.155158       4.178254  3.795465       4.641416  -11.02440      67.87547 
1 1 1 20  -11 8  o 81.47937 37.47618 2.073657       4.243651  -3.186828      4.465824  21.04713       61.33069 
1 1 1 20  -11 9  o 106.4064 42.95763 4.131784       4.222274  1.746080       4.548944  13.26501       67.82426 
1 1 1 20  -11 10 o 160.7639 43.71910 10.60451       4.319485  5.049217       4.646547  50.55029       73.33010 
1 1 1 20  -11 11 o 124.5348 47.74232 5.541244       5.989149  5.088508       4.608490  1.636459       74.84283 
1 1 1 20  -11 12 o 80.17523 36.66034 -0.6812740     3.922448  0.4162391      4.260960  -7.395088      59.78692 
1 1 1 20  -11 13 o 68.94941 32.91869 -2.002419      3.958151  -2.113748      3.917700  0.7839127      55.05260 
1 1 1 20  -11 14 o 70.89215 33.72964 0.2748206      3.783422  -4.697752      4.410990  13.07883       56.05524 
1 1 1 20  -10 0  o 79.36790 36.60762 1.655752       4.085070  -2.422404      4.308922  15.70390       59.45754 
1 1 1 20  -10 1  o 102.5221 41.99788 0.4679454      4.150661  5.509666       4.369503  -30.32108      66.40748 
1 1 1 20  -10 2  f 89.67927 39.74924 -3.755848      4.299116  6.248980       4.488248  -51.02019      64.65318 
1 1 1 20  -10 3  o 173.2752 42.80969 8.727093       4.501442  9.444768       4.650805  -5.071991      76.93137 
1 1 1 20  -10 4  o 309.3335 27.54714 26.79581       5.242520  21.13679       5.218905  45.75400       61.58976 
1 1 1 20  -10 5  o 83.56478 37.71321 1.882496       4.099169  -1.749612      4.198244  16.70853       61.40926 
1 1 1 20  -10 6  o 100.8886 42.18659 4.547730       4.242435  -0.4424711     4.615711  26.28329       66.80936 
1 1 1 20  -10 7  o 96.63490 41.13779 5.568731       4.157960  -2.694447      4.511347  43.72520       65.28893 
1 1 1 20  -10 8  o 129.8007 44.89930 3.887918       4.202515  6.828229       4.628173  -21.59876      72.50240 
1 1 1 20  -10 9  o 110.1559 43.43353 2.826909       4.177030  3.926288       4.592079  -8.070160      69.08443 
1 1 1 20  -10 10 o 89.66563 39.12406 2.579732       3.974787  -0.8336662     4.243375  16.50854       62.98201 
1 1 1 20  -10 11 o 76.75790 35.82573 -0.8891003E-01 3.925164  -2.786565      4.543840  5.856110       59.31156 
1 1 1 20  -10 12 o 131.4751 44.61500 7.575065       4.258650  2.944417       4.424630  35.68423       71.31689 
1 1 1 20  -10 13 o 108.7040 44.88700 -0.9974399     5.764548  5.614398       4.352451  -28.65102      69.61176 
1 1 1 20  -10 14 o 98.79121 44.34406 1.637490       5.605151  1.065624       5.690456  1.871414       70.28590 
1 1 1 20  -10 15 o 118.8154 50.33206 -0.8680509     5.807611  13.00016       7.274186  -59.29784      80.46194 
1 1 1 20  -10 16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  -9  0  o 115.6308 44.08091 0.7447683      4.049582  8.897735       4.826343  -54.89475      70.39130 
1 1 1 20  -9  1  o 250.4666 31.91796 16.22854       4.739604  16.53604       4.961135  1.397278       71.17908 
1 1 1 20  -9  2  o 229.9467 34.78963 13.79609       4.715419  14.38098       4.905167  -2.574219      74.90938 
1 1 1 20  -9  3  f 204.0258 38.21037 12.73994       4.558816  9.960220       4.764565  30.84615       76.00627 
1 1 1 20  -9  4  o 341.1472 26.02301 27.65827       5.256849  29.06397       5.701028  -3.529175      56.09866 
1 1 1 20  -9  5  o 96.27708 41.12619 1.002277       4.154454  2.064744       4.570709  -8.398163      66.33073 
1 1 1 20  -9  6  o 102.5570 42.28013 1.480002       4.226464  3.065455       4.482581  -10.85930      67.84013 
1 1 1 20  -9  7  o 140.7531 52.75648 4.980553       6.149687  7.943309       6.298406  -16.30663      83.12930 
1 1 1 20  -9  8  o 160.7363 55.45085 9.645210       6.321284  7.868744       7.178730  12.48302       88.04740 
1 1 1 20  -9  9  f 159.3859 53.68122 11.65490       6.079592  4.954026       6.505298  42.34161       85.03050 
1 1 1 20  -9  10 o 141.1061 52.73540 4.772849       5.838356  8.979667       6.659237  -22.47051      83.38756 
1 1 1 20  -9  11 o 146.1678 52.50304 2.173013       5.487049  15.11333       6.859132  -74.50890      84.00539 
1 1 1 20  -9  12 o 121.4161 48.65899 2.783614       5.201486  6.334944       6.033148  -20.08643      77.08150 
1 1 1 20  -9  13 o 166.2182 51.44203 6.126760       5.531020  12.73317       6.219154  -42.83624      84.69985 
1 1 1 20  -9  14 o 117.1801 48.48424 6.754443       5.938961  1.373358       5.572308  26.77386       76.27910 
1 1 1 20  -9  15 o 106.5070 43.57767 4.521705       4.053535  0.8275253E-01  5.369267  19.27046       68.37579 
1 1 1 20  -9  16 o 95.96597 40.68837 3.478065       4.012166  -0.2155330     4.418623  18.51128       64.73547 
1 1 1 20  -9  17 o 133.4774 58.08711 0.000000       0.000000  7.211529       6.358710  ?              ?        
1 1 1 20  -8  0  o 199.6630 38.90208 8.913553       4.431059  13.78653       4.893163  -42.42461      76.23224 
1 1 1 20  -8  1  o 113.6749 43.77085 2.088362       4.102980  5.381566       4.659583  -23.60847      70.23975 
1 1 1 20  -8  2  o 137.3657 44.80114 6.045215       4.178694  5.026966       4.624686  8.667297       73.43890 
1 1 1 20  -8  3  o 87.92083 39.14062 1.001922       4.110110  -0.6840441     4.528811  5.199585       63.87634 
1 1 1 20  -8  4  o 155.9011 53.60254 14.47958       6.361557  1.522480       6.177827  80.75063       83.64410 
1 1 1 20  -8  5  o 136.5991 52.28281 3.691130       6.113966  7.494501       6.264231  -21.19711      82.82024 
1 1 1 20  -8  6  o 117.6868 48.84210 2.808830       5.764264  3.494555       5.953721  -4.136276      77.77924 
1 1 1 20  -8  7  o 172.7722 54.48449 17.74505       6.590476  1.557493       6.460611  105.9102       84.14508 
1 1 1 20  -8  8  o 88.35124 41.48453 -5.370882      5.566456  2.012062       6.010208  -29.25182      69.81313 
1 1 1 20  -8  9  o 111.1690 43.66957 1.951653       4.193208  4.175683       4.647832  -16.83425      70.41631 
1 1 1 20  -8  10 o 121.9843 50.29586 11.07200       6.003203  -4.394960      6.319446  75.61073       78.44106 
1 1 1 20  -8  11 o 118.5719 48.90837 2.776576       5.547752  4.287815       6.144717  -9.443329      77.73378 
1 1 1 20  -8  12 o 108.4372 46.87814 0.9480947      5.616202  3.448117       5.954694  -12.68688      74.85066 
1 1 1 20  -8  13 o 109.5893 50.73579 0.7096290      5.772429  0.000000       0.000000  ?              ?        
1 1 1 20  -8  14 o 119.8681 50.17320 11.02481       6.283341  -3.326016      6.232145  67.40908       78.97874 
1 1 1 20  -8  15 o 164.3028 53.44595 12.04222       6.310715  6.200447       6.176100  36.99597       86.10751 
1 1 1 20  -8  16 o 90.28144 41.86750 -1.031526      5.486374  0.6771668E-01  5.708864  -5.124786      67.88313 
1 1 1 20  -8  17 o 133.8838 51.50538 7.332935       6.077739  4.780273       5.975526  13.40106       80.40564 
1 1 1 20  -8  18 o 133.7861 48.65726 6.572743       5.917643  5.542737       4.729269  4.726189       77.31404 
1 1 1 20  -7  0  o 95.24224 40.73713 1.116425       4.132647  1.699172       4.435097  -5.165154      65.71294 
1 1 1 20  -7  1  o 135.6601 46.09424 4.925361       4.465649  5.945670       4.818271  -7.766129      75.09964 
1 1 1 20  -7  2  o 72.61679 35.66531 -3.579073      5.325345  -8.595611      5.801404  9.066902       61.60015 
1 1 1 20  -7  3  o 108.4380 47.40466 -3.527456      5.797170  7.518533       6.333604  -52.71413      77.42490 
1 1 1 20  -7  4  o 162.8019 53.35325 9.405993       6.320461  6.916471       6.114797  16.32301       87.15910 
1 1 1 20  -7  5  o 85.55342 39.38188 -1.430143      4.363690  -0.7590768     5.451455  -12.19429      66.10889 
1 1 1 20  -7  6  o 238.8760 34.42413 11.28117       4.685346  18.19771       5.274677  -60.41628      72.52503 
1 1 1 20  -7  7  o 97.77945 44.15155 0.3310351      5.518832  -0.7984604     5.886147  2.148392       72.34320 
1 1 1 20  -7  8  o 179.1420 53.37825 10.69948       6.270048  8.504351       6.485574  16.39433       89.54761 
1 1 1 20  -7  9  o 201.4610 50.10443 15.24334       6.288249  8.235744       6.183971  55.37428       88.14688 
1 1 1 20  -7  10 o 202.6890 50.15308 18.40512       6.542453  6.342904       6.030961  92.02277       86.02918 
1 1 1 20  -7  11 o 141.5645 51.42876 1.666582       5.731037  10.36231       5.943974  -55.00866      81.62242 
1 1 1 20  -7  12 o 99.58834 41.55864 1.856707       4.381048  1.483147       4.174212  3.664230       67.25017 
1 1 1 20  -7  13 o 115.6258 48.09806 2.986894       4.029331  0.000000       0.000000  ?              ?        
1 1 1 20  -7  14 o 144.8482 42.81577 6.709558       4.092551  5.269802       4.137556  13.30959       72.30884 
1 1 1 20  -7  15 o 128.6543 41.98764 2.791020       3.643787  7.134411       4.098186  -38.45228      68.95736 
1 1 1 20  -7  16 f 108.0346 41.56877 5.990236       3.912019  -0.1948101     3.939444  45.04868       65.96593 
1 1 1 20  -7  17 o 110.7893 41.87573 0.1190584      3.833394  6.910373       4.053338  -51.14787      66.45638 
1 1 1 20  -7  18 o 94.79416 39.80432 4.623999       3.979252  -1.196320      3.936428  36.10710       63.91265 
1 1 1 20  -7  19 o 135.6011 44.58960 1.391869       4.044856  11.53741       4.709657  -80.21067      70.76259 
1 1 1 20  -6  0  o 135.0729 52.58237 6.424283       6.147753  4.311900       6.543283  10.55948       82.89616 
1 1 1 20  -6  1  o 202.6988 53.00372 11.65548       6.456141  13.44125       7.062114  -8.978775      93.28649 
1 1 1 20  -6  2  o 96.36560 44.13191 -4.127647      5.504198  4.094610       6.511490  -39.05321      74.23195 
1 1 1 20  -6  3  o 111.2613 43.48631 3.904251       4.273743  1.632288       4.425583  14.72229       70.05103 
1 1 1 20  -6  4  o 166.3129 52.58696 7.297705       5.896740  9.431000       6.268973  -14.31161      86.99877 
1 1 1 20  -6  5  o 91.43718 42.34175 3.266059       5.712158  -6.118465      5.669161  36.89242       71.04989 
1 1 1 20  -6  6  o 84.69750 40.15726 0.9611994      5.801577  -6.558541      5.524419  28.62267       68.58405 
1 1 1 20  -6  7  f 130.4255 49.94108 3.838573       5.763607  4.935335       5.538030  -5.907806      80.09135 
1 1 1 20  -6  8  o 126.5586 46.26347 4.427692       5.706496  3.993531       4.130534  8.353874       75.91798 
1 1 1 20  -6  9  o 93.13630 39.52980 1.274194       3.894394  0.5798661      4.054230  2.945145       64.62576 
1 1 1 20  -6  10 f 197.2111 36.44995 8.577508       4.096987  11.44919       4.524488  -27.09637      72.20702 
1 1 1 20  -6  11 o 197.2495 35.82052 5.470621       4.077980  14.87071       4.381422  -95.48679      67.38548 
1 1 1 20  -6  12 o 107.9592 44.15258 -1.029307      6.374210  3.374457       3.887973  -7.720848      71.66248 
1 1 1 20  -6  13 o 129.4652 46.23201 6.100454       4.141336  1.732661       5.540734  25.96415       73.88182 
1 1 1 20  -6  14 o 152.4391 41.35508 7.958326       4.019334  4.795964       3.998788  31.15721       71.31789 
1 1 1 20  -6  15 o 77.69988 35.51084 -1.882249      3.822797  0.2915639      3.823321  -10.99355      59.15805 
1 1 1 20  -6  16 o 161.4511 40.41530 12.04538       4.147934  2.912768       3.936152  88.62770       67.15949 
1 1 1 20  -6  17 f 112.0953 41.45618 3.609047       3.731507  2.914192       3.910176  4.760948       66.91422 
1 1 1 20  -6  18 o 131.4324 42.92827 5.617185       3.969268  4.463245       4.083385  9.895882       70.43418 
1 1 1 20  -6  19 o 156.2251 41.13626 7.777135       4.072721  6.304116       4.009366  14.02856       72.16577 
1 1 1 20  -6  20 o 90.90009 39.25915 -0.7206903     3.814430  3.676927       4.322719  -27.97216      63.88754 
1 1 1 20  -5  0  o 104.2709 46.49344 4.449243       5.955101  -3.465041      6.252522  30.96997       75.38838 
1 1 1 20  -5  1  o 135.2846 51.80350 6.077065       5.675193  3.647320       6.577467  11.57281       82.46745 
1 1 1 20  -5  2  o 91.56573 39.99279 -3.693623      4.128297  5.398863       4.485741  -55.58735      66.26597 
1 1 1 20  -5  3  o 105.4228 46.32022 -0.3035748     5.811579  2.168973       5.868229  -11.46923      75.24513 
1 1 1 20  -5  4  o 80.58986 38.56296 -0.9922374     5.446181  -6.501832      5.492724  18.12985       66.01949 
1 1 1 20  -5  5  o 131.2949 50.12596 4.435008       5.461612  4.197712       5.923092  -0.2085114     80.73163 
1 1 1 20  -5  6  o 80.10110 36.78540 1.833661       4.235172  -4.255795      4.106361  31.73347       62.45485 
1 1 1 20  -5  7  o 231.3439 32.07855 14.66473       4.576410  11.47746       4.389059  30.75212       67.71377 
1 1 1 20  -5  8  o 205.7153 35.01038 7.359154       4.312752  13.64813       4.302807  -66.27289      69.27783 
1 1 1 20  -5  9  o 300.6061 25.21821 22.13769       4.583107  20.03534       4.739187  18.25934       53.26841 
1 1 1 20  -5  10 o 174.8371 38.29431 8.486644       3.994083  7.220345       4.083416  14.11757       71.59995 
1 1 1 20  -5  11 o 192.6465 35.71788 8.533183       4.021596  10.24220       4.207174  -17.26962      70.62857 
1 1 1 20  -5  12 o 250.9209 41.41389 0.000000       0.000000  16.31802       4.399228  ?              ?        
1 1 1 20  -5  13 f 209.5037 34.41654 7.869775       4.137747  14.57783       4.523103  -67.15941      69.04404 
1 1 1 20  -5  14 o 465.5285 20.67543 51.79033       5.998703  47.78220       5.913597  19.55341       42.51243 
1 1 1 20  -5  15 f 90.14031 38.47258 1.331952       3.782022  0.3383597      3.816329  5.943634       62.86487 
1 1 1 20  -5  16 o 88.17136 38.07875 0.5656644      3.879343  0.7632356      3.734533  0.7064819E-01  62.23814 
1 1 1 20  -5  17 o 86.84248 37.43872 2.271150       3.688206  -0.7633180     3.642969  19.15819       61.11134 
1 1 1 20  -5  18 o 198.8184 33.61283 8.160724       3.988677  12.15489       4.007193  -43.91248      68.10082 
1 1 1 20  -5  19 o 100.8251 39.60906 3.091852       3.667037  1.717725       3.579532  10.56796       63.72128 
1 1 1 20  -5  20 o 176.2833 37.14320 6.947737       3.906119  10.01748       3.961089  -32.58655      70.28412 
1 1 1 20  -5  21 o 96.77071 39.40551 4.484693       3.805389  -0.1290673     3.638833  32.14791       63.19589 
1 1 1 20  -4  0  o 214.7322 48.88750 15.03284       6.245305  10.92361       6.492756  35.67476       89.92514 
1 1 1 20  -4  1  o 101.2951 45.48010 0.9058626      5.760349  -0.7857165     6.148088  4.459305       74.22995 
1 1 1 20  -4  2  o 112.3096 47.85427 -1.478810      5.538400  6.217097       6.245954  -42.20363      78.13525 
1 1 1 20  -4  3  o 246.2619 45.96148 14.11269       6.548797  18.53760       6.999625  -33.03767      91.53310 
1 1 1 20  -4  4  o 307.2461 36.19498 28.86943       6.754836  17.53974       6.777674  90.44351       79.59457 
1 1 1 20  -4  5  o 126.2475 43.71215 4.145558       4.015623  3.680501       4.345475  2.374130       71.86172 
1 1 1 20  -4  6  o 225.6196 32.16258 10.63842       4.304603  13.93754       4.447014  -33.06145      67.18670 
1 1 1 20  -4  7  o 281.1147 27.46997 20.37686       4.852944  16.73789       4.614442  29.21350       58.06099 
1 1 1 20  -4  8  f 191.7911 37.14660 12.38394       4.385497  6.223603       4.144192  63.89204       70.27026 
1 1 1 20  -4  9  o 324.3226 24.90694 28.54893       5.006235  20.15553       4.939495  61.32150       52.86740 
1 1 1 20  -4  10 o 112.7165 41.62467 3.961563       3.792910  1.655162       3.902076  18.13599       67.76027 
1 1 1 20  -4  11 o 191.8978 35.06892 7.940729       3.938469  10.42352       4.108431  -26.35172      69.22553 
1 1 1 20  -4  12 o 134.5489 45.25861 -0.6052603     5.337980  7.635366       3.915771  -55.58486      70.62479 
1 1 1 20  -4  13 o 299.4193 24.08231 17.87173       4.366397  24.03254       4.507475  -48.05325      50.94585 
1 1 1 20  -4  14 o 220.0166 31.92822 8.887593       4.046031  15.31629       4.442616  -63.72293      66.19444 
1 1 1 20  -4  15 o 153.4039 40.62621 3.107279       3.831603  9.669929       4.029069  -65.92469      68.46246 
1 1 1 20  -4  16 o 504.5552 19.44056 59.24438       6.093492  57.24735       6.053185  8.959045       39.84418 
1 1 1 20  -4  17 o 215.2350 32.07243 9.664008       4.028242  13.72367       4.286996  -40.68349      67.17490 
1 1 1 20  -4  18 o 234.5452 29.32574 14.50563       4.135298  12.61489       4.213222  20.80893       63.62040 
1 1 1 20  -4  19 o 89.79214 37.74700 0.9228182      3.598618  1.387951       3.533225  -2.555603      61.31441 
1 1 1 20  -4  20 o 124.0844 41.66386 4.058411       3.825111  4.701911       3.744431  -5.512665      68.13267 
1 1 1 20  -4  21 o 180.2730 35.46462 10.63013       3.977776  7.010981       3.687793  37.02513       68.80965 
1 1 1 20  -4  22 o 123.5863 41.60447 3.642285       3.923311  5.203391       3.639111  -13.25934      67.60321 
1 1 1 20  -3  0  o 82.23396 37.30779 -0.7454435     3.893043  -0.7393685     4.399092  -5.106689      62.29726 
1 1 1 20  -3  1  o 90.90393 42.55485 -1.529147      5.714283  -3.124754      6.333667  0.7918243      71.10330 
1 1 1 20  -3  2  o 160.0266 53.37806 4.124330       5.896003  11.23765       6.586016  -48.81531      87.18902 
1 1 1 20  -3  3  o 361.4452 28.37499 35.74254       7.348826  27.71131       5.616765  37.62439       60.42375 
1 1 1 20  -3  4  o 239.0106 30.26164 13.75472       4.270947  13.32824       4.511479  6.375641       64.16646 
1 1 1 20  -3  5  o 185.6905 38.57009 7.977552       4.159036  9.303751       4.450609  -12.84465      73.34202 
1 1 1 20  -3  6  o 104.6436 41.67039 0.4677133      3.919856  3.427991       4.215602  -24.07656      68.28139 
1 1 1 20  -3  7  o 106.1349 42.01219 -0.3454248     4.025296  4.433135       4.185596  -36.36929      68.42623 
1 1 1 20  -3  8  o 249.5308 29.89112 14.61574       4.473006  14.65883       4.599356  0.5935364      63.21024 
1 1 1 20  -3  9  o 328.5081 23.93611 30.38064       4.920253  19.35360       4.771646  78.73093       50.87578 
1 1 1 20  -3  10 o 317.1309 23.97464 21.90581       4.610126  24.26172       4.756142  -16.63663      49.60900 
1 1 1 20  -3  11 o 221.3165 31.55768 13.80508       4.308332  9.755886       4.117905  41.21236       65.61517 
1 1 1 20  -3  12 o 161.8618 39.68083 10.84784       4.062705  2.915407       3.851619  81.60500       67.12228 
1 1 1 20  -3  13 o 141.9776 40.59934 4.632798       3.744260  5.814677       3.766507  -12.06029      69.59933 
1 1 1 20  -3  14 o 160.9554 39.28324 11.51138       4.003834  2.424889       3.780179  92.80141       65.28068 
1 1 1 20  -3  15 o 213.0727 31.84671 8.415456       3.961601  14.03285       4.210420  -58.23380      65.61464 
1 1 1 20  -3  16 o 305.5089 23.69195 20.87714       4.386762  22.56170       4.526269  -11.95068      49.46993 
1 1 1 20  -3  17 o 106.5484 40.26371 3.084643       3.570852  2.055848       3.715202  7.349152       65.35190 
1 1 1 20  -3  18 o 80.77258 35.92567 -2.074588      3.570407  1.941938       3.667136  -24.46606      59.64252 
1 1 1 20  -3  19 o 94.77883 38.79189 1.271498       3.553640  2.050798       3.704939  -6.512527      62.83136 
1 1 1 20  -3  20 o 209.5041 32.06150 10.85774       4.013636  11.32777       4.055443  -4.653381      67.45417 
1 1 1 20  -3  21 o 87.37614 37.28650 1.538749       3.521449  0.4792270      3.615100  5.950401       60.41471 
1 1 1 20  -3  22 o 128.8893 41.68741 4.874593       3.816739  4.779409       3.785192  0.8193665      68.71677 
1 1 1 20  -3  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  -2  0  o 80.42751 38.59782 1.623786       5.501899  -9.866381      5.637159  37.18200       67.02913 
1 1 1 20  -2  1  o 223.7450 48.01892 14.44254       6.332001  12.75928       6.607274  16.26924       90.95388 
1 1 1 20  -2  2  o 135.4504 51.41784 1.493435       5.624817  8.199046       6.347382  -44.28696      83.34206 
1 1 1 20  -2  3  o 167.0718 40.44577 7.313251       3.921752  6.798985       4.414552  6.218796       73.17731 
1 1 1 20  -2  4  o 424.5386 21.17491 41.19682       5.415521  40.42149       5.714118  5.805023       43.33630 
1 1 1 20  -2  5  o 169.4271 39.15770 5.482232       3.827353  9.236780       4.275655  -39.36960      71.20068 
1 1 1 20  -2  6  o 320.8898 23.30593 24.98223       4.494999  21.77461       4.728962  24.95190       48.46999 
1 1 1 20  -2  7  o 126.5457 42.69342 4.614898       3.786985  2.824934       4.190061  13.63046       70.44098 
1 1 1 20  -2  8  o 223.1958 31.23913 7.820447       4.007967  16.56886       4.438660  -87.13646      64.13048 
1 1 1 20  -2  9  o 290.9789 25.92124 22.22013       4.630719  16.70338       4.629003  45.33185       54.80917 
1 1 1 20  -2  10 o 328.2873 23.43259 25.60979       4.601209  23.35776       4.893294  17.83694       48.61305 
1 1 1 20  -2  11 o 254.4017 27.37802 17.71106       4.352970  12.56234       4.158893  47.15071       58.02732 
1 1 1 20  -2  12 o 260.3412 26.04109 13.81668       4.076538  17.67034       4.225736  -34.41505      54.89030 
1 1 1 20  -2  13 o 175.9778 36.78891 5.756108       3.846445  9.675321       3.927848  -43.09674      68.61861 
1 1 1 20  -2  14 o 77.15954 34.98426 -0.9645028     3.604047  -0.8718782     3.633461  -0.8781967     58.88150 
1 1 1 20  -2  15 o 178.0234 36.94022 5.890084       3.896687  10.25025       3.996371  -47.19221      69.06340 
1 1 1 20  -2  16 o 303.4104 23.58447 23.39385       4.425626  19.28440       4.382761  31.96860       49.43966 
1 1 1 20  -2  17 o 156.1097 38.39639 5.010489       3.524237  7.886366       3.886431  -30.39868      68.77708 
1 1 1 20  -2  18 o 148.9467 39.52608 5.111541       3.558452  6.822582       3.887432  -17.27917      69.40565 
1 1 1 20  -2  19 o 78.44907 35.24933 -3.802295      3.476571  3.467291       3.690126  -44.93523      59.31505 
1 1 1 20  -2  20 o 247.9090 26.81554 12.49729       3.941501  17.59620       4.185948  -47.11681      58.23774 
1 1 1 20  -2  21 o 83.07198 36.56379 -2.153419      3.616268  2.795262       3.691777  -30.02135      60.20878 
1 1 1 20  -2  22 o 76.63855 34.62336 0.8339581      3.594197  -1.311719      3.425146  13.31224       57.27930 
1 1 1 20  -2  23 o 81.10555 35.64557 1.738374       3.512151  -0.8091698     3.410968  16.02328       58.26255 
1 1 1 20  -1  0  o 168.4879 51.47901 8.682111       5.759032  7.574957       6.001390  8.632248       86.17166 
1 1 1 20  -1  1  o 193.4102 49.23796 11.82586       5.937531  8.679162       5.906292  26.18105       87.23667 
1 1 1 20  -1  2  o 245.2738 29.90225 14.39240       4.357486  14.05872       4.560765  5.047272       63.47419 
1 1 1 20  -1  3  o 209.6547 34.96481 11.36579       4.343185  9.897020       4.432639  16.18559       70.73049 
1 1 1 20  -1  4  o 412.9818 21.08247 39.32922       5.251943  37.69203       5.524514  10.55997       43.13346 
1 1 1 20  -1  5  o 145.5621 42.46987 3.381456       3.912722  7.554993       4.250573  -41.66736      71.75704 
1 1 1 20  -1  6  o 253.5735 28.06699 10.87305       4.046203  20.33634       4.711388  -83.63680      59.31922 
1 1 1 20  -1  7  o 149.0004 42.25061 5.502120       3.956810  5.537339       4.224339  -0.9690247     72.81645 
1 1 1 20  -1  8  o 188.9765 35.44698 10.13673       3.980239  7.006423       4.025562  34.83278       68.62379 
1 1 1 20  -1  9  o 314.6880 23.19528 26.90152       4.505379  18.07594       4.486821  66.25522       48.99276 
1 1 1 20  -1  10 o 120.1164 47.46723 2.572130       3.698004  0.000000       0.000000  ?              ?        
1 1 1 20  -1  11 o 373.1871 21.52289 32.48643       4.899942  30.38754       5.025061  13.71283       44.03458 
1 1 1 20  -1  12 o 220.5642 31.03456 9.360730       3.979481  13.93510       4.296517  -46.15588      64.25850 
1 1 1 20  -1  13 o 63.74602 30.64264 -2.729692      3.545716  -3.880511      3.539437  5.114761       53.75341 
1 1 1 20  -1  14 f 254.3791 31.98503 15.28279       4.151605  15.65625       6.444850  15.69986       73.42415 
1 1 1 20  -1  15 o 230.6554 29.29033 15.01668       4.196530  10.45393       4.003280  45.50627       61.97683 
1 1 1 20  -1  16 o 105.5707 39.28190 4.336082       3.428588  0.5505896      3.446219  32.40151       63.52156 
1 1 1 20  -1  17 f 99.86524 38.87759 0.6670273      3.316044  3.469112       3.633434  -25.29642      63.54749 
1 1 1 20  -1  18 o 121.6995 41.07627 4.645428       3.740619  2.949196       3.618369  15.93887       67.64858 
1 1 1 20  -1  19 o 159.0399 37.84560 5.255486       3.588661  8.147154       3.777296  -30.98283      68.37045 
1 1 1 20  -1  20 o 145.0260 39.42976 8.929832       3.732850  2.773144       3.553270  62.95367       65.90766 
1 1 1 20  -1  21 o 111.4901 40.08107 3.320237       3.543348  3.151908       3.521303  1.517052       65.11628 
1 1 1 20  -1  22 o 92.31401 37.87177 -0.7635090     3.432517  3.983575       3.502851  -34.39165      61.10636 
1 1 1 20  -1  23 o 192.0656 33.44690 9.725781       3.808920  9.563334       3.872316  2.698532       68.29278 
1 1 1 20  -1  24 o 87.11259 36.84413 4.428357       3.432149  -1.997776      3.428611  42.77503       59.34164 
1 1 1 20  0   0  o 327.3839 35.89439 23.85526       7.099490  29.31203       7.242985  -39.65607      78.87984 
1 1 1 20  0   1  o 236.2465 46.39032 13.49990       6.583916  15.76264       6.527841  -19.84579      90.50445 
1 1 1 20  0   2  o 119.4244 43.22923 5.129578       4.178399  1.466135       4.059210  30.65276       70.42216 
1 1 1 20  0   3  o 337.4113 23.56537 26.32266       4.832924  25.59122       4.972668  5.910797       48.57865 
1 1 1 20  0   4  o 89.59817 38.74822 0.6822654      3.847655  -0.4814815     4.062256  4.854134       64.39686 
1 1 1 20  0   5  o 371.7614 22.24218 31.03138       5.022790  31.48276       5.193162  -2.041779      45.46952 
1 1 1 20  0   6  o 293.2834 25.78737 22.40256       4.701450  17.05308       4.588161  42.72296       54.01812 
1 1 1 20  0   7  o 198.7380 34.78408 9.403180       4.025056  9.425755       4.248154  0.7276459      69.19700 
1 1 1 20  0   8  o 136.5215 42.13369 4.624289       3.879319  4.393019       3.970775  1.835373       71.07912 
1 1 1 20  0   9  o 466.0348 19.33883 47.45928       5.426214  49.88956       5.744446  -10.94507      39.19754 
1 1 1 20  0   10 o 106.3337 40.45441 4.178749       3.533777  -0.3795788     3.869703  33.99597       65.34952 
1 1 1 20  0   11 o 276.1909 25.00848 19.99587       4.249858  14.85114       4.226717  44.24113       52.65945 
1 1 1 20  0   12 o 740.0855 18.56351 120.5974       8.305011  124.6237       8.743073  -11.01074      37.55847 
1 1 1 20  0   13 o 125.9028 41.50647 1.571769       3.655940  6.266340       3.871903  -45.45984      67.91667 
1 1 1 20  0   14 o 236.1503 40.20397 13.74154       4.015388  0.000000       0.000000  ?              ?        
1 1 1 20  0   15 o 107.0934 40.44061 3.171166       3.623899  1.445461       3.720884  13.43391       66.05308 
1 1 1 20  0   16 o 175.3483 36.06238 7.620429       3.853199  7.699557       3.732760  -1.466324      68.80790 
1 1 1 20  0   17 o 77.94813 35.00526 -0.6998486     3.463937  -0.4765605     3.587034  -2.768333      58.60939 
1 1 1 20  0   18 f 208.4788 29.84164 9.549215       3.627161  11.49996       3.884662  -19.53502      62.39989 
1 1 1 20  0   19 o 186.7869 33.26234 7.553276       3.605954  9.959785       3.829581  -25.93683      66.29461 
1 1 1 20  0   20 o 331.4551 21.05561 26.93650       4.335075  23.91486       4.279136  21.10132       43.69974 
1 1 1 20  0   21 o 102.0251 38.07244 5.349151       3.185217  -0.5574223     3.284063  50.09151       60.09865 
1 1 1 20  0   22 o 212.1351 28.06760 10.63123       3.613492  11.44275       3.592456  -9.507019      60.13317 
1 1 1 20  0   23 o 155.1761 36.22861 8.071133       3.470697  5.072151       3.378487  33.24380       65.75214 
1 1 1 20  0   24 o 117.0867 40.09827 4.121539       3.594060  3.648532       3.424977  4.374016       65.39207 
1 1 1 20  0   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  1   0  o 119.2984 49.42802 8.381517       6.342432  -2.073440      5.680237  59.62718       80.34885 
1 1 1 20  1   1  o 136.8627 51.01154 1.742892       5.847481  7.302343       5.756402  -35.20240      82.11014 
1 1 1 20  1   2  o 219.1720 32.23522 10.27963       4.198757  12.69011       4.306896  -24.74867      66.75535 
1 1 1 20  1   3  o 69.52914 33.13916 -5.183049      3.931067  -1.115876      3.980474  -18.49195      57.99498 
1 1 1 20  1   4  o 595.8690 19.02872 77.08300       6.935279  82.14616       7.117393  -18.94562      38.53109 
1 1 1 20  1   5  o 69.04650 32.90206 -10.39632      3.784307  4.908952       4.015635  -81.41695      59.85532 
1 1 1 20  1   6  o 96.61876 39.67941 -0.1460019     3.732957  2.320428       3.894455  -19.64232      65.51518 
1 1 1 20  1   7  o 349.5274 21.87069 25.08426       4.566143  30.27793       4.886575  -33.27063      44.63789 
1 1 1 20  1   8  o 160.6028 39.57315 4.511131       3.858526  8.181465       3.977259  -39.47417      69.96311 
1 1 1 20  1   9  o 155.2126 40.10604 6.631708       3.822449  5.079484       3.959085  16.29665       70.67493 
1 1 1 20  1   10 o 207.0026 32.08863 11.16131       3.915831  8.848962       4.062535  26.11563       65.37829 
1 1 1 20  1   11 o 140.3377 41.45085 1.881555       3.742774  8.092004       3.984361  -62.87004      68.12424 
1 1 1 20  1   12 o 71.80784 33.32940 -0.1111879     3.503111  -3.769757      3.613410  17.93279       57.34448 
1 1 1 20  1   13 o 250.8258 32.24387 13.71806       6.209913  15.25313       4.176343  -27.47185      72.86307 
1 1 1 20  1   14 o 164.7535 42.23199 7.963033       3.598255  3.763362       5.856819  33.49866       74.49957 
1 1 1 20  1   15 o 88.71338 37.69755 -0.3098663     3.542324  1.312301       3.702177  -12.94943      62.50934 
1 1 1 20  1   16 o 212.1002 30.25696 10.34302       3.748136  11.05760       4.000581  -5.952881      63.03396 
1 1 1 20  1   17 o 186.7355 34.14881 10.81933       3.882501  6.520365       3.741294  47.68309       66.50362 
1 1 1 20  1   18 o 149.9023 38.82874 3.159596       3.580879  8.616824       3.700462  -58.10837      66.25610 
1 1 1 20  1   19 o 305.9751 22.66751 22.81369       4.210354  20.35938       4.336017  20.10239       47.34858 
1 1 1 20  1   20 o 254.6986 24.91539 15.19445       3.838510  15.38881       3.935734  -0.8271179     52.88621 
1 1 1 20  1   21 o 118.4936 40.19722 2.970819       3.415449  4.524343       3.640149  -14.89330      66.06754 
1 1 1 20  1   22 o 184.3829 32.46429 8.252899       3.454872  9.159814       3.714387  -7.781738      65.67340 
1 1 1 20  1   23 o 91.67491 37.24229 -2.713979      3.245771  6.249471       3.384366  -69.81523      58.77595 
1 1 1 20  1   24 o 87.86173 36.78227 2.782474       3.410225  -0.1340536     3.319474  20.62595       59.51300 
1 1 1 20  1   25 o 90.89845 37.16816 -2.545330      3.270186  6.248060       3.384136  -65.63435      58.71635 
1 1 1 20  2   0  o 163.8051 53.10174 4.327546       6.342483  10.52223       6.001861  -43.02591      86.33372 
1 1 1 20  2   1  o 137.0557 51.25245 2.084147       5.911685  6.922169       5.821329  -30.30804      82.65403 
1 1 1 20  2   2  o 276.1622 27.38556 16.88455       4.697804  18.45361       4.564413  -14.65466      57.75388 
1 1 1 20  2   3  o 209.2928 46.54079 11.16735       4.162070  0.000000       0.000000  ?              ?        
1 1 1 20  2   4  o 145.9205 42.36304 2.068935       3.969242  8.792206       4.156713  -65.97863      69.61998 
1 1 1 20  2   5  o 181.7563 38.00481 5.983181       4.066742  10.21899       4.231917  -45.22760      70.70560 
1 1 1 20  2   6  o 316.2542 23.67271 18.23884       4.403377  27.97077       4.849648  -69.91849      49.13116 
1 1 1 20  2   7  o 136.0457 42.77192 9.954159       4.158534  -0.4489344     3.901425  97.66904       65.76057 
1 1 1 20  2   8  o 85.06120 37.56676 -0.2884645     3.866453  -0.7568995     3.909063  2.304016       63.16051 
1 1 1 20  2   9  o 127.2521 41.82589 3.298423       3.802780  4.210652       3.834251  -8.846161      69.69438 
1 1 1 20  2   10 o 133.5013 41.47190 2.565062       3.683711  6.138105       3.916574  -36.52095      69.19414 
1 1 1 20  2   11 o 82.93899 36.56084 0.2220528      3.592773  -1.190846      3.743572  6.908226       61.41498 
1 1 1 20  2   12 o 274.4240 24.36037 19.77033       4.106857  14.44821       4.100838  46.04305       51.23946 
1 1 1 20  2   13 o 340.7144 30.35122 0.000000       0.000000  26.83301       4.488514  ?              ?        
1 1 1 20  2   14 f 125.7066 41.09900 6.208265       3.556198  0.8851447      3.837773  48.33479       66.26109 
1 1 1 20  2   15 o 198.0529 32.46679 11.90948       3.803397  6.628999       3.899737  59.19344       64.67358 
1 1 1 20  2   16 o 489.8677 17.98075 51.56252       5.342333  56.27078       5.574323  -21.25720      36.44501 
1 1 1 20  2   17 o 196.6408 31.78207 10.67976       3.765405  7.957930       3.724156  30.81825       64.45753 
1 1 1 20  2   18 o 230.8791 28.27294 14.95838       3.959889  10.35858       3.969769  48.01813       60.47904 
1 1 1 20  2   19 o 266.4087 24.91998 15.18161       4.051620  17.97380       4.089560  -24.93024      52.71400 
1 1 1 20  2   20 o 86.15702 36.79406 1.813280       3.487104  -0.6304466     3.469835  16.61139       60.50564 
1 1 1 20  2   21 o 137.5282 39.54788 5.975973       3.557970  4.156676       3.549574  18.73730       67.43521 
1 1 1 20  2   22 o 78.52255 34.78290 -1.510709      3.408650  1.415192       3.307579  -16.69815      57.38690 
1 1 1 20  2   23 o 179.0913 32.99052 7.285276       3.587711  9.141088       3.475076  -23.02658      65.45017 
1 1 1 20  2   24 o 141.6741 37.30713 5.194233       3.405695  5.886205       3.246614  -8.327744      65.53972 
1 1 1 20  2   25 o 83.95081 35.44323 2.641369       3.257247  -0.3738410     3.080467  22.45191       57.61029 
1 1 1 20  2   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  3   0  o 86.50361 40.93073 -1.586384      5.956477  -4.766508      5.695152  13.46969       69.65398 
1 1 1 20  3   1  o 395.9162 31.65683 34.51324       7.654842  39.90805       7.766443  -32.00272      67.22948 
1 1 1 20  3   2  o 107.9701 42.01041 2.071535       4.010730  2.239201       4.075909  -1.809631      68.75379 
1 1 1 20  3   3  f 319.7421 24.20174 25.50920       4.815778  21.20573       4.715005  31.20386       50.11074 
1 1 1 20  3   4  o 155.5013 41.78904 2.894193       4.016558  9.449142       4.225198  -65.91940      70.24989 
1 1 1 20  3   5  o 375.4148 21.50905 34.82490       5.076617  28.81907       4.903887  36.51813       43.91989 
1 1 1 20  3   6  o 169.2002 50.91279 7.208045       4.085884  0.000000       0.000000  ?              ?        
1 1 1 20  3   7  o 375.5240 21.27673 29.50593       4.846478  33.93882       5.030751  -26.74252      43.29558 
1 1 1 20  3   8  o 199.0038 34.31100 10.79455       4.061713  7.852912       4.103884  32.41354       67.93291 
1 1 1 20  3   9  f 107.4932 41.44713 -1.273670      3.835073  5.521379       3.986347  -55.88497      66.79099 
1 1 1 20  3   10 o 294.6020 24.07273 17.52619       4.248365  21.95070       4.482908  -34.27286      49.63858 
1 1 1 20  3   11 o 330.7331 22.24158 26.63655       4.579677  22.65002       4.494646  27.80811       45.52056 
1 1 1 20  3   12 o 127.1025 41.31986 4.875236       3.713239  2.644710       3.749795  21.28001       68.65012 
1 1 1 20  3   13 o 159.0750 44.37460 3.962401       5.706551  7.347219       3.887488  -24.44093      76.51019 
1 1 1 20  3   14 o 251.2180 25.80167 15.64180       3.950449  13.24987       3.977153  22.90973       54.08762 
1 1 1 20  3   15 o 82.98817 36.31453 0.9125565      3.489318  -1.405280      3.627931  13.20954       60.65662 
1 1 1 20  3   16 o 310.4941 21.63246 21.89310       4.095953  21.81423       4.186491  1.071899       44.39480 
1 1 1 20  3   17 o 136.5678 39.75851 6.196187       3.539120  3.092523       3.604596  32.07661       67.07211 
1 1 1 20  3   18 o 109.3795 39.19480 3.065411       3.321711  2.411075       3.430422  5.214279       64.26519 
1 1 1 20  3   19 o 299.7522 22.27285 22.37332       4.107817  19.02622       4.115943  26.59329       46.44949 
1 1 1 20  3   20 o 290.8932 23.62788 17.85818       4.138058  21.60331       4.321725  -29.17453      49.49596 
1 1 1 20  3   21 o 391.3053 19.59217 39.58397       4.872644  31.01003       4.618687  49.41284       40.37794 
1 1 1 20  3   22 o 91.44832 37.26800 1.026148       3.308063  1.875048       3.352283  -6.677452      60.57496 
1 1 1 20  3   23 o 120.9883 38.91652 3.100886       3.279963  4.939536       3.351920  -18.08971      64.37508 
1 1 1 20  3   24 o 119.1354 38.72424 3.302397       3.250412  4.508200       3.305027  -11.81298      63.98427 
1 1 1 20  3   25 o 92.61896 38.59007 -2.345528      4.648740  3.458493       3.136115  -23.32449      60.99662 
1 1 1 20  3   26 o 74.99501 33.09515 1.528364       3.159582  -0.8000429     2.882555  17.43295       54.47043 
1 1 1 20  4   0  o 306.5482 37.97257 27.48203       7.423149  19.94578       6.756823  52.16208       82.42043 
1 1 1 20  4   1  o 157.7665 53.26854 5.308328       6.423467  8.020655       5.971992  -17.73257      87.07445 
1 1 1 20  4   2  o 335.9706 24.33687 26.70819       5.104449  25.00184       4.973412  11.19275       50.25084 
1 1 1 20  4   3  o 104.6701 41.87024 -0.1818041     4.042862  3.735118       4.196029  -29.73961      68.53731 
1 1 1 20  4   4  o 478.1808 20.03450 51.70036       5.973409  50.95034       5.886696  3.299194       40.65120 
1 1 1 20  4   5  o 123.1851 42.71507 0.8194271      3.950336  6.120403       4.017195  -47.05658      69.18577 
1 1 1 20  4   6  o 170.8147 39.18709 9.557961       4.070101  4.641145       4.057673  52.28142       70.06121 
1 1 1 20  4   7  o 287.2606 24.79755 22.76661       4.552807  15.22695       4.217501  60.27380       51.78326 
1 1 1 20  4   8  o 364.9433 21.64613 33.15101       5.073014  27.06973       4.704373  37.33679       44.06205 
1 1 1 20  4   9  o 296.7253 24.01616 21.57849       4.450155  18.29569       4.318382  25.44876       49.45095 
1 1 1 20  4   10 o 349.9585 21.78746 27.35729       4.712153  27.61133       4.700472  -1.730957      44.36176 
1 1 1 20  4   11 f 569.6564 17.97346 68.31933       6.219182  76.41673       6.475217  -32.01312      36.26593 
1 1 1 20  4   12 o 108.9720 44.90323 1.324268       3.466317  0.000000       0.000000  ?              ?        
1 1 1 20  4   13 o 167.1126 37.93887 5.254110       3.846559  8.261273       3.838801  -33.27638      69.02798 
1 1 1 20  4   14 o 249.3052 26.26211 17.61419       4.028530  10.95525       3.972996  63.56001       56.17850 
1 1 1 20  4   15 o 620.1208 17.55675 82.39275       6.614211  89.54469       6.887750  -25.66022      35.46639 
1 1 1 20  4   16 o 166.3209 37.37967 4.281841       3.692280  9.506133       3.836634  -57.56833      66.99655 
1 1 1 20  4   17 o 401.5258 19.20941 38.79756       4.783165  33.83084       4.758337  28.63007       39.17153 
1 1 1 20  4   18 o 77.96451 34.76224 -0.7338365     3.326265  -0.2422145     3.497784  -5.180542      58.31046 
1 1 1 20  4   19 o 102.5711 39.01316 3.046352       3.370272  1.300070       3.496248  13.57239       63.49063 
1 1 1 20  4   20 o 405.5095 18.79982 37.46260       4.707040  37.19641       4.725309  1.644196       38.40810 
1 1 1 20  4   21 o 362.8585 20.00140 28.87099       4.400488  31.55838       4.573879  -16.09311      41.13646 
1 1 1 20  4   22 o 222.1777 27.46577 11.61655       3.638714  12.26828       3.774729  -5.442169      58.85801 
1 1 1 20  4   23 o 103.3861 38.46304 3.652153       3.356569  1.678438       3.237287  17.43066       62.28667 
1 1 1 20  4   24 o 91.96597 36.83005 0.1584115      3.173047  3.275246       3.206057  -24.50421      59.45353 
1 1 1 20  4   25 o 56.49409 27.38355 -1.858864      3.141435  -3.420662      2.834688  10.63748       47.69524 
1 1 1 20  4   26 o 98.99656 36.67751 3.445265       3.045106  1.727522       2.939095  15.62012       59.17902 
1 1 1 20  5   0  o 261.1696 31.36746 23.56871       5.431992  11.11987       4.625188  104.9681       66.80923 
1 1 1 20  5   1  o 100.6803 45.10646 -0.9414036     6.065157  0.9319174E-01  5.589777  -0.7720566     74.59525 
1 1 1 20  5   2  o 266.2133 42.85362 20.89453       6.971867  14.82088       6.708862  49.27986       87.92528 
1 1 1 20  5   3  o 176.0193 39.82730 6.455249       4.200566  8.963822       4.294509  -26.21570      73.10926 
1 1 1 20  5   4  o 485.5523 19.77325 51.97716       5.909260  53.83621       5.977746  -8.600220      40.10740 
1 1 1 20  5   5  o 124.0567 43.06661 -0.4198770     3.909248  8.004153       4.206509  -75.45391      68.06700 
1 1 1 20  5   6  o 423.9686 20.51440 41.16257       5.348655  39.38895       5.410280  9.912811       41.65742 
1 1 1 20  5   7  o 267.1263 27.23389 17.55244       4.387803  14.99291       4.514312  23.56407       57.13769 
1 1 1 20  5   8  o 432.5859 19.91027 41.46254       5.343593  42.15182       5.313403  -3.777679      40.32676 
1 1 1 20  5   9  o 213.0818 31.89863 9.846594       4.097191  11.28727       4.076556  -15.64716      65.26192 
1 1 1 20  5   10 o 451.8448 19.60285 45.63592       5.489787  45.49025       5.473016  0.6951599      39.66137 
1 1 1 20  5   11 o 121.0239 41.91717 6.834573       3.867525  -0.2646350     3.804120  64.26346       66.59055 
1 1 1 20  5   12 o 616.5046 17.96297 89.17159       7.050263  80.45172       6.688546  31.54498       36.23501 
1 1 1 20  5   13 o 200.7579 32.16466 9.554057       3.940803  9.351840       3.803659  1.654404       65.07967 
1 1 1 20  5   14 o 311.4567 22.09943 19.68901       4.204033  24.15874       4.280900  -33.27805      45.45521 
1 1 1 20  5   15 o 98.05141 38.96854 1.350095       3.523108  1.554999       3.564294  -2.058365      64.11044 
1 1 1 20  5   16 o 452.1680 18.50694 39.92698       4.983084  52.72911       5.402330  -63.67468      37.59018 
1 1 1 20  5   17 o 251.4402 25.80046 11.50420       3.817757  18.21424       4.135615  -61.46736      54.73151 
1 1 1 20  5   18 o 133.9234 40.38059 9.036558       3.668725  0.1635742      3.596743  87.22690       62.74339 
1 1 1 20  5   19 o 433.7617 18.37696 45.14289       4.892203  39.90818       4.975878  28.58130       37.59110 
1 1 1 20  5   20 o 144.7243 38.28477 5.860716       3.445310  4.944905       3.535497  10.11484       67.17841 
1 1 1 20  5   21 o 153.2682 37.20939 8.011577       3.514103  4.142683       3.489449  43.13747       65.82262 
1 1 1 20  5   22 o 86.56133 36.69956 0.3496825      3.376176  1.291221       3.459876  -7.195091      60.07089 
1 1 1 20  5   23 o 82.42473 35.49136 -3.393743      3.245952  4.747787       3.328253  -56.87056      57.85088 
1 1 1 20  5   24 o 86.38796 36.04943 1.874111       3.306454  0.5165910      3.132165  11.12767       58.60223 
1 1 1 20  5   25 o 194.1819 29.76525 11.25659       3.660479  8.203544       3.308608  31.07953       62.43302 
1 1 1 20  5   26 f 169.1912 31.14963 10.06435       3.319334  5.365312       3.002131  53.84779       60.79875 
1 1 1 20  5   27 o 185.8622 32.74776 8.598562       4.761376  9.541948       3.056720  -33.65283      67.73196 
1 1 1 20  6   0  o 219.0400 47.50892 10.74613       6.313179  14.75384       6.225979  -34.84650      88.90352 
1 1 1 20  6   1  o 257.3794 42.61785 23.11699       6.997538  12.04989       6.206173  87.09639       85.69785 
1 1 1 20  6   2  o 314.0675 38.23386 23.73217       7.436461  24.52942       7.162285  -9.026855      82.76747 
1 1 1 20  6   3  o 111.5707 42.76360 2.149367       4.159263  2.680937       4.128003  -3.799065      69.98536 
1 1 1 20  6   4  o 247.0346 30.75087 14.45856       4.567261  14.08031       4.655098  4.272873       64.67699 
1 1 1 20  6   5  o 234.9422 30.48811 15.83957       4.327800  9.865910       4.349553  60.13948       64.18164 
1 1 1 20  6   6  o 371.1333 21.87927 31.36160       4.925973  30.62180       5.108474  5.377625       44.65240 
1 1 1 20  6   7  o 302.5135 24.97157 20.90718       4.629309  20.61830       4.659540  2.396881       51.47806 
1 1 1 20  6   8  o 377.9153 21.42853 29.73983       4.925120  34.48969       5.084437  -28.61819      43.62093 
1 1 1 20  6   9  o 163.7884 39.58806 8.968266       4.007840  4.101978       3.947277  51.84033       69.57724 
1 1 1 20  6   10 o 292.1029 24.50730 17.79940       4.297918  20.95778       4.509197  -24.52011      50.50224 
1 1 1 20  6   11 o 226.0359 30.50488 12.31535       4.141444  11.32024       4.195385  10.63806       63.30307 
1 1 1 20  6   12 o 150.1311 40.44015 3.772415       3.868140  7.144632       3.832048  -35.29037      69.64904 
1 1 1 20  6   13 o 219.8427 29.60803 10.09797       3.999190  12.21872       3.874150  -23.36543      61.62704 
1 1 1 20  6   14 o 318.3836 22.21252 24.53841       4.424051  21.28928       4.297610  23.31998       45.50219 
1 1 1 20  6   15 o 318.7416 21.94617 22.81961       4.307390  23.07530       4.318142  -1.828278      44.91891 
1 1 1 20  6   16 o 318.0053 21.91350 24.11025       4.385397  21.77370       4.212505  16.34891       44.91817 
1 1 1 20  6   17 o 281.7188 23.63384 13.63177       3.945975  23.37784       4.255802  -80.09760      50.37910 
1 1 1 20  6   18 o 121.7171 40.88031 2.514612       3.577989  4.716635       3.711928  -21.36610      67.50968 
1 1 1 20  6   19 o 154.3894 37.59699 3.110942       3.529082  9.147619       3.605462  -65.97817      64.66927 
1 1 1 20  6   20 o 73.64279 33.48788 -2.076098      3.293649  0.3859531      3.400428  -15.54827      56.51136 
1 1 1 20  6   21 o 81.06920 35.29913 0.7794120      3.333129  -0.4585925     3.316302  8.319580       58.41751 
1 1 1 20  6   22 o 145.1444 38.73570 4.688503       3.483086  6.606562       3.626136  -20.24915      67.65668 
1 1 1 20  6   23 o 94.97848 37.75992 4.021220       3.382865  -0.2196146     3.276095  33.81548       60.92685 
1 1 1 20  6   24 o 85.35598 35.82089 1.073567       3.233826  1.073512       3.171794  0.5281906      58.16889 
1 1 1 20  6   25 o 205.6108 28.05618 9.017263       3.471550  12.06375       3.498940  -35.04462      60.09597 
1 1 1 20  6   26 o 70.50754 32.05491 0.4147931      3.251711  -1.044818      2.904406  11.89006       53.28467 
1 1 1 20  6   27 o 66.18185 30.54910 -2.008852      3.145941  0.2389792      2.749358  -7.664322      50.68750 
1 1 1 20  7   0  o 148.6714 53.31958 -1.308718      6.044252  14.25909       6.471192  -101.1681      82.64306 
1 1 1 20  7   1  o 69.76585 33.38764 -1.933810      4.240778  -4.547943      3.976935  13.97403       58.21723 
1 1 1 20  7   2  o 157.5605 53.08825 6.916742       6.399867  6.569743       5.915887  3.167969       87.24403 
1 1 1 20  7   3  o 239.4161 46.37717 20.80151       6.975113  9.572872       6.346981  90.63896       87.57458 
1 1 1 20  7   4  o 450.5905 20.49992 42.67004       5.589759  49.04406       5.848914  -31.69516      41.70184 
1 1 1 20  7   5  f 160.7180 42.53048 6.584192       4.137118  6.270185       4.496167  2.788620       74.75343 
1 1 1 20  7   6  o 203.9490 34.48908 10.83840       4.143879  8.869163       4.275089  21.91557       69.03812 
1 1 1 20  7   7  o 213.8353 33.46962 10.65768       4.277444  10.87866       4.311000  -2.182480      68.17088 
1 1 1 20  7   8  o 506.2682 19.03430 56.91923       5.948596  57.49445       5.985677  -2.508636      38.48610 
1 1 1 20  7   9  o 340.4048 22.36992 26.84513       4.696303  25.29567       4.698616  10.63007       45.67557 
1 1 1 20  7   10 o 145.9503 41.67485 4.836076       3.939775  5.499532       3.980007  -6.878464      71.63904 
1 1 1 20  7   11 o 176.4957 37.48254 8.134739       3.995932  6.841833       3.958029  14.27084       70.24454 
1 1 1 20  7   12 o 232.5390 29.06338 14.00781       4.121438  10.95973       4.081000  30.87341       60.77089 
1 1 1 20  7   13 o 403.5793 19.89574 35.52160       4.897027  37.44984       5.036964  -10.58316      40.35329 
1 1 1 20  7   14 o 404.7644 19.76732 38.41915       4.988074  35.04498       4.909351  19.02884       40.13099 
1 1 1 20  7   15 o 108.7061 43.00890 3.004221       3.649152  -0.4855205     5.491210  6.322937       70.88136 
1 1 1 20  7   16 f 206.8525 30.59984 10.88527       3.811932  9.257318       3.804285  18.15704       63.01212 
1 1 1 20  7   17 o 188.4087 33.00146 10.19054       3.803171  6.988647       3.635539  35.97733       65.19633 
1 1 1 20  7   18 f 114.3071 40.32458 7.746044       3.597848  -1.539797      3.521936  83.76337       61.63171 
1 1 1 20  7   19 o 162.6235 36.91994 5.134599       3.581583  8.320760       3.699315  -35.55147      67.36436 
1 1 1 20  7   20 f 287.0879 32.82476 0.000000       0.000000  20.14058       4.059284  ?              ?        
1 1 1 20  7   21 o 100.8239 38.87831 1.923758       3.493564  2.274541       3.387335  -2.035606      63.31327 
1 1 1 20  7   22 o 268.2117 23.17386 17.66011       3.873515  16.07423       3.764462  13.12398       48.80007 
1 1 1 20  7   23 o 211.9560 27.55502 11.97952       3.572717  9.965698       3.502867  22.00555       58.96114 
1 1 1 20  7   24 f 250.1920 23.40622 13.90833       3.529840  16.09014       3.654315  -19.62366      50.14023 
1 1 1 20  7   25 o 122.0376 37.77993 3.477548       3.144266  4.800584       3.160401  -13.60376      63.08733 
1 1 1 20  7   26 o 234.7534 24.02433 13.55308       3.488455  13.39230       3.411228  0.3842316      52.29127 
1 1 1 20  7   27 o 66.34941 30.62080 0.7965630      3.182689  -1.855017      2.744703  19.27506       51.61062 
1 1 1 20  8   0  o 211.4848 50.24648 7.288795       6.124021  18.89421       6.939617  -88.68550      88.51175 
1 1 1 20  8   1  o 90.59350 42.30885 1.767671       5.873128  -6.797727      5.872883  32.61878       71.96198 
1 1 1 20  8   2  o 228.8601 47.87808 10.46731       6.784089  16.91984       6.390241  -56.21159      89.65046 
1 1 1 20  8   3  o 134.6689 52.05212 5.993266       6.607399  2.644600       5.818441  23.37157       84.64655 
1 1 1 20  8   4  o 118.8593 43.62789 3.432073       4.244207  2.740905       4.186056  5.906937       71.48873 
1 1 1 20  8   5  o 189.1856 38.23796 8.444990       4.364138  9.036931       4.302358  -6.515457      73.11443 
1 1 1 20  8   6  o 195.5700 36.26321 8.547762       4.162048  9.912784       4.316918  -14.16222      70.99139 
1 1 1 20  8   7  o 279.5030 26.56093 20.23927       4.588906  15.60087       4.511860  39.14473       55.78354 
1 1 1 20  8   8  o 393.4563 21.23470 39.42176       5.268948  30.48533       5.064195  51.96872       43.40321 
1 1 1 20  8   9  o 219.5033 32.13147 13.27853       4.292670  9.338409       4.199936  40.91649       65.95667 
1 1 1 20  8   10 o 145.1454 42.25719 4.727855       3.960470  5.552749       4.112526  -8.748093      72.29671 
1 1 1 20  8   11 o 174.6339 37.96903 5.535854       3.862970  9.461837       4.142941  -42.62260      69.86569 
1 1 1 20  8   12 o 191.0545 34.52253 7.170430       3.845127  10.31229       4.044192  -34.46289      67.45148 
1 1 1 20  8   13 o 262.4389 26.14535 14.40006       4.115667  17.19201       4.289311  -24.36382      54.50693 
1 1 1 20  8   14 o 355.2025 21.59584 26.51730       4.703746  30.38189       4.768786  -25.09326      44.13506 
1 1 1 20  8   15 o 234.3488 40.49416 13.39413       4.012027  0.000000       0.000000  ?              ?        
1 1 1 20  8   16 o 92.43678 38.45997 0.5497512      3.548067  1.133371       3.749324  -6.401558      63.55896 
1 1 1 20  8   17 o 120.6786 40.60955 5.601502       3.673638  1.478207       3.521048  39.93067       66.38643 
1 1 1 20  8   18 o 72.81719 33.51540 -0.1878185     3.482040  -2.673459      3.493945  13.44950       57.09240 
1 1 1 20  8   19 o 320.4452 21.57584 26.10313       4.390543  21.20298       4.147475  34.31500       44.57499 
1 1 1 20  8   20 o 72.39449 33.19704 -1.644794      3.303361  -0.5300161     3.458930  -8.105728      56.11575 
1 1 1 20  8   21 o 312.3818 20.60946 24.02574       3.997994  20.82913       3.945183  23.75323       42.65984 
1 1 1 20  8   22 o 230.1130 26.11722 13.19527       3.707450  12.11127       3.618590  10.43753       55.86089 
1 1 1 20  8   23 o 148.1988 37.12062 5.354933       3.378615  6.415596       3.431745  -11.65355      66.36200 
1 1 1 20  8   24 o 94.30817 37.25257 4.339895       3.272139  -0.2894498     3.170037  37.32642       59.79459 
1 1 1 20  8   25 o 145.0778 36.03562 5.576735       3.210646  5.925796       3.246442  -3.785721      64.71069 
1 1 1 20  8   26 o 165.5702 32.40888 6.040096       3.154891  8.699955       3.266833  -30.98332      63.00349 
1 1 1 20  8   27 f 129.8801 36.83949 8.504287       3.350906  2.165148       2.905442  65.81869       60.82455 
1 1 1 20  9   0  o 188.7354 39.19825 5.972692       4.276815  12.91864       4.621131  -68.77658      72.40520 
1 1 1 20  9   1  o 139.5062 51.85039 1.208060       5.623897  9.896537       6.427635  -57.54483      83.79018 
1 1 1 20  9   2  o 127.8243 50.42785 2.476951       5.692455  4.698215       6.117396  -15.11885      81.69943 
1 1 1 20  9   3  o 199.7499 53.26325 8.220521       7.009208  13.51278       6.464478  -41.60716      91.90600 
1 1 1 20  9   4  o 275.5455 43.65614 14.57011       7.550650  22.98912       6.917924  -73.74162      89.72160 
1 1 1 20  9   5  o 154.1064 43.48002 4.753845       4.439643  7.141431       4.239699  -22.55774      74.48592 
1 1 1 20  9   6  o 190.5325 36.91018 6.952872       4.174330  10.71898       4.236080  -40.35080      70.65810 
1 1 1 20  9   7  o 176.7908 38.69710 6.741117       4.162388  8.521029       4.090074  -19.30551      71.86031 
1 1 1 20  9   8  o 357.5476 22.92978 29.15738       5.084566  28.65247       5.033587  3.071472       46.90015 
1 1 1 20  9   9  o 390.2634 21.41772 30.15621       5.117720  38.51291       5.213834  -49.45770      43.89122 
1 1 1 20  9   10 o 205.2648 33.29140 12.75269       4.123874  7.210382       4.064584  59.54910       66.36616 
1 1 1 20  9   11 o 208.3322 33.04689 9.394962       4.122565  11.05653       4.134137  -17.99243      67.04572 
1 1 1 20  9   12 o 245.8910 28.07111 13.97422       4.181780  13.88012       4.228828  1.198257       58.75637 
1 1 1 20  9   13 o 161.0339 39.00901 9.111938       3.906558  3.721513       3.805627  57.94591       68.08224 
1 1 1 20  9   14 o 397.4669 24.43721 37.24368       7.414215  35.20768       5.168285  0.5422363      53.53405 
1 1 1 20  9   15 f 140.7434 49.35093 4.736591       3.765577  0.000000       0.000000  ?              ?        
1 1 1 20  9   16 o 103.7555 39.75005 5.463050       3.646331  -1.177352      3.515335  56.58792       63.65849 
1 1 1 20  9   17 o 217.7369 29.71563 15.38855       3.970592  7.214236       3.850128  85.99789       61.71693 
1 1 1 20  9   18 o 256.4911 25.65541 17.71392       4.113984  13.01362       3.945736  42.70171       54.36396 
1 1 1 20  9   19 o 107.2554 40.11589 0.6555682      3.580162  4.420158       3.608121  -31.62351      64.95861 
1 1 1 20  9   20 o 99.25448 39.12609 1.531571       3.552788  2.276139       3.537942  -5.632591      63.67764 
1 1 1 20  9   21 o 367.3900 19.52464 30.18109       4.449845  31.49997       4.417691  -8.649780      40.10413 
1 1 1 20  9   22 o 197.7095 29.56575 9.772108       3.599196  9.412267       3.436191  2.429626       61.85962 
1 1 1 20  9   23 o 77.78978 34.26398 2.440628       3.238165  -2.169968      3.189941  30.08482       56.66930 
1 1 1 20  9   24 o 78.93273 34.43270 -0.7893183     3.258506  1.483241       3.099446  -13.02316      56.26896 
1 1 1 20  9   25 o 107.6967 38.61109 3.433281       3.273646  2.850742       3.277212  5.086258       62.53290 
1 1 1 20  9   26 o 98.28437 37.08432 1.268838       3.127857  3.760339       3.045588  -20.50207      59.31150 
1 1 1 20  9   27 o 66.64345 30.68465 -0.8421865     3.003953  -0.4505630     2.856211  -0.5514832     50.85432 
1 1 1 20  9   28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  10  0  o 124.2130 44.87207 3.559004       4.418043  4.309920       4.449300  -5.827415      72.94279 
1 1 1 20  10  1  o 72.85922 34.45771 -3.704643      4.000624  -1.296852      4.242430  -13.21280      59.26779 
1 1 1 20  10  2  o 182.6743 52.56397 7.684988       6.050206  11.22185       6.529231  -26.11401      89.73019 
1 1 1 20  10  3  o 79.16446 38.32521 -2.784404      5.732250  -7.954622      5.837853  14.98218       66.66177 
1 1 1 20  10  4  o 123.0438 50.00338 4.611300       5.876714  0.9482196      6.077690  19.00268       80.80495 
1 1 1 20  10  5  o 268.2871 40.94009 23.12178       6.418387  12.00481       6.793461  96.24130       83.80968 
1 1 1 20  10  6  o 201.1778 35.49395 6.026477       4.016613  14.65372       4.572409  -87.61523      67.95083 
1 1 1 20  10  7  o 174.1102 39.68375 7.902944       4.068262  7.038410       4.324064  9.566498       73.00106 
1 1 1 20  10  8  o 329.2475 27.83046 26.29692       6.878095  24.27164       4.882993  1.874878       61.51060 
1 1 1 20  10  9  o 244.1571 29.76843 14.00568       4.407495  13.72675       4.423550  2.838165       62.48805 
1 1 1 20  10  10 f 277.5119 26.67277 19.15171       4.621997  16.28293       4.453009  23.64307       55.68181 
1 1 1 20  10  11 o 181.7430 38.08496 7.294043       4.185405  8.751761       4.127287  -15.91330      71.77668 
1 1 1 20  10  12 o 146.9279 42.19617 5.567274       4.088399  5.107600       4.009053  4.795990       72.43329 
1 1 1 20  10  13 o 332.3428 22.91383 24.92394       4.732371  25.11972       4.658463  -1.740845      46.99361 
1 1 1 20  10  14 o 214.9477 45.65597 0.000000       0.000000  11.65184       4.171547  ?              ?        
1 1 1 20  10  15 o 96.24298 41.14677 0.9036551      3.799394  -0.2854006     5.270788  -7.791283      68.88148 
1 1 1 20  10  16 o 200.8661 33.16664 7.214394       3.980020  12.14864       3.997044  -54.10962      66.19027 
1 1 1 20  10  17 o 112.2280 41.53656 3.256937       3.857141  2.186541       3.810902  9.184296       67.98309 
1 1 1 20  10  18 o 369.8343 30.09824 0.000000       0.000000  32.30799       4.840406  ?              ?        
1 1 1 20  10  19 o 218.0511 29.60273 10.74691       3.925572  12.09375       3.876489  -15.18512      62.54305 
1 1 1 20  10  20 o 205.4848 31.41841 10.40461       3.895790  10.31365       3.860007  0.6594543      65.37530 
1 1 1 20  10  21 o 123.9788 40.86432 5.199387       3.766279  2.965349       3.532759  21.46862       67.52731 
1 1 1 20  10  22 o 115.2852 40.21385 -0.8117648     3.473485  7.992773       3.596027  -78.56396      61.93008 
1 1 1 20  10  23 o 205.9457 29.23719 8.826845       3.645408  12.19148       3.615334  -38.93970      61.95796 
1 1 1 20  10  24 o 152.7609 36.96513 5.611953       3.561489  7.126297       3.375168  -18.02560      66.67859 
1 1 1 20  10  25 o 139.3307 40.50951 6.549451       4.356920  5.167476       3.285446  8.796524       69.64954 
1 1 1 20  10  26 o 87.70971 35.92761 0.9534328      3.093317  2.301605       3.135614  -10.07603      57.68038 
1 1 1 20  10  27 o 106.1802 37.26488 2.996512       3.113321  3.509514       2.965703  -4.508209      60.22848 
1 1 1 20  10  28 o 91.01257 38.91689 1.777261       3.895714  1.930757       3.904845  -0.8821106     61.48878 
1 1 1 20  11  0  o 99.87167 41.37617 6.597175       4.389831  -2.559745      4.020141  63.06970       67.02763 
1 1 1 20  11  1  o 307.2352 26.63101 20.59915       5.024457  23.97222       5.026300  -26.59375      56.64648 
1 1 1 20  11  2  o 162.9210 43.25563 6.087379       4.428189  8.017549       4.460466  -18.48969      75.69681 
1 1 1 20  11  3  f 288.1808 41.54914 21.94670       7.052627  19.96729       7.385301  19.91635       88.84985 
1 1 1 20  11  4  o 127.6701 50.85561 -1.871424      5.862969  9.431392       6.252768  -67.34097      81.57903 
1 1 1 20  11  5  o 267.8984 44.75475 24.71909       7.547119  13.33086       6.853509  86.70706       90.00948 
1 1 1 20  11  6  o 277.1765 39.08574 19.90998       6.356088  17.82663       6.727730  21.32495       83.11281 
1 1 1 20  11  7  o 145.7925 42.94992 6.331357       4.052343  4.296867       4.247495  19.01949       72.82352 
1 1 1 20  11  8  o 183.0238 38.15443 10.43193       4.121231  5.871496       4.264906  48.79027       70.81456 
1 1 1 20  11  9  o 114.5183 42.08655 2.829698       3.852264  2.720893       4.000380  -0.2313614     69.08630 
1 1 1 20  11  10 o 307.6319 24.22259 21.51268       4.454752  21.64417       4.727695  0.5152588      50.10459 
1 1 1 20  11  11 o 365.9705 32.62218 0.000000       0.000000  31.36011       5.181895  ?              ?        
1 1 1 20  11  12 o 252.9011 28.25068 14.36905       4.225229  15.34647       4.500480  -7.379272      59.40548 
1 1 1 20  11  13 o 436.4230 19.86187 46.43902       5.424097  39.37500       5.303836  37.04218       40.44853 
1 1 1 20  11  14 o 135.5323 50.48103 0.000000       0.000000  4.162795       4.015993  ?              ?        
1 1 1 20  11  15 o 131.2396 41.79051 7.131792       3.824557  1.318876       3.836185  54.80597       67.65970 
1 1 1 20  11  16 o 88.13496 37.78213 1.157259       3.686154  -0.4665843     3.700360  10.55939       62.58212 
1 1 1 20  11  17 o 267.1016 25.27753 18.44947       4.163006  14.63772       4.114164  33.89752       53.41161 
1 1 1 20  11  18 o 207.8030 30.94115 10.29489       3.746479  10.53553       3.999953  -0.4833221     64.38956 
1 1 1 20  11  19 o 164.1503 37.51881 5.056084       3.604551  9.120079       3.884713  -43.68228      68.17087 
1 1 1 20  11  20 o 217.7849 30.42605 10.79008       3.806357  12.52333       4.222842  -14.22678      64.44107 
1 1 1 20  11  21 o 98.78580 38.62550 3.199905       3.373578  0.6956364      3.491796  18.87822       62.53321 
1 1 1 20  11  22 o 131.2372 39.42535 5.178903       3.441730  4.141736       3.492908  10.48793       66.51896 
1 1 1 20  11  23 o 70.15674 32.41390 0.6286942      3.246748  -2.871541      3.371000  16.92575       54.42699 
1 1 1 20  11  24 o 82.46264 35.64727 1.228951       3.311413  0.1911515      3.370914  6.049187       57.92403 
1 1 1 20  11  25 o 155.4014 36.13716 9.689470       3.603895  4.211232       3.257282  58.25819       64.49606 
1 1 1 20  11  26 o 76.28857 33.63586 -1.563544      3.204551  2.170292       3.012705  -21.12227      54.60844 
1 1 1 20  11  27 o 114.4984 36.68832 2.469686       2.987653  5.200258       2.911005  -27.50729      59.84185 
1 1 1 20  11  28 o 82.32285 35.40619 2.366736       4.186440  0.7251102      2.765516  17.05259       58.10858 
1 1 1 20  12  0  o 143.4245 44.36331 7.128236       4.491830  4.376785       4.216613  24.21832       74.15066 
1 1 1 20  12  1  o 130.3309 43.78024 5.865103       4.379523  3.464911       4.002484  21.05360       72.05432 
1 1 1 20  12  2  f 200.4034 37.87027 5.564182       4.413750  15.49554       4.667593  -97.44460      70.15674 
1 1 1 20  12  3  o 132.9603 44.27721 10.34793       4.480711  -0.2139182     4.095171  90.84577       68.79398 
1 1 1 20  12  4  f 215.9654 49.26122 12.12636       6.420273  13.06151       6.485965  -7.431503      91.24449 
1 1 1 20  12  5  o 210.8359 50.19344 10.27574       6.170018  14.21161       6.817711  -29.14394      91.45480 
1 1 1 20  12  6  o 80.51724 38.37497 -5.944499      5.412506  -1.619053      5.200264  -13.37383      65.90926 
1 1 1 20  12  7  o 165.6010 51.73748 4.248497       5.638349  11.33203       6.194592  -53.73723      85.58564 
1 1 1 20  12  8  o 250.0564 29.53772 12.81167       4.310415  16.94817       4.701892  -36.49796      62.44090 
1 1 1 20  12  9  o 110.1631 41.81802 0.4681009      3.945167  4.377536       3.930684  -30.85217      67.93188 
1 1 1 20  12  10 o 168.5217 39.39603 12.00185       4.174792  2.711834       3.925086  95.20071       66.48615 
1 1 1 20  12  11 o 207.8847 33.67649 8.286572       4.077511  12.67077       4.321764  -45.65762      67.83347 
1 1 1 20  12  12 o 279.7333 25.72036 20.38577       4.427089  15.65891       4.399410  40.25481       54.28894 
1 1 1 20  12  13 o 111.6821 41.66981 4.699968       3.774684  0.2602680      3.979721  34.40302       67.31831 
1 1 1 20  12  14 o 174.9968 43.69422 7.901796       6.002180  7.801155       4.025983  -1.187119      79.82822 
1 1 1 20  12  15 o 263.2536 27.03885 13.95342       4.187384  18.65831       4.539487  -40.14436      57.05798 
1 1 1 20  12  16 o 244.2620 28.64001 16.52972       4.320128  11.69262       4.197011  46.60110       60.99146 
1 1 1 20  12  17 o 224.3623 29.96781 11.83420       4.018682  12.21417       4.116298  -3.144028      63.22557 
1 1 1 20  12  18 o 229.1607 28.13953 11.83517       3.880724  13.23452       3.952768  -14.00989      59.87445 
1 1 1 20  12  19 o 73.52566 33.74618 -2.248863      3.427522  0.1231524      3.581268  -14.61877      57.04034 
1 1 1 20  12  20 f 86.73263 36.87004 -0.3366494     3.451751  1.790591       3.477860  -14.64574      60.46983 
1 1 1 20  12  21 o 180.5685 33.52031 11.64532       3.706679  5.155595       3.532460  72.38922       63.66463 
1 1 1 20  12  22 o 227.6935 27.11931 16.08896       3.928335  9.662951       3.603152  63.94475       58.51160 
1 1 1 20  12  23 o 288.5193 22.72208 17.12434       3.991467  22.51830       4.077662  -44.26172      48.71027 
1 1 1 20  12  24 o 85.58137 36.30596 2.783527       3.339677  -0.5554853     3.355896  21.89184       58.64624 
1 1 1 20  12  25 o 86.42867 36.63537 -1.008609      3.427642  3.397331       3.380978  -28.36108      58.97542 
1 1 1 20  12  26 o 89.26758 36.91249 0.6581708      3.424246  2.757474       3.239851  -13.12051      58.79468 
1 1 1 20  12  27 o 189.1260 29.27455 9.509174       3.438020  9.387456       3.219877  -2.775009      62.44028 
1 1 1 20  12  28 o 114.2677 37.74405 4.427699       3.091623  3.735706       3.124901  6.521835       61.38143 
1 1 1 20  13  0  o 89.28282 39.34644 1.016588       4.302453  -0.3841349     4.185911  8.536255       64.56557 
1 1 1 20  13  1  o 92.84521 40.02223 -0.3430899     4.268161  1.779923       4.111856  -11.00170      65.37028 
1 1 1 20  13  2  o 263.9827 29.87718 20.05271       4.978001  14.17235       4.651772  50.45808       64.69590 
1 1 1 20  13  3  o 98.53445 40.87683 -1.124774      4.075162  4.047359       4.125009  -34.24490      66.44136 
1 1 1 20  13  4  o 148.4588 43.16432 4.262887       4.183932  7.493433       4.240496  -30.43387      73.05954 
1 1 1 20  13  5  o 94.72371 43.50280 -2.096380      5.669456  -0.7715289     6.009387  -8.130417      72.68882 
1 1 1 20  13  6  o 84.22997 39.92525 -5.284236      5.295451  -1.048718      5.929669  -21.29791      68.80017 
1 1 1 20  13  7  o 155.2596 51.62767 10.50277       5.993928  3.107161       5.646777  53.62782       83.89554 
1 1 1 20  13  8  o 237.8563 45.51287 14.07865       6.593692  15.42319       6.354403  -13.57556      89.69808 
1 1 1 20  13  9  o 244.3590 29.79874 14.50612       4.393179  13.78932       4.454689  7.626038       63.25413 
1 1 1 20  13  10 o 241.7833 30.04423 11.07187       4.325618  16.81156       4.497852  -55.29181      63.76246 
1 1 1 20  13  11 o 247.9109 28.86614 13.62522       4.223240  15.35005       4.502604  -14.44569      61.05630 
1 1 1 20  13  12 o 73.21765 34.28942 -5.133187      3.912647  0.6582167      3.892182  -27.74177      59.24627 
1 1 1 20  13  13 o 399.5191 21.47174 39.62146       5.344362  33.00704       5.260221  38.24655       44.10290 
1 1 1 20  13  14 f 107.6783 42.30071 1.390540       4.118062  2.939805       4.145082  -11.49097      69.01744 
1 1 1 20  13  15 o 139.9604 42.27221 5.885818       3.960701  4.161508       3.995655  16.47163       71.30040 
1 1 1 20  13  16 o 175.7768 37.98883 7.967189       4.019399  7.685874       4.022995  3.080154       71.39201 
1 1 1 20  13  17 o 326.4233 22.66836 27.76649       4.648887  21.67522       4.478930  42.89355       47.29716 
1 1 1 20  13  18 o 95.40334 39.52677 2.200677       3.834440  0.4774688      3.818831  11.76398       64.42294 
1 1 1 20  13  19 o 152.0891 40.55196 7.035767       3.877326  5.317488       3.914174  17.62865       70.81841 
1 1 1 20  13  20 o 78.01251 35.22102 2.989207       3.696316  -3.864137      3.551611  40.88205       59.34757 
1 1 1 20  13  21 o 221.0494 29.48391 10.25187       3.932938  13.78679       3.951432  -38.11317      63.09131 
1 1 1 20  13  22 o 227.8832 28.48494 12.97676       3.953329  12.66371       3.924726  2.939041       61.70334 
1 1 1 20  13  23 o 81.75780 35.91702 2.293756       3.506333  -1.441193      3.513595  22.09810       58.68785 
1 1 1 20  13  24 o 208.5086 30.37389 12.44372       3.847364  10.07596       3.780022  25.67969       65.14668 
1 1 1 20  13  25 o 119.5120 41.45841 2.447463       3.743770  6.179798       3.761480  -30.53881      66.45428 
1 1 1 20  13  26 o 83.92468 36.14250 1.684092       3.447124  0.7520933      3.372069  6.044914       57.83225 
1 1 1 20  13  27 o 114.0865 40.07412 1.478812       3.535998  6.750126       3.489393  -42.88334      63.07862 
1 1 1 20  13  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  14  0  o 99.93986 42.82006 -2.621989      4.747484  5.355158       4.730960  -43.41730      69.24400 
1 1 1 20  14  1  o 99.04273 42.34709 1.874595       4.699802  0.7118129      4.539257  7.533562       68.72038 
1 1 1 20  14  2  o 110.3619 44.06941 7.347048       4.831126  -1.178952      4.318071  59.32578       71.07605 
1 1 1 20  14  3  f 250.8062 33.14797 17.59549       5.119293  13.81015       4.947178  34.23840       71.37883 
1 1 1 20  14  4  o 227.9762 33.59423 7.974810       4.467069  18.46180       4.764484  -101.1221      68.47626 
1 1 1 20  14  5  o 164.2981 43.38558 2.525920       4.388833  12.37955       4.590786  -91.02242      70.97192 
1 1 1 20  14  6  o 126.2682 50.68238 -2.490431      5.830184  10.39672       6.305996  -75.28059      81.04192 
1 1 1 20  14  7  o 104.1886 46.26750 0.5569057      5.696822  -0.4190138     6.302227  -0.1219177     76.06799 
1 1 1 20  14  8  o 137.8481 51.12437 1.934497       5.737454  7.862485       5.892482  -38.46008      82.28214 
1 1 1 20  14  9  o 128.1595 49.71720 6.312013       5.863949  1.637396       5.456525  30.41540       80.36067 
1 1 1 20  14  10 o 90.99077 39.19283 -1.002786      3.904256  2.139281       4.125075  -21.52859      64.78079 
1 1 1 20  14  11 o 112.7911 42.32461 3.643964       3.934060  1.941268       4.085297  12.30129       68.84528 
1 1 1 20  14  12 o 153.7953 41.59111 5.503986       3.894567  6.938462       4.254364  -14.15771      72.66287 
1 1 1 20  14  13 o 220.1592 33.08735 11.72773       4.223760  11.88911       4.552898  1.292221       69.03993 
1 1 1 20  14  14 o 177.3481 38.93534 11.00373       4.115219  4.931799       4.218186  63.36995       70.08172 
1 1 1 20  14  15 o 68.89441 32.88591 -1.208718      3.817214  -4.926115      4.044300  12.78181       56.81555 
1 1 1 20  14  16 o 83.92171 37.19073 -0.8571714     3.667452  0.7137318      4.043952  -12.93833      61.92234 
1 1 1 20  14  17 o 142.3921 42.39247 0.7526349      3.856345  11.07425       4.211762  -95.95633      66.26518 
1 1 1 20  14  18 o 148.8327 42.73120 2.640024       3.968928  10.11768       4.363013  -70.00863      70.45793 
1 1 1 20  14  19 o 113.0224 41.73177 0.6805365      3.749827  5.890140       3.993497  -43.06758      67.22129 
1 1 1 20  14  20 o 94.78853 39.46647 -1.401232      3.724114  4.573576       3.971214  -41.94773      64.21278 
1 1 1 20  14  21 o 182.9821 35.87325 8.612584       3.923234  8.977126       3.929322  -3.987534      70.19150 
1 1 1 20  14  22 o 87.48994 38.18567 -2.165506      3.998145  3.355589       3.828331  -29.97411      61.96495 
1 1 1 20  14  23 o 82.95666 36.89307 2.675734       3.900830  -1.758770      3.733106  25.24843       60.38559 
1 1 1 20  14  24 o 107.8304 41.26783 0.1103961      3.920393  6.311838       3.792524  -43.82589      64.76290 
1 1 1 20  14  25 o 161.5630 39.84166 7.630866       4.042336  7.833491       3.896678  -3.491943      71.67457 
1 1 1 20  14  26 o 82.27481 36.47542 4.694924       3.883761  -2.305244      3.538677  39.74394       59.48371 
1 1 1 20  14  27 o 98.90380 40.41434 7.160131       3.990687  -1.077801      3.869550  50.70238       63.30742 
1 1 1 20  14  28 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  15  0  o 108.0823 44.11842 3.388624       4.773548  1.770570       4.583896  10.55407       70.78118 
1 1 1 20  15  1  o 95.71824 41.63970 2.862883       4.704718  -0.8876042     4.534936  20.96853       67.79696 
1 1 1 20  15  2  o 256.2767 33.59779 15.99204       5.233963  17.05891       5.191614  -10.75258      73.05734 
1 1 1 20  15  3  o 125.4189 46.11897 4.968710       4.872087  3.419414       4.569140  11.93032       74.59103 
1 1 1 20  15  4  o 112.0183 44.43718 3.749710       4.751815  1.972632       4.461413  12.96615       71.69114 
1 1 1 20  15  5  o 130.8328 45.54723 5.477914       4.583645  3.737883       4.480656  13.78410       74.26090 
1 1 1 20  15  6  o 208.3029 38.52937 10.11678       4.829709  12.15029       4.761480  -21.19182      76.46426 
1 1 1 20  15  7  o 146.7408 52.81030 4.214643       5.837154  8.182794       6.481391  -26.10567      85.51445 
1 1 1 20  15  8  o 115.9601 49.13186 -2.789662      5.764685  8.200657       6.545373  -60.10473      80.51277 
1 1 1 20  15  9  o 104.6566 43.12081 2.663690       4.514191  0.7436525      4.525989  11.94701       70.19499 
1 1 1 20  15  10 o 155.9794 55.24042 5.850329       6.832428  7.828324       6.546037  -11.73425      89.23987 
1 1 1 20  15  11 o 187.5827 47.69115 10.32698       6.761167  9.289267       4.833524  1.146072       86.15361 
1 1 1 20  15  12 o 83.95300 38.23403 -2.939760      4.207658  1.334629       4.580160  -24.87220      64.50242 
1 1 1 20  15  13 o 94.63203 40.97383 -0.3848676     4.380571  1.632995       4.476944  -12.21860      67.27480 
1 1 1 20  15  14 o 141.4749 45.03836 4.588108       4.369860  6.299047       4.532800  -14.84050      74.91214 
1 1 1 20  15  15 o 94.42297 40.70116 0.9341863      4.305593  0.5325209      4.356582  1.873978       66.62747 
1 1 1 20  15  16 o 94.50259 40.74479 1.447480       4.312880  0.6473240E-01  4.371876  7.403938       66.62752 
1 1 1 20  15  17 o 195.1701 38.34737 8.405518       4.545627  11.25687       4.411344  -30.62199      74.23352 
1 1 1 20  15  18 o 110.4431 42.94931 3.414355       4.299135  2.160655       4.152404  9.630562       69.43922 
1 1 1 20  15  19 o 109.0879 42.51160 4.019433       4.231347  1.564495       4.063885  18.20616       68.60891 
1 1 1 20  15  20 o 123.2263 43.29119 3.278871       4.113028  5.102690       4.085420  -14.49338      70.17469 
1 1 1 20  15  21 o 109.0984 42.60975 4.552220       4.201070  1.518596       4.142881  20.89278       68.14747 
1 1 1 20  15  22 o 159.8735 42.78309 10.06515       4.474350  5.367990       4.192025  41.61723       73.78483 
1 1 1 20  15  23 o 80.37375 36.60750 -1.080940      4.139151  0.7092244      3.907629  -6.611870      59.61503 
1 1 1 20  15  24 o 196.1309 37.27919 12.46408       4.475030  9.362419       4.271645  28.88441       74.18967 
1 1 1 20  15  25 o 129.7960 43.02650 7.767529       4.046467  3.295845       4.029466  35.47010       68.90202 
1 1 1 20  15  26 o 87.12566 37.79337 0.2882182      3.759753  2.800769       3.803345  -13.73509      59.90086 
1 1 1 20  15  27 o 79.21082 35.75195 2.376821       3.811719  -0.9118001     3.650967  16.52933       57.26620 
1 1 1 20  16  1  o 123.8291 46.09393 8.726427       4.760715  -0.9234981E-01 4.707371  60.59650       72.46833 
1 1 1 20  16  2  o 107.4475 44.15851 0.9532676      4.675777  3.921294       4.774848  -17.92829      70.89802 
1 1 1 20  16  3  o 126.3860 46.70092 5.852662       4.791535  2.903513       4.896062  19.85477       74.83036 
1 1 1 20  16  4  o 197.1984 47.93266 7.265192       4.899577  20.14382       7.519583  -84.76721      88.40490 
1 1 1 20  16  5  o 108.8184 44.28460 1.442806       4.635541  3.516445       4.754695  -13.22886      71.30048 
1 1 1 20  16  6  o 192.8602 42.18409 6.865588       4.831163  13.43054       4.984236  -61.40247      77.16933 
1 1 1 20  16  7  o 118.1610 44.62774 2.331931       4.376676  4.607260       4.572770  -17.07635      72.15161 
1 1 1 20  16  8  o 100.3414 42.29676 3.453833       4.485959  -0.7132525     4.506445  24.51070       68.72408 
1 1 1 20  16  9  o 157.8232 53.76322 4.223453       5.951736  11.23581       6.722304  -45.92879      87.42749 
1 1 1 20  16  10 o 225.8533 50.16516 9.520749       6.213847  21.54791       7.719239  -83.61588      92.51540 
1 1 1 20  16  11 o 100.5555 45.96299 -1.356305      6.554089  -0.4464297     6.270852  -1.476547      75.74720 
1 1 1 20  16  12 o 155.2952 54.60104 6.771651       6.691630  7.178152       6.363997  -2.276566      88.26351 
1 1 1 20  16  13 o 136.9668 45.87797 6.775903       4.608990  3.341581       4.568473  27.74654       75.04124 
1 1 1 20  16  14 o 144.9159 45.94439 6.418376       4.629801  5.110168       4.638044  10.94107       76.39245 
1 1 1 20  16  15 o 182.3672 42.08508 2.716958       4.573124  15.58792       4.761066  -117.9694      69.29819 
1 1 1 20  16  16 o 115.8112 46.76038 2.844703       4.555027  3.029877       6.183055  -8.797752      75.99567 
1 1 1 20  16  17 o 289.4658 28.78933 21.62527       5.240261  19.04925       4.972294  18.50720       62.18625 
1 1 1 20  16  18 o 103.1848 42.49918 0.5147680E-01  4.354414  4.060344       4.423637  -25.19547      68.51530 
1 1 1 20  16  19 o 101.6903 42.27501 7.327878       4.540137  -2.770115      4.268811  64.07946       67.86417 
1 1 1 20  16  20 o 101.9882 41.70752 -3.678277      4.105135  8.682966       4.276598  -82.00864      65.34253 
1 1 1 20  16  21 o 109.4340 42.76225 -0.8316798     4.145680  7.444101       4.263401  -56.53800      67.39549 
1 1 1 20  16  22 o 234.6894 32.08894 16.95930       4.617676  12.10615       4.484025  47.35548       70.10451 
1 1 1 20  16  23 o 106.7693 42.05252 0.8361860      4.041032  5.829461       4.145821  -32.82792      66.41085 
1 1 1 20  16  24 o 139.2411 45.31400 6.881026       4.376140  5.975029       4.606717  7.877518       73.39753 
1 1 1 20  16  25 o 171.3030 39.78324 6.619044       4.110579  11.58963       4.182942  -47.10122      71.71001 
1 1 1 20  16  26 o 122.4394 41.60973 7.365983       3.780221  2.835145       3.768813  35.68140       65.93951 
1 1 1 20  16  27 o 60.70922 29.81323 -2.473057      3.877988  -3.976042      3.867853  4.459579       50.05672 
1 1 1 20  17  2  o 111.1752 44.62271 6.766754       4.716564  -0.7336311     4.669397  46.35192       70.92284 
1 1 1 20  17  3  o 127.1217 46.68684 2.702848       4.707106  6.634737       4.958008  -27.46822      74.90366 
1 1 1 20  17  4  o 115.1982 45.57751 6.673535       4.877733  0.1185950      4.777587  41.06315       72.56569 
1 1 1 20  17  5  o 261.8799 32.74424 18.48923       5.151188  15.77816       5.257145  26.95313       71.59615 
1 1 1 20  17  6  f 102.1729 42.72765 -2.328975      4.389953  6.505646       4.688718  -55.17873      69.11975 
1 1 1 20  17  7  o 142.4692 47.06438 4.239405       4.786690  7.581971       4.879909  -25.81647      76.88565 
1 1 1 20  17  8  o 72.60489 34.69087 -2.514891      4.316198  -3.467348      4.470211  2.013763       59.17623 
1 1 1 20  17  9  o 159.9391 44.14366 7.898246       4.553498  6.372813       4.492696  13.83801       76.31986 
1 1 1 20  17  10 o 113.7833 48.93041 6.606071       6.213741  -2.485369      6.248024  41.37576       78.66006 
1 1 1 20  17  11 o 108.6301 47.53167 -1.482901      5.833671  4.708790       6.388352  -30.49862      77.38024 
1 1 1 20  17  12 f 104.4532 46.76966 1.263359       6.346385  -0.3184255     6.138283  7.598503       76.02290 
1 1 1 20  17  13 o 122.7728 51.77391 8.743435       7.748498  -0.2123088     6.046354  46.37985       84.62108 
1 1 1 20  17  14 o 99.89563 42.82902 -1.220214      4.666771  3.872080       4.831285  -28.99258      69.69396 
1 1 1 20  17  15 o 133.6177 46.97530 0.4511445      4.678980  10.18964       4.990285  -72.36553      74.10171 
1 1 1 20  17  16 o 146.3051 50.28851 9.885666       4.826934  -0.9563825E-01 6.622513  59.97780       77.38731 
1 1 1 20  17  17 f 123.1715 45.19631 2.715548       4.458475  5.719769       4.589890  -21.84037      72.66621 
1 1 1 20  17  18 o 87.96725 39.37382 1.345900       4.363046  -1.132715      4.475215  11.24615       64.31564 
1 1 1 20  17  19 o 85.55235 38.49746 0.5299378      4.295747  -0.4655459     4.276474  4.965714       62.88752 
1 1 1 20  17  20 o 114.5831 49.02921 0.000000       0.000000  3.374643       4.382824  ?              ?        
1 1 1 20  17  21 o 93.96822 40.33569 2.339219       4.186123  0.8566387      4.253948  7.671562       64.38232 
1 1 1 20  17  22 o 91.39886 39.50345 3.359171       4.127010  -0.3148665     4.075943  20.02432       63.10795 
1 1 1 20  17  23 o 90.61750 39.15229 1.552901       3.983378  1.439850       4.069831  0.1693802      62.35812 
1 1 1 20  17  24 o 88.37798 38.62074 3.751567       4.027030  -0.7855027     3.994697  23.53252       61.43147 
1 1 1 20  17  25 o 75.92743 35.45586 -3.536811      4.021510  3.083730       4.232132  -27.68152      58.18108 
1 1 1 20  17  26 o 71.47330 34.05563 -1.617929      4.096141  -0.7160071     4.249978  -4.030754      55.33284 
1 1 1 20  17  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  18  3  o 84.05156 38.48841 -3.096628      4.350576  2.304628       4.710805  -27.25575      64.09538 
1 1 1 20  18  4  o 91.16567 40.27432 -1.422522      4.373572  2.699177       4.575727  -22.49332      65.80046 
1 1 1 20  18  5  o 81.75237 37.90817 -1.597502      4.435512  -0.6822676     4.749385  -6.444778      62.91687 
1 1 1 20  18  6  o 96.47554 41.58488 2.290005       4.442867  0.2752306E-01  4.602883  11.12022       67.20773 
1 1 1 20  18  7  o 135.6993 46.20093 6.118044       4.661441  4.446908       4.645976  12.81459       75.21974 
1 1 1 20  18  8  o 139.6250 46.21951 8.588392       4.678124  2.825094       4.641985  45.04636       74.57525 
1 1 1 20  18  9  o 83.14969 38.20780 1.430781       4.488606  -3.240285      4.525647  20.54787       63.46626 
1 1 1 20  18  10 o 82.11592 37.87811 -4.595328      4.394528  2.760454       4.591649  -35.00549      63.79928 
1 1 1 20  18  11 o 84.11564 38.53587 5.183410       4.646066  -6.277223      4.437575  56.54041       65.25225 
1 1 1 20  18  12 f 95.94589 43.90141 0.2946846      5.912255  -1.103199      5.820460  5.891876       71.68629 
1 1 1 20  18  13 o 160.8044 47.09378 5.341252       4.799223  10.30560       5.223058  -39.57155      79.27080 
1 1 1 20  18  14 o 99.19290 45.58146 4.209735       6.643329  -4.317112      6.209247  32.81048       74.97896 
1 1 1 20  18  15 o 84.71095 40.83210 -6.603529      6.591339  -1.475445      6.209772  -11.42500      68.39034 
1 1 1 20  18  16 o 92.56416 43.38474 -1.420247      4.432456  0.000000       0.000000  ?              ?        
1 1 1 20  18  17 f 278.9496 29.20744 18.20071       4.923375  20.60071       5.036900  -19.67223      64.40321 
1 1 1 20  18  18 o 121.0518 44.69344 5.651816       4.487100  2.981409       4.382697  18.82811       71.38102 
1 1 1 20  18  19 o 76.57548 35.91098 -0.2546366     4.218956  -2.597371      4.396582  7.919083       59.48220 
1 1 1 20  18  20 o 87.35928 39.16939 -3.047438      4.318861  4.464956       4.470810  -36.76596      63.84513 
1 1 1 20  18  21 o 125.1171 45.25506 4.391321       4.345922  5.996861       4.697252  -10.46291      71.84830 
1 1 1 20  18  22 o 224.9447 37.09981 11.81127       4.838784  17.14252       5.170747  -45.68645      77.86752 
1 1 1 20  18  23 o 80.52377 37.48606 -2.417752      4.381899  2.088152       4.742851  -19.20803      61.02824 
1 1 1 20  18  24 o 167.2672 45.94233 12.89310       4.925144  6.858850       4.899620  46.39956       76.78822 
1 1 1 20  18  25 o 82.98888 38.36181 -1.492367      4.599512  2.673181       4.682931  -15.61056      60.87664 
1 1 1 20  18  26 o 80.38718 37.64035 -1.489262      4.607541  2.331966       4.795798  -13.40359      59.51859 
1 1 1 20  19  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  19  5  o 72.68322 34.66512 -5.300526      4.176525  0.7616919      4.530845  -26.61690      59.55048 
1 1 1 20  19  6  o 76.15748 35.99687 -1.516430      4.557755  -2.570712      4.406242  5.425354       60.36615 
1 1 1 20  19  7  o 70.37864 33.87979 -2.906632      4.378271  -3.326709      4.355926  1.691566       57.57426 
1 1 1 20  19  8  o 101.1583 42.70474 -0.5127916     4.588227  4.213349       4.600548  -26.52530      68.60970 
1 1 1 20  19  9  o 116.0922 44.88464 1.758003       4.556559  5.333415       4.629917  -23.76963      71.73148 
1 1 1 20  19  10 o 68.63631 33.21328 -3.404024      4.219757  -3.725672      4.453177  -1.242134      56.87532 
1 1 1 20  19  11 o 168.8376 43.84299 10.49561       4.684700  6.150553       4.581105  38.99043       76.43736 
1 1 1 20  19  12 o 165.2203 44.04525 2.885167       4.387801  14.18789       4.837443  -97.85124      71.65481 
1 1 1 20  19  13 o 121.4917 50.52074 0.6846853      6.211584  7.590971       6.358469  -32.13168      79.45035 
1 1 1 20  19  14 o 190.8875 55.12605 15.63821       7.106168  9.349514       6.694444  38.40987       92.14909 
1 1 1 20  19  15 o 97.82028 45.64896 -1.885908      7.209193  0.5882640      6.480338  -4.056648      73.42033 
1 1 1 20  19  16 o 96.81399 45.69802 -3.468753      6.864357  1.881326       7.531460  -17.42006      74.03940 
1 1 1 20  19  17 o 140.7207 49.49171 2.797146       5.466637  10.16817       5.256552  -47.53934      77.55033 
1 1 1 20  19  18 o 107.7062 47.11325 7.520309       4.982306  -9.697466      8.002161  47.63557       71.96916 
1 1 1 20  19  19 o 100.6709 45.46911 -0.6384687     4.874805  9.108799       8.879143  -40.19871      76.70345 
1 1 1 20  19  20 o 105.9821 44.64092 2.115714       4.845388  4.087266       5.175602  -10.49840      70.03188 
1 1 1 20  19  21 o 102.5133 44.17477 5.188284       5.001442  -0.7840301E-01 5.201581  23.47388       69.13413 
1 1 1 20  19  22 o 91.55116 43.95340 0.000000       0.000000  -0.6531850     5.117163  ?              ?        
1 1 1 20  19  23 o 117.2804 46.87437 9.690057       5.127203  0.9123480      5.184844  44.24876       71.47406 
1 1 1 20  19  24 o 108.7792 45.56044 0.4642368      4.887832  9.513474       5.494922  -40.91234      70.46428 
1 1 1 20  19  25 o 75.22418 36.21510 -1.377108      4.726426  -0.9904131     5.308092  -3.608299      57.93811 
1 1 1 20  20  6  o 93.53520 42.01931 0.4627172      5.010864  0.6815873      5.156819  -1.777588      67.74302 
1 1 1 20  20  7  o 127.9645 48.24762 2.356054       5.159371  7.833247       5.285373  -33.66375      76.22859 
1 1 1 20  20  8  o 104.5613 44.80428 6.044762       5.236661  -1.571998      5.143523  37.96887       71.57922 
1 1 1 20  20  9  o 148.3003 49.28893 3.598930       5.101511  11.30313       5.519205  -52.71050      79.05737 
1 1 1 20  20  10 o 85.82151 41.69135 0.000000       0.000000  -4.231419      4.949875  ?              ?        
1 1 1 20  20  11 o 131.0744 54.51614 5.459937       5.175285  0.000000       0.000000  ?              ?        
1 1 1 20  20  12 o 78.22237 37.15449 -1.254344      4.899225  -3.279573      4.873913  7.330124       62.05314 
1 1 1 20  20  13 o 102.6980 43.89347 2.073279       4.935529  2.039431       4.979686  -0.2939606E-01 69.92197 
1 1 1 20  20  14 o 75.91233 36.51660 -1.432055      5.332756  -4.323573      4.810295  13.18842       61.59206 
1 1 1 20  20  15 o 143.3787 61.48180 0.000000       0.000000  8.844880       6.918972  ?              ?        
1 1 1 20  20  16 o 121.5633 55.75933 4.234588       6.746067  0.000000       0.000000  ?              ?        
1 1 1 20  20  17 o 109.9323 52.21742 2.006717       9.917222  0.2779431      9.408578  4.343605       80.79153 
1 1 1 20  20  18 o 100.4555 48.91943 -5.204810      10.20308  0.4203835      9.439061  -7.381058      77.01701 
1 1 1 20  20  19 f 93.20378 42.68245 -1.578359      5.467898  3.162226       5.657017  -17.80041      68.12297 
1 1 1 20  20  20 o 101.8335 44.69083 4.084236       5.365897  1.081022       5.479163  11.96736       69.55447 
1 1 1 20  20  21 o 90.98368 41.70910 3.229415       5.319926  -0.8843347     5.335878  14.28322       65.54194 
1 1 1 20  20  22 o 97.00562 43.24154 1.232119       5.203864  3.945132       5.341257  -10.49023      66.72864 
1 1 1 20  20  23 o 80.98277 39.66020 -4.134165      5.145428  7.410084       12.25728  -30.63056      67.76669 
1 1 1 20  20  24 o 100.3525 44.25403 3.890295       5.302526  3.551901       5.452142  1.205444       66.69622 
1 1 1 20  20  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  21  8  o 76.00771 36.59017 -3.350449      5.040312  -2.573650      5.149859  -3.215210      61.12854 
1 1 1 20  21  9  o 117.6451 47.76133 8.605096       5.619131  0.8158260E-01  5.285173  45.36768       75.22446 
1 1 1 20  21  10 o 112.9090 46.57166 8.410398       5.575897  -0.4864378     5.026915  47.93920       74.01292 
1 1 1 20  21  11 o 79.87798 38.09713 0.3113108      5.298686  -4.593795      5.194449  16.43107       63.26811 
1 1 1 20  21  12 f 91.90032 41.91540 4.675039       5.380635  -3.538000      5.206534  33.18291       68.04429 
1 1 1 20  21  13 o 108.7847 45.56533 3.019819       5.220200  3.376242       5.114163  -1.499619      71.42072 
1 1 1 20  21  14 o 120.3870 47.82579 2.019457       5.380075  7.275101       5.291664  -27.98876      74.43889 
1 1 1 20  21  15 o 101.1287 47.52058 0.000000       0.000000  0.5430481      5.376795  ?              ?        
1 1 1 20  21  16 o 75.21077 37.18750 -10.34969      6.780873  -2.012809      6.046632  -12.68404      62.30103 
1 1 1 20  21  17 o 90.20010 42.78051 -3.629054      6.411104  2.333121       6.452488  -16.25874      68.47964 
1 1 1 20  21  18 o 124.4461 49.76159 0.3654551      5.633666  12.25696       6.011153  -57.11227      76.66122 
1 1 1 20  21  19 o 100.4808 49.80853 -0.5906651E-01 11.17611  -2.497219      12.35159  1.305099       75.72411 
1 1 1 20  21  20 o 91.60187 46.09028 -5.689981      11.49206  -6.530756      12.23582  -0.4382553     71.57617 
1 1 1 20  21  21 o 96.87554 43.79599 2.954570       5.571044  1.892489       5.674514  3.431526       67.32101 
1 1 1 20  21  22 o 90.00742 41.69591 6.465124       5.529214  -3.565439      5.523382  31.87552       65.62554 
1 1 1 20  21  23 o 84.46261 40.16902 -0.1491490     6.043026  0.9593571      5.491539  -1.402824      62.30836 
1 1 1 20  21  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  22  10 o 104.8872 45.51881 -1.268185      5.394189  6.777229       5.591993  -35.96155      71.97366 
1 1 1 20  22  11 o 80.17014 38.44466 -1.135617      5.484248  -3.445240      5.516679  6.527367       63.13305 
1 1 1 20  22  12 o 96.44284 43.56938 2.891625       5.493967  -0.4305153     5.612775  12.05247       68.95125 
1 1 1 20  22  13 o 88.34120 41.26854 2.685729       5.550979  -3.488872      5.638309  19.94313       66.59267 
1 1 1 20  22  14 o 84.57348 39.79082 -2.150020      5.270763  0.6249009      5.455339  -9.998871      64.38829 
1 1 1 20  22  15 o 91.56641 42.76984 0.3091340      6.711565  0.9199229E-01  5.483739  5.244484       68.02746 
1 1 1 20  22  16 o 99.27267 44.60662 0.6201308      5.581349  3.779608       5.893236  -12.23506      69.65137 
1 1 1 20  22  17 o 81.03261 38.90694 -1.728251      5.565967  -1.689112      5.786979  -1.175346      62.81964 
1 1 1 20  22  18 o 119.4118 50.64798 6.715791       6.568857  5.043979       6.458528  6.034225       75.97015 
1 1 1 20  22  19 o 95.30361 44.17305 3.613717       6.278298  -0.7853719E-01 6.153457  10.91704       68.31094 
1 1 1 20  22  20 o 87.47038 42.65239 0.4434037E-01  5.788114  -7.419209      13.44186  -5.350655      67.25123 
1 1 1 20  22  21 o 98.03236 49.26379 -1.090584      13.66482  2.410231       12.98926  -2.320961      72.65405 
1 1 1 20  22  22 o 81.35877 40.45275 0.000000       0.000000  -3.077168      5.630353  ?              ?        
1 1 1 20  23  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 20  23  14 o 149.0996 51.27609 9.997631       5.598798  7.275207       5.882789  17.40070       79.84300 
1 1 1 20  23  15 o 85.14921 40.75156 -3.883087      6.372513  1.380149       5.883451  -11.50121      64.99815 
1 1 1 20  23  16 o 83.55760 40.09190 3.419245       5.880126  -6.097371      6.129480  23.42005       64.57388 
1 1 1 20  23  17 o 97.30049 44.15509 0.7212503E-01  5.664012  4.969876       5.903455  -16.67069      68.19836 
1 1 1 20  23  18 o 106.8361 47.34243 9.139744       6.623909  0.5984645      5.889804  28.29539       72.20677 
1 1 1 20  23  19 o 80.02676 39.75808 -3.142256      5.923580  -8.347718      13.06365  -10.77635      64.30519 
1 1 1 20  23  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -13 2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -13 3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -13 4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -13 5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -13 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -12 0  o 81.93886 37.79300 -1.576778      4.329787  3.756427       4.620873  -20.68978      59.76163 
1 1 1 21  -12 1  o 83.53495 38.04669 -2.405482      4.130270  5.514883       4.586118  -34.11057      61.07030 
1 1 1 21  -12 2  o 153.2240 44.28241 7.362235       4.190713  9.702774       4.752379  -12.11263      73.96597 
1 1 1 21  -12 3  o 67.27499 32.62343 -2.365120      4.004967  -2.427968      4.512806  -3.357315      53.94357 
1 1 1 21  -12 4  o 90.15776 39.75649 -0.5351855     4.069659  4.869889       4.667926  -26.92892      63.22921 
1 1 1 21  -12 5  o 93.42325 41.07450 0.2014032      4.283271  4.655195       4.996027  -21.75401      64.88979 
1 1 1 21  -12 6  o 87.71694 39.51325 0.8829160      4.347347  1.531377       4.735099  -4.254349      62.39664 
1 1 1 21  -12 7  o 101.4625 42.02695 3.757601       4.039754  2.264595       4.679559  6.893456       65.30148 
1 1 1 21  -12 8  o 137.2845 45.44226 3.661833       4.211087  10.78845       4.869397  -47.93159      72.84225 
1 1 1 21  -12 9  o 85.50787 38.59111 3.063795       4.211541  -1.572905      4.488688  18.74741       61.33046 
1 1 1 21  -12 10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -11 0  o 109.3374 48.54811 0.000000       0.000000  4.931588       4.651619  ?              ?        
1 1 1 21  -11 1  o 98.56209 41.36584 3.139910       4.216490  2.792370       4.327621  1.638420       64.12440 
1 1 1 21  -11 2  o 98.60344 42.01997 5.825558       4.418880  -0.3510915     4.627563  29.75787       65.20084 
1 1 1 21  -11 3  o 67.51382 32.66658 -2.108107      4.144423  -2.747962      4.231918  1.374001       54.17886 
1 1 1 21  -11 4  o 98.21492 41.14887 1.657879       4.075927  3.942245       4.369517  -13.01370      64.47272 
1 1 1 21  -11 5  o 86.29266 38.43610 1.764845       3.933697  0.2461380      4.421658  4.694023       60.98682 
1 1 1 21  -11 6  o 91.70376 40.31165 6.086367       4.265536  -3.503875      4.610048  44.22129       63.78357 
1 1 1 21  -11 7  o 119.3398 45.26855 7.622751       4.391475  1.560534       4.870756  37.04992       69.80521 
1 1 1 21  -11 8  o 127.0224 45.72968 9.938371       4.558183  1.070827       4.642814  59.17190       70.59300 
1 1 1 21  -11 9  o 166.6508 44.80827 9.803386       4.591645  8.151910       4.885673  16.78951       77.17186 
1 1 1 21  -11 10 f 109.1799 43.45874 7.554771       4.308122  -0.6312205     4.527680  48.61185       67.40813 
1 1 1 21  -11 11 o 121.8762 44.94306 4.388501       4.311828  5.747406       4.672481  -8.368279      70.81163 
1 1 1 21  -11 12 o 58.47630 29.04301 -6.110013      4.051602  -3.971166      4.067382  -5.872887      50.25372 
1 1 1 21  -10 0  o 81.64208 37.17480 -0.4722422     3.991919  1.821525       4.306452  -11.40915      59.39958 
1 1 1 21  -10 1  o 117.3109 44.67102 6.456329       4.478491  3.195212       4.526392  19.93275       69.37601 
1 1 1 21  -10 2  o 72.56640 34.41280 -2.525636      4.003876  -0.2029174     4.334122  -11.07382      56.91251 
1 1 1 21  -10 3  o 75.07368 35.31928 -2.389904      4.131878  0.1701955      4.319334  -11.30061      58.19342 
1 1 1 21  -10 4  o 95.68027 40.87818 0.1708345E-01  4.129566  4.281525       4.486005  -24.34510      65.22227 
1 1 1 21  -10 5  o 102.2373 42.02628 3.482170       4.241407  1.926037       4.320662  8.793869       66.36246 
1 1 1 21  -10 6  o 90.22357 39.61570 1.991900       4.168912  0.2332756      4.368214  7.707382       63.35085 
1 1 1 21  -10 7  o 66.25539 32.23596 -5.518004      3.984813  -0.7654707     4.523959  -20.45785      55.73806 
1 1 1 21  -10 8  o 92.98915 40.30733 6.575986       4.169538  -4.253402      4.431951  56.25208       64.16260 
1 1 1 21  -10 9  o 157.1470 44.72490 9.934839       4.403025  5.416726       4.752888  40.01339       74.47372 
1 1 1 21  -10 10 o 92.63995 40.58326 1.545286       4.269863  1.345237       4.661643  -0.8806992     64.55775 
1 1 1 21  -10 11 o 79.72791 36.71528 -2.501393      4.004531  2.263568       4.411946  -23.70009      60.53783 
1 1 1 21  -10 12 o 95.12184 40.46673 3.942218       3.986630  -0.5791861     4.402454  22.72635       64.03511 
1 1 1 21  -10 13 o 113.9598 47.68188 4.067729       3.993960  0.000000       0.000000  ?              ?        
1 1 1 21  -10 14 o 72.72586 34.35545 -2.666028      4.014271  -0.1680366     4.128343  -10.70403      56.97062 
1 1 1 21  -9  0  o 102.4597 42.12484 7.222867       4.255814  -1.447815      4.348764  49.83483       65.82883 
1 1 1 21  -9  1  o 87.64156 41.70662 0.000000       0.000000  -1.235683      4.394864  ?              ?        
1 1 1 21  -9  2  o 100.3535 41.88843 1.929095       4.269538  3.130682       4.421617  -7.206238      66.19147 
1 1 1 21  -9  3  o 120.9321 44.21919 5.891173       4.244348  3.296945       4.407137  18.02282       69.97173 
1 1 1 21  -9  4  o 79.78002 36.57196 1.537119       3.939127  -2.446613      4.272928  15.32880       59.62048 
1 1 1 21  -9  5  o 90.07648 39.36757 2.671207       4.142879  -0.3956593     4.194489  15.67612       63.14050 
1 1 1 21  -9  6  f 211.9001 36.67052 11.01108       4.524060  13.88777       4.777852  -25.14749      75.71610 
1 1 1 21  -9  7  o 78.46930 36.12878 0.4568433      3.997054  -1.679478      4.121469  8.596870       59.29419 
1 1 1 21  -9  8  o 225.7640 35.25034 15.26416       4.735929  12.14817       4.815896  33.08174       74.94140 
1 1 1 21  -9  9  o 97.52182 40.96361 -0.1530715     3.977449  4.591168       4.449731  -30.16779      66.01907 
1 1 1 21  -9  10 o 75.89743 35.38593 -5.227211      3.900753  3.710741       4.287476  -44.08980      60.54547 
1 1 1 21  -9  11 o 90.08759 39.45686 1.435788       4.065176  0.4360135      4.365153  3.292786       63.52722 
1 1 1 21  -9  12 o 71.95289 34.18604 -3.356703      4.005010  -0.3238572     4.295349  -14.19028      57.44081 
1 1 1 21  -9  13 o 134.4499 47.25995 5.584538       4.089139  7.020859       6.457166  -4.116867      76.55641 
1 1 1 21  -9  14 f 112.6940 42.94677 3.857535       4.007584  3.565515       4.339066  1.436356       68.19827 
1 1 1 21  -9  15 o 88.14988 39.06550 -1.097991      4.228192  2.885607       4.250519  -19.81129      62.86914 
1 1 1 21  -9  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -8  0  o 93.52366 40.46419 3.626095       4.276204  -0.3984599     4.348999  20.45925       64.38214 
1 1 1 21  -8  1  f 84.28895 38.13582 -1.153063      4.113768  1.980958       4.451697  -16.49094      61.93697 
1 1 1 21  -8  2  o 129.2827 44.58609 3.167542       4.168061  7.850008       4.529553  -34.56088      71.58344 
1 1 1 21  -8  3  o 103.3099 42.01397 3.605654       4.123597  1.658998       4.326787  11.09415       66.63298 
1 1 1 21  -8  4  o 261.2907 30.27295 20.37604       4.859932  14.56032       4.773386  54.04732       67.60813 
1 1 1 21  -8  5  o 162.4963 43.19164 5.899640       4.296311  10.00516       4.572474  -35.78976      74.94720 
1 1 1 21  -8  6  o 171.9886 41.95853 9.654998       4.409883  7.400463       4.462740  22.05003       75.46935 
1 1 1 21  -8  7  o 108.7231 42.89701 2.137519       4.151371  4.059234       4.388682  -13.41180      68.53570 
1 1 1 21  -8  8  o 94.53214 40.38335 -0.2549650     4.146510  3.219736       4.240138  -20.32238      65.05963 
1 1 1 21  -8  9  o 114.5848 43.65044 2.605539       4.333988  4.660484       4.266725  -13.88058      69.58060 
1 1 1 21  -8  10 o 137.6024 52.45504 10.72227       6.095522  1.691906       6.336030  47.86552       81.31350 
1 1 1 21  -8  11 o 110.9514 48.03436 3.757736       5.720704  1.439728       6.526903  7.088402       75.52957 
1 1 1 21  -8  12 o 105.4845 46.23964 1.397305       5.590549  2.573898       6.009943  -6.635880      73.50979 
1 1 1 21  -8  13 o 151.2469 53.78925 12.95964       6.283680  2.733889       6.405888  58.81557       83.64534 
1 1 1 21  -8  14 o 89.47622 41.66776 2.399055       5.387126  -4.252076      5.912097  19.73456       67.57281 
1 1 1 21  -8  15 o 137.7696 50.94110 4.316447       5.485740  9.282842       6.089365  -27.42829      80.22954 
1 1 1 21  -8  16 o 94.24021 42.74701 -1.632681      5.316428  3.160002       5.508260  -19.64743      68.70772 
1 1 1 21  -8  17 o 102.5666 44.98162 1.754925       5.526981  2.542835       5.441879  -3.037613      70.83663 
1 1 1 21  -7  0  o 114.0125 43.29766 5.792803       4.079708  1.720651       4.381632  26.90608       68.12727 
1 1 1 21  -7  1  o 97.25085 40.93240 1.520089       4.058953  2.498185       4.358409  -7.029877      65.35693 
1 1 1 21  -7  2  o 94.24371 40.41750 2.096425       3.945386  0.5921620      4.585788  4.427109       64.82381 
1 1 1 21  -7  3  f 92.72067 39.99427 4.552726       4.170481  -2.214434      4.204129  37.83103       64.57884 
1 1 1 21  -7  4  o 98.82470 41.55380 5.235559       4.215757  -1.995224      4.437726  40.85048       66.33592 
1 1 1 21  -7  5  o 77.89033 36.16923 -2.939358      4.033072  0.7768237      4.381204  -19.69696      60.72070 
1 1 1 21  -7  6  o 154.2087 45.00299 4.364691       4.347224  10.20449       4.832944  -48.92786      75.49685 
1 1 1 21  -7  7  o 124.9031 50.57845 6.564816       6.166581  2.121369       6.011901  22.71658       79.87807 
1 1 1 21  -7  8  o 102.8612 45.96172 -0.1116978     5.862236  2.088643       6.132453  -10.20894      74.01287 
1 1 1 21  -7  9  o 99.90297 45.08894 2.371816       6.088154  -1.255600      5.783074  15.89884       73.05464 
1 1 1 21  -7  10 o 144.1246 51.72620 9.191243       5.785494  3.785139       5.979703  33.11850       81.89586 
1 1 1 21  -7  11 o 148.9880 52.23708 8.553104       5.672960  5.513579       6.310491  19.47264       83.04388 
1 1 1 21  -7  12 o 87.85977 39.60960 0.9678552      5.891129  -0.3378591     3.854517  19.37269       66.40875 
1 1 1 21  -7  13 o 87.53671 40.10569 0.3423626      4.156836  -2.172719      6.341575  -5.050842      66.18832 
1 1 1 21  -7  14 o 123.0788 48.70116 4.472179       5.708886  4.235723       5.333760  2.005508       76.94878 
1 1 1 21  -7  15 o 84.25494 39.67238 0.8126367      5.513012  -3.823917      5.196247  18.28080       65.82656 
1 1 1 21  -7  16 o 89.81023 41.94375 1.658645       5.585271  -3.588446      5.979861  15.25150       68.07296 
1 1 1 21  -7  17 o 91.59133 42.30049 0.4944535      5.826723  -0.8331497     5.441345  6.775238       68.38046 
1 1 1 21  -7  18 o 123.8310 50.12962 4.047017       5.700760  6.195337       6.300550  -10.51325      77.98084 
1 1 1 21  -6  0  o 109.8831 43.33986 4.390164       4.196627  2.005363       4.526598  14.11095       68.62746 
1 1 1 21  -6  1  o 148.2854 44.14227 7.374429       4.245446  5.697853       4.487431  15.40843       74.01305 
1 1 1 21  -6  2  o 160.4456 43.44558 3.194445       4.169525  13.02358       4.745107  -86.43734      71.81950 
1 1 1 21  -6  3  o 114.7727 43.62238 1.853017       4.081189  5.430717       4.530613  -26.73872      70.27438 
1 1 1 21  -6  4  o 114.2796 44.09579 2.637929       4.290897  4.059452       4.575463  -10.73602      70.88394 
1 1 1 21  -6  5  o 279.4327 42.81976 22.82586       7.107495  19.59363       7.267398  29.38373       92.19177 
1 1 1 21  -6  6  o 166.1310 52.70493 9.124902       5.959513  7.879177       6.244710  9.329071       86.70155 
1 1 1 21  -6  7  o 209.1437 51.12537 14.98939       6.569175  10.89686       6.583126  31.91592       91.69051 
1 1 1 21  -6  8  o 73.25922 35.94242 -5.216025      5.846360  -6.454825      5.360175  7.614861       62.28974 
1 1 1 21  -6  9  o 334.1310 26.28732 30.34371       5.318045  22.71181       5.495692  58.06827       57.45982 
1 1 1 21  -6  10 o 118.4138 49.18829 6.964104       5.745079  -1.267226      6.173158  39.04890       77.88992 
1 1 1 21  -6  11 o 98.00983 44.25681 1.973725       5.475102  -2.104735      6.003938  13.16490       71.89840 
1 1 1 21  -6  12 o 149.1376 61.19295 0.000000       0.000000  7.623291       6.401969  ?              ?        
1 1 1 21  -6  13 o 104.3223 45.91579 -1.399486      5.825500  4.052011       5.698551  -23.00140      73.74274 
1 1 1 21  -6  14 o 118.7694 47.88955 7.018677       5.711202  1.066750       5.189600  34.01088       76.28913 
1 1 1 21  -6  15 o 82.95735 38.07138 -0.5547172     5.552019  -0.7664101     3.826315  14.30626       63.93318 
1 1 1 21  -6  16 o 106.5920 41.65886 0.9600191      3.917692  4.780057       4.065943  -27.53231      66.77571 
1 1 1 21  -6  17 o 95.27618 39.54021 -0.1559950     3.768472  3.950825       3.911896  -27.12447      63.55383 
1 1 1 21  -6  18 o 184.7375 37.81847 7.272771       4.094512  11.75981       4.287800  -44.63853      72.04620 
1 1 1 21  -6  19 o 91.59001 38.87361 0.6057687      3.882268  2.329300       3.801304  -9.800545      62.35266 
1 1 1 21  -5  0  o 143.5105 44.45026 7.221372       4.207820  4.928932       4.536831  20.07430       73.47548 
1 1 1 21  -5  1  o 91.63347 39.73905 1.170985       4.043722  0.6440908      4.328031  0.8624115      64.43018 
1 1 1 21  -5  2  o 118.4373 44.48062 7.635040       4.337104  -0.5365078     4.525296  56.70148       69.73791 
1 1 1 21  -5  3  o 289.8454 43.19276 24.92435       7.317205  20.42984       7.760617  43.37074       93.59298 
1 1 1 21  -5  4  o 109.1688 47.84355 3.540895       6.002945  -1.020185      6.405028  17.38790       76.97976 
1 1 1 21  -5  5  o 98.48247 44.85460 -0.5061952     5.738154  -0.4198835     6.377504  -4.560280      73.62054 
1 1 1 21  -5  6  f 244.8347 47.10266 17.83417       6.757774  15.13402       7.038983  25.42836       93.16440 
1 1 1 21  -5  7  o 100.6902 43.01835 2.317135       4.137020  -0.9055238     5.782902  4.839325       70.04731 
1 1 1 21  -5  8  o 96.95617 43.88691 0.3350083      5.489527  -1.211763      5.861266  3.751709       72.11098 
1 1 1 21  -5  9  f 185.7095 53.15334 10.17753       6.433214  10.28572       6.434725  -0.7897034     90.62605 
1 1 1 21  -5  10 o 210.9289 49.08707 11.71157       6.195671  13.49738       6.413437  -13.10751      90.35455 
1 1 1 21  -5  11 f 190.6803 52.61242 8.566650       6.151472  13.52649       6.740190  -34.21483      90.61496 
1 1 1 21  -5  12 o 111.2632 45.13945 0.3999349      6.027943  3.678610       4.181942  -8.281784      72.62384 
1 1 1 21  -5  13 o 163.6884 41.33197 11.17280       4.182064  3.419439       4.212006  75.20813       69.60427 
1 1 1 21  -5  14 o 209.9091 34.29608 13.85218       4.407563  8.902582       4.221756  50.39642       70.09258 
1 1 1 21  -5  15 o 151.4671 41.02434 6.911375       3.928287  5.909021       3.970006  10.09506       71.37225 
1 1 1 21  -5  16 o 146.6797 52.45277 0.000000       0.000000  6.950604       4.271412  ?              ?        
1 1 1 21  -5  17 o 102.5932 40.91996 3.851627       3.951085  0.9357156      3.891615  20.43253       65.74545 
1 1 1 21  -5  18 o 181.8576 38.07763 11.61794       4.303727  6.893106       4.025382  46.37172       71.85069 
1 1 1 21  -5  19 o 267.5952 27.45771 20.85968       4.598742  14.87979       4.394715  52.30029       60.76992 
1 1 1 21  -5  20 o 98.41898 39.59090 5.189561       3.733764  -0.5252869     3.672752  39.88347       63.06586 
1 1 1 21  -4  0  o 93.60885 40.14941 1.305130       4.001340  1.015895       4.372360  -0.9316711     64.99676 
1 1 1 21  -4  1  o 91.21981 39.87650 0.4856900      4.091737  0.8290282      4.494771  -4.962395      65.08648 
1 1 1 21  -4  2  o 211.6354 50.82415 12.84163       6.409476  13.49534       6.782591  -2.075256      92.48601 
1 1 1 21  -4  3  o 221.1265 49.67805 13.94303       6.396489  13.94400       6.930720  4.641129       92.83643 
1 1 1 21  -4  4  o 108.4285 47.26935 1.821758       5.556131  0.5509644      6.511423  0.1402054      76.56180 
1 1 1 21  -4  5  o 86.91756 38.76010 -0.4054195E-01 3.994070  -0.3791011     4.536870  -3.308052      64.19849 
1 1 1 21  -4  6  o 215.9755 48.04314 8.402471       6.024390  18.36304       6.549132  -78.77386      87.11699 
1 1 1 21  -4  7  o 144.9297 52.29203 4.853716       5.977116  7.049739       6.061403  -13.95584      84.22600 
1 1 1 21  -4  8  o 93.03165 42.67671 -4.739264      5.466645  2.868985       5.723590  -33.40276      71.49921 
1 1 1 21  -4  9  o 173.6986 46.66779 8.756161       6.118691  8.132153       4.511289  0.2824402      82.41388 
1 1 1 21  -4  10 o 148.8197 42.96877 4.321192       3.966286  7.999725       4.449615  -34.52032      73.22540 
1 1 1 21  -4  11 o 79.73960 36.38391 1.426042       3.773588  -4.082497      4.253975  22.51733       60.79192 
1 1 1 21  -4  12 o 233.6310 30.81735 9.961122       4.245626  16.96544       4.478568  -68.65785      65.41392 
1 1 1 21  -4  13 o 223.1074 32.12490 15.56587       4.324149  9.014592       4.311966  68.03755       67.14504 
1 1 1 21  -4  14 o 198.9971 35.56411 10.23915       4.055738  9.964874       4.426477  6.634064       71.63197 
1 1 1 21  -4  15 o 216.7739 32.43873 13.29550       4.160559  10.14655       4.299095  35.43657       68.19777 
1 1 1 21  -4  16 o 92.95537 38.86382 0.5166394      3.732342  2.191329       3.763972  -11.20180      63.03285 
1 1 1 21  -4  17 o 107.8960 40.34351 0.3348059      3.543813  5.841370       3.732333  -45.07420      64.52561 
1 1 1 21  -4  18 o 159.2634 39.85031 6.133115       3.898819  7.897540       3.955830  -17.85815      71.16521 
1 1 1 21  -4  19 o 84.32832 37.14763 2.485865       3.807404  -1.492560      3.749942  22.90128       60.68423 
1 1 1 21  -4  20 o 109.1553 41.36415 0.4757843      3.795585  6.059350       3.904541  -42.05930      65.78651 
1 1 1 21  -4  21 o 76.43964 35.07349 -0.7541749     3.792634  -0.4254671     3.765596  -1.340988      57.79018 
1 1 1 21  -3  0  o 215.6530 36.27248 16.06067       4.633494  7.984858       4.728469  81.63527       71.91015 
1 1 1 21  -3  1  o 122.1295 49.46016 2.853636       5.529233  4.508723       6.167266  -11.04711      79.11391 
1 1 1 21  -3  2  o 199.5984 51.73846 14.44999       6.331829  8.603224       6.592624  46.27028       89.86276 
1 1 1 21  -3  3  o 100.5299 44.65691 -2.252486      5.313272  3.500172       5.873143  -30.14596      73.71696 
1 1 1 21  -3  4  o 100.2850 41.33237 2.609869       4.073349  0.5649684      4.240926  11.96658       67.08980 
1 1 1 21  -3  5  o 121.2492 49.32864 1.795985       5.518620  4.867231       6.181884  -19.59466      79.58619 
1 1 1 21  -3  6  o 95.67592 43.67631 -5.627374      5.466870  5.018198       6.110437  -49.99143      73.96596 
1 1 1 21  -3  7  o 123.1428 50.41430 3.825337       6.368239  2.580016       5.912781  8.552765       81.11134 
1 1 1 21  -3  8  o 110.4724 42.50845 5.049732       4.064338  0.1646530      4.147449  35.53621       68.36737 
1 1 1 21  -3  9  o 125.1621 43.37565 1.870087       3.908526  6.612636       4.339705  -41.46440      70.77522 
1 1 1 21  -3  10 o 125.8487 43.18045 3.713939       3.827106  4.517859       4.357845  -8.681938      71.14840 
1 1 1 21  -3  11 o 147.8978 41.57417 3.961436       3.788076  8.035380       4.185694  -40.09370      71.04482 
1 1 1 21  -3  12 o 125.1253 43.02530 6.587910       3.963092  1.203984       4.117725  44.73410       69.10059 
1 1 1 21  -3  13 o 83.36519 36.82796 -1.550253      3.634597  1.517101       3.852207  -20.58677      61.34323 
1 1 1 21  -3  14 o 167.8594 38.56118 7.675440       3.715337  6.859964       4.188375  10.85684       71.03799 
1 1 1 21  -3  15 o 168.4516 39.34716 4.426439       3.807279  11.42700       4.313677  -70.24815      69.61105 
1 1 1 21  -3  16 o 119.4116 41.61176 2.006719       3.661665  5.710293       3.916260  -32.69169      67.70494 
1 1 1 21  -3  17 o 89.65051 38.24946 2.294937       3.764226  -0.4124655     3.741215  17.20640       62.32233 
1 1 1 21  -3  18 o 117.7213 41.72173 6.111736       3.800492  1.366632       3.827209  38.98880       66.82034 
1 1 1 21  -3  19 f 119.2988 41.45948 1.539180       3.699985  6.377550       3.809610  -41.44927      66.68536 
1 1 1 21  -3  20 o 102.5105 40.35070 3.193807       3.772793  1.907963       3.759009  9.208717       64.70275 
1 1 1 21  -3  21 o 247.5915 28.83999 15.43581       4.347500  15.27239       4.345693  1.612671       63.47366 
1 1 1 21  -3  22 o 73.76431 34.70398 -9.502469      4.934972  2.566089       3.551983  -33.03210      57.46816 
1 1 1 21  -2  0  o 100.6038 42.34779 0.1543714      4.351145  3.263146       4.658421  -20.16299      68.71818 
1 1 1 21  -2  1  o 106.8824 46.84831 2.048091       5.743759  0.1892830E-01  6.160347  6.547729       75.82346 
1 1 1 21  -2  2  o 106.5515 47.32333 7.912787       6.323268  -6.407808      6.188299  63.45949       77.82107 
1 1 1 21  -2  3  o 157.9903 43.35947 6.691525       4.169539  6.823925       4.620093  -0.3677979     75.38123 
1 1 1 21  -2  4  o 180.6409 52.52055 16.62908       6.198672  2.161757       6.273611  105.0242       82.62272 
1 1 1 21  -2  5  o 121.5523 49.42740 4.457204       5.686725  1.454037       6.010763  14.70621       79.44431 
1 1 1 21  -2  6  o 138.1993 50.65154 3.075240       5.393806  7.295549       6.012061  -29.51346      82.21316 
1 1 1 21  -2  7  o 280.4300 26.84885 15.45297       4.412337  22.04066       4.845092  -52.61685      57.04327 
1 1 1 21  -2  8  o 391.9130 21.97202 38.47316       5.347732  31.87172       5.293225  39.22595       45.37787 
1 1 1 21  -2  9  o 97.66315 40.38813 5.462705       3.947868  -3.059414      4.023281  57.47216       64.91441 
1 1 1 21  -2  10 o 115.4941 43.03257 3.416825       3.839189  2.510810       4.493149  2.961647       70.17278 
1 1 1 21  -2  11 f 205.8556 46.07396 11.34344       4.056273  0.000000       0.000000  ?              ?        
1 1 1 21  -2  12 o 99.36407 39.90354 -0.2701038     3.723624  3.783835       3.786829  -30.27176      64.81579 
1 1 1 21  -2  13 o 104.9250 40.56398 2.129829       3.756485  2.428674       3.745393  -2.232292      66.02872 
1 1 1 21  -2  14 o 146.8151 42.29220 5.532138       3.759319  5.952342       4.448630  -4.034180      72.71481 
1 1 1 21  -2  15 o 235.2574 29.16306 14.82846       4.156045  11.73583       4.173705  31.96027       62.42256 
1 1 1 21  -2  16 o 158.2764 39.98299 4.776678       3.829371  8.719242       4.030853  -40.28165      70.36136 
1 1 1 21  -2  17 o 155.5895 40.00938 6.760605       3.768501  6.223473       4.008597  6.403976       70.93664 
1 1 1 21  -2  18 o 72.48141 33.56552 1.526351       3.616029  -3.923496      3.538584  28.73210       56.99264 
1 1 1 21  -2  19 o 110.0356 40.86514 3.280174       3.721898  2.917049       3.711490  2.921272       66.04547 
1 1 1 21  -2  20 o 77.41582 34.96819 -1.880092      3.594190  1.054466       3.555961  -15.63804      57.96309 
1 1 1 21  -2  21 o 83.16904 36.59334 2.833330       3.654828  -1.936999      3.657772  27.58171       59.80053 
1 1 1 21  -2  22 o 276.7016 26.16011 18.93316       4.450293  18.61478       4.423644  2.429779       56.99202 
1 1 1 21  -2  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  -1  0  o 101.1233 45.70810 -3.342788      6.246838  3.072708       6.001432  -23.84781      74.62511 
1 1 1 21  -1  1  o 197.6678 52.44465 16.85762       6.775607  6.601011       6.319929  75.50359       89.20548 
1 1 1 21  -1  2  o 130.4256 50.72494 -1.426267      5.539132  11.57935       6.322543  -80.86132      80.97678 
1 1 1 21  -1  3  o 119.9359 49.18363 2.898809       5.532139  2.891423       6.216900  -3.329468      79.26215 
1 1 1 21  -1  4  o 240.7851 46.81787 21.29930       6.676988  9.556996       6.806911  96.75816       87.52996 
1 1 1 21  -1  5  o 154.5383 52.13459 13.23800       5.833533  -0.5576115     6.020617  94.13992       80.26389 
1 1 1 21  -1  6  o 126.9991 43.19070 1.614844       3.828236  7.073817       4.356524  -49.92387      70.63857 
1 1 1 21  -1  7  o 98.89531 40.50423 1.550321       3.779528  1.144966       4.163371  -0.7332001     66.42033 
1 1 1 21  -1  8  o 223.3304 32.03215 8.304760       4.156367  16.17531       4.483730  -78.49432      65.91089 
1 1 1 21  -1  9  o 190.2944 35.54128 4.754567       3.782797  14.37137       4.360936  -99.36559      65.75536 
1 1 1 21  -1  10 o 101.3138 40.79672 0.3041611E-01  3.648835  3.874406       4.304201  -33.61749      67.37566 
1 1 1 21  -1  11 o 297.2155 25.58008 20.37372       4.509255  20.60714       4.850008  0.7745667      53.67182 
1 1 1 21  -1  12 o 134.2104 42.71873 4.848732       3.896155  4.368824       4.118585  3.769119       71.32967 
1 1 1 21  -1  13 o 116.5377 42.50510 2.966389       4.057230  3.427597       3.927989  -3.000977      69.35957 
1 1 1 21  -1  14 o 125.0676 49.06563 3.581638       3.925998  0.000000       0.000000  ?              ?        
1 1 1 21  -1  15 o 99.23157 39.79468 2.425790       3.747776  1.030712       3.710292  10.56906       64.87158 
1 1 1 21  -1  16 o 74.05548 34.05072 -2.592245      3.500365  0.2438928      3.681601  -17.30214      57.78085 
1 1 1 21  -1  17 o 120.5235 40.72812 5.898158       3.561584  1.453672       3.672787  39.85693       65.78352 
1 1 1 21  -1  18 o 336.4634 22.19447 25.29514       4.447761  27.55832       4.783442  -12.82974      46.21767 
1 1 1 21  -1  19 o 89.87631 37.29895 -3.157976      3.264344  6.582026       3.589465  -75.22195      59.69720 
1 1 1 21  -1  20 o 223.9082 31.14384 16.64962       4.672307  9.812923       3.860520  60.24001       66.16225 
1 1 1 21  -1  21 o 69.80788 32.50861 -3.152039      3.417182  0.5237473      3.438490  -18.56776      54.92743 
1 1 1 21  -1  22 o 80.58662 35.70975 4.089810       3.576892  -3.469503      3.506778  45.45222       58.87318 
1 1 1 21  -1  23 o 178.3642 35.93974 7.168442       3.794358  10.20915       3.885069  -32.46671      69.24883 
1 1 1 21  0   0  o 118.1808 49.32252 3.854752       6.008645  1.682541       6.033114  10.69559       79.04758 
1 1 1 21  0   1  f 141.3632 53.06603 6.593924       6.292284  4.252526       6.309803  13.66695       85.07648 
1 1 1 21  0   2  o 181.1345 42.25430 12.30558       4.720660  5.225844       4.602327  67.69632       74.64523 
1 1 1 21  0   3  o 159.5661 52.28765 2.190243       5.598551  13.88291       6.425182  -83.31754      84.08856 
1 1 1 21  0   4  o 129.0166 50.23562 5.029586       5.460642  2.295976       6.173332  12.85503       80.84763 
1 1 1 21  0   5  o 373.2973 23.34510 33.15931       5.336162  30.70951       5.422526  16.03897       48.21770 
1 1 1 21  0   6  o 217.1457 32.99404 13.48922       4.223242  9.013845       4.390933  48.32336       67.91730 
1 1 1 21  0   7  o 428.0262 21.07862 46.80256       5.702121  36.64025       5.464361  54.07709       43.20967 
1 1 1 21  0   8  o 125.6486 43.14066 6.527529       4.086497  1.096203       4.032882  47.31400       69.76494 
1 1 1 21  0   9  o 294.4645 25.53261 18.95525       4.456165  21.15714       4.798407  -15.46201      53.20720 
1 1 1 21  0   10 o 220.3620 31.62418 8.214041       3.891639  16.19253       4.593399  -77.66638      64.75372 
1 1 1 21  0   11 o 519.4987 19.49105 63.18651       6.185065  58.33256       6.358464  22.49969       39.72041 
1 1 1 21  0   12 o 270.5240 26.24391 17.95805       4.238080  15.90589       4.468606  20.07495       55.63337 
1 1 1 21  0   13 o 131.0168 45.74791 9.891973       5.583781  1.428074       3.966604  73.09859       76.30838 
1 1 1 21  0   14 o 118.7150 47.36604 2.870399       3.716133  0.000000       0.000000  ?              ?        
1 1 1 21  0   15 o 168.0150 38.38404 8.804671       3.911251  5.670564       3.914073  33.87936       70.00330 
1 1 1 21  0   16 o 77.99255 35.47683 0.6128385      3.744773  -2.546360      3.772622  16.73155       59.67815 
1 1 1 21  0   17 o 160.5399 39.52800 6.651361       3.870435  6.791370       3.950391  -1.241791      71.14568 
1 1 1 21  0   18 o 490.2226 19.25945 58.40667       5.808841  51.28621       5.882475  34.50763       39.58733 
1 1 1 21  0   19 o 82.39133 35.90828 -1.509449      3.258684  2.595825       3.672806  -30.56586      59.76264 
1 1 1 21  0   20 o 157.0830 37.31635 8.414884       3.622230  4.874610       3.543073  38.58795       66.98891 
1 1 1 21  0   21 o 234.9708 26.61343 12.18982       3.730486  14.69852       3.896705  -23.89980      57.50695 
1 1 1 21  0   22 o 84.38275 35.92925 1.739662       3.304025  0.8170953E-01  3.294855  11.14324       58.39117 
1 1 1 21  0   23 o 113.2955 39.23946 3.475146       3.347083  3.643438       3.375193  -1.562599      63.90798 
1 1 1 21  0   24 f 288.1658 23.32218 21.08822       4.115770  18.94749       4.151188  18.74884       50.14255 
1 1 1 21  1   0  o 356.6522 33.33813 33.04022       7.341445  29.63014       7.240057  22.49930       72.91693 
1 1 1 21  1   1  o 109.4156 46.83499 -1.160555      5.535542  4.392971       5.792390  -29.61908      76.27911 
1 1 1 21  1   2  o 293.4217 27.86043 18.00930       4.912115  22.97054       5.114550  -39.05157      59.56943 
1 1 1 21  1   3  o 208.7434 50.67162 22.33870       6.877805  3.849102       6.168774  139.6688       82.66199 
1 1 1 21  1   4  o 202.2218 50.67686 2.615426       5.998512  21.99945       6.756074  -147.7716      80.56219 
1 1 1 21  1   5  o 208.6376 36.34988 11.08260       4.517960  10.25807       4.549392  8.852203       72.91695 
1 1 1 21  1   6  o 334.8296 23.81768 28.86090       4.855235  22.26932       4.976354  47.43808       49.99831 
1 1 1 21  1   7  o 436.8363 20.71348 46.46530       5.618715  39.80406       5.575378  35.28894       42.33543 
1 1 1 21  1   8  o 311.1790 24.62745 22.91561       4.688238  21.41628       4.742469  11.75339       51.06107 
1 1 1 21  1   9  o 148.6605 41.23437 4.860610       3.779231  6.352366       4.112821  -15.75212      71.48244 
1 1 1 21  1   10 o 498.2750 19.94697 58.78205       6.166374  53.04482       6.139623  26.58984       40.58486 
1 1 1 21  1   11 o 103.8560 40.87271 2.238460       3.788227  1.455538       3.943058  4.547310       66.93337 
1 1 1 21  1   12 o 296.9629 24.56075 23.85293       4.454238  16.52348       4.514298  59.45453       52.48752 
1 1 1 21  1   13 o 113.8785 47.56527 0.000000       0.000000  1.735235       3.964148  ?              ?        
1 1 1 21  1   14 o 390.8470 24.35261 35.97953       4.995788  33.30291       7.478962  35.03598       57.23615 
1 1 1 21  1   15 o 430.5431 20.01421 50.14180       5.551092  35.30173       5.134570  77.69412       41.17670 
1 1 1 21  1   16 o 239.6132 28.43009 13.15636       4.011281  14.24255       4.289721  -8.165741      60.59520 
1 1 1 21  1   17 o 265.1028 26.51391 13.77346       4.154752  19.72906       4.465521  -51.28944      56.63262 
1 1 1 21  1   18 o 424.8532 20.00446 42.49710       5.207029  39.93654       5.309001  14.82687       41.08545 
1 1 1 21  1   19 o 212.6875 31.02785 9.415011       3.859827  13.07191       4.097009  -37.50002      65.01903 
1 1 1 21  1   20 o 244.5372 26.93506 14.19906       3.917235  14.65422       4.127457  -1.861542      58.07452 
1 1 1 21  1   21 o 79.88071 37.67669 -2.079549      3.436692  0.000000       0.000000  ?              ?        
1 1 1 21  1   22 o 95.57693 39.14457 2.864497       3.557174  0.4180039      3.853030  14.53305       63.00719 
1 1 1 21  1   23 o 133.6124 42.81464 7.618272       5.018517  4.205647       3.443530  25.09952       72.53403 
1 1 1 21  1   24 o 174.9565 34.21403 8.846908       3.573281  7.512892       3.587006  15.60257       67.02764 
1 1 1 21  2   0  o 189.7516 52.55219 13.35878       6.393953  7.674448       6.401389  42.77579       89.57329 
1 1 1 21  2   1  o 207.6761 48.32804 13.84242       6.218717  9.907350       6.004066  32.04924       88.42067 
1 1 1 21  2   2  o 330.4349 25.97661 25.36149       5.324435  25.71526       5.240148  -3.317932      54.50095 
1 1 1 21  2   3  f 70.80775 35.06310 -10.52363      5.964977  -5.654871      5.560223  -8.236656      62.05425 
1 1 1 21  2   4  o 245.9745 45.86932 14.03919       6.852462  17.24260       6.635724  -28.96407      90.83369 
1 1 1 21  2   5  o 157.6988 41.36475 5.126970       4.004901  7.620643       4.193378  -25.43631      72.54137 
1 1 1 21  2   6  o 152.1940 42.60107 6.306896       4.111816  5.398609       4.251698  8.749466       73.53837 
1 1 1 21  2   7  o 205.7198 35.46402 11.43825       4.372677  9.019155       4.351910  25.64729       70.84054 
1 1 1 21  2   8  o 157.2572 41.34228 8.381946       4.183361  4.207448       3.994086  42.73985       71.63926 
1 1 1 21  2   9  o 112.1311 42.63299 0.1148402      3.938293  5.270551       4.276316  -43.11809      69.44331 
1 1 1 21  2   10 o 86.37757 37.66219 -0.2780192     3.754838  0.1362740      3.838078  -3.582794      62.82098 
1 1 1 21  2   11 o 156.6784 40.27377 6.061315       3.860105  6.197553       4.015544  -1.489822      71.39995 
1 1 1 21  2   12 o 84.72276 36.75945 1.414366       3.468085  -1.551205      3.701223  16.52432       61.05333 
1 1 1 21  2   13 f 82.23754 38.93621 0.000000       0.000000  -3.470781      3.735888  ?              ?        
1 1 1 21  2   14 o 103.0227 40.07861 2.859749       3.592948  0.9594803      3.771901  13.39995       65.41761 
1 1 1 21  2   15 o 352.8396 21.30493 28.59444       4.591628  28.13419       4.692752  3.682251       43.75835 
1 1 1 21  2   16 o 222.5250 29.56534 13.71512       3.956254  9.934537       4.004626  40.86682       62.61867 
1 1 1 21  2   17 o 129.6476 41.66347 5.753385       3.854348  2.993583       3.748872  26.12794       69.01546 
1 1 1 21  2   18 o 98.81709 39.36472 -1.235100      3.538868  5.069191       3.715929  -49.82901      63.51253 
1 1 1 21  2   19 o 113.6984 40.97631 4.730741       3.660085  1.545341       3.729898  26.54615       66.35029 
1 1 1 21  2   20 o 151.1933 39.90170 3.173803       3.757609  9.261218       3.836078  -61.87017      67.34467 
1 1 1 21  2   21 o 227.6808 28.29459 12.51039       3.890359  12.88092       3.930393  -3.420883      61.05115 
1 1 1 21  2   22 o 144.8531 39.42464 5.760160       3.631447  5.838257       3.641625  -0.7738495     68.59348 
1 1 1 21  2   23 o 107.5479 39.62529 1.779439       3.495456  4.281388       3.469299  -20.48367      63.76193 
1 1 1 21  2   24 o 118.1374 40.06529 3.727962       3.520140  4.211336       3.478889  -4.266838      65.38696 
1 1 1 21  2   25 o 73.44850 33.23809 -0.4985441     3.283912  -0.1108556E-01 3.212748  -2.010490      54.69616 
1 1 1 21  3   0  o 133.6637 50.90152 7.069536       5.778188  2.143524       5.916231  29.09489       81.33864 
1 1 1 21  3   1  o 133.9911 51.68435 4.972678       6.150613  3.916259       6.010670  6.664169       83.15257 
1 1 1 21  3   2  o 257.9650 31.04487 14.39729       4.949135  17.50969       4.790915  -30.97800      66.86051 
1 1 1 21  3   3  o 260.1368 44.65052 10.90726       6.823025  24.81831       7.075407  -111.1835      87.06484 
1 1 1 21  3   4  o 107.6100 47.38696 2.306292       6.220009  -1.570038      6.069428  18.73271       78.03690 
1 1 1 21  3   5  f 79.41047 36.52263 -4.184205      4.027579  1.274387       4.243122  -30.44124      62.58391 
1 1 1 21  3   6  o 159.7632 41.67867 8.393821       4.235826  4.587044       4.113225  38.54422       72.57493 
1 1 1 21  3   7  o 537.9376 19.43287 62.32056       6.319220  67.94925       6.640684  -22.88556      39.41836 
1 1 1 21  3   8  o 219.5601 32.20003 11.97377       4.303028  10.86370       4.209121  11.13086       66.58264 
1 1 1 21  3   9  o 411.4872 20.79313 38.87807       5.321082  37.44862       5.260100  7.809326       42.33635 
1 1 1 21  3   10 o 348.6638 22.84442 25.94426       4.830986  29.31761       5.000711  -21.80511      46.85333 
1 1 1 21  3   11 f 550.2347 18.82976 66.81565       6.278807  68.99078       6.565897  -8.037231      38.16005 
1 1 1 21  3   12 o 433.2733 20.06355 43.36708       5.295329  41.06504       5.464262  13.07251       40.87792 
1 1 1 21  3   13 o 191.2328 40.78334 10.02891       5.585476  8.615461       4.121729  9.052383       78.17071 
1 1 1 21  3   14 o 277.1893 24.74434 19.15856       4.189426  16.12398       4.230893  26.42209       51.88787 
1 1 1 21  3   15 o 129.2152 40.88651 2.939980       3.570739  5.512311       3.781069  -25.97863      68.21169 
1 1 1 21  3   16 o 348.4096 21.54321 24.94529       4.483047  30.93725       4.799680  -38.26288      44.36283 
1 1 1 21  3   17 o 215.9543 30.00276 13.17634       3.835155  9.096419       3.991090  45.88733       63.24098 
1 1 1 21  3   18 o 139.4825 40.21750 3.037667       3.562348  7.354309       3.789115  -44.23219      67.69579 
1 1 1 21  3   19 o 132.7294 40.27511 1.702415       3.489279  7.933620       3.733496  -62.23363      65.56007 
1 1 1 21  3   20 o 114.0052 40.39323 -1.110035      3.410380  8.605114       3.764982  -87.43834      62.10658 
1 1 1 21  3   21 o 137.7827 40.16036 5.150482       3.617258  5.220215       3.667303  -0.6468964     68.43314 
1 1 1 21  3   22 o 103.7389 39.74853 3.844485       3.698978  1.492387       3.470083  19.49056       64.20985 
1 1 1 21  3   23 o 121.7249 39.96716 4.103209       3.507274  4.090096       3.466965  0.1671219      65.91430 
1 1 1 21  3   24 o 164.8627 35.86783 9.073831       3.680202  5.925708       3.457372  33.32758       67.07883 
1 1 1 21  3   25 o 109.3627 38.83212 4.633773       3.353713  2.122999       3.258641  22.15615       62.67561 
1 1 1 21  4   0  o 68.07560 33.78016 -7.561604      5.357021  -7.722210      5.535238  -1.349503      59.65934 
1 1 1 21  4   1  o 94.22475 43.27209 -2.118714      5.854497  -0.6521089     5.688283  -4.514542      72.02837 
1 1 1 21  4   2  o 281.2198 33.93208 16.75171       6.700533  20.75000       5.185904  -50.67221      76.81580 
1 1 1 21  4   3  o 380.4345 33.51537 37.57791       8.061993  32.61300       7.614287  27.23059       72.09668 
1 1 1 21  4   4  o 148.6577 53.49620 4.661719       6.523300  6.704375       6.087810  -11.68918      86.73151 
1 1 1 21  4   5  o 392.2987 22.24090 32.02536       5.340531  38.04738       5.441229  -35.37653      45.69133 
1 1 1 21  4   6  o 83.56936 37.35483 -1.215623      3.886333  -0.1148102     4.042780  -8.126259      62.80018 
1 1 1 21  4   7  o 97.21117 40.56865 4.061023       4.142671  -2.009618      4.006701  42.57664       66.63752 
1 1 1 21  4   8  o 569.7532 19.08381 71.04831       6.725149  74.50871       6.745430  -13.95978      38.66964 
1 1 1 21  4   9  o 77.35503 35.70833 0.6764952      3.964819  -4.375931      4.037747  24.90410       61.14938 
1 1 1 21  4   10 f 105.5505 40.96918 3.541350       3.861590  0.4556813      3.814341  24.69437       66.96288 
1 1 1 21  4   11 o 143.9391 41.31137 2.663421       3.701733  8.151486       4.089917  -56.45219      69.22060 
1 1 1 21  4   12 o 308.1027 23.54117 19.46792       4.357035  23.97077       4.581791  -33.18558      48.62852 
1 1 1 21  4   13 o 160.6788 39.72654 12.38740       4.031071  0.9870273      3.849247  114.2147       62.97414 
1 1 1 21  4   14 o 225.6043 29.94578 11.19950       3.983622  12.82378       4.199784  -15.47960      62.70295 
1 1 1 21  4   15 o 129.7914 41.67040 5.033070       3.670388  3.147366       3.949779  16.57700       69.25980 
1 1 1 21  4   16 f 559.0298 18.11191 73.61281       6.329647  67.18791       6.216909  26.07245       36.78258 
1 1 1 21  4   17 o 198.3625 32.75006 8.254570       3.831491  11.07082       3.949878  -30.73363      66.35759 
1 1 1 21  4   18 o 430.7444 19.24714 43.53041       5.113797  40.78176       5.146036  15.09113       39.37002 
1 1 1 21  4   19 o 157.4364 38.74097 4.362705       3.618082  8.828916       3.913970  -47.30368      68.43170 
1 1 1 21  4   20 o 114.6327 40.68947 3.275262       3.611297  3.281522       3.646173  -0.2181549     66.49821 
1 1 1 21  4   21 o 340.2825 21.48219 24.64137       4.470608  29.23249       4.553349  -31.26697      44.77921 
1 1 1 21  4   22 o 86.31520 36.83717 0.9596294      3.451368  0.7470966      3.514420  0.8316650      60.01569 
1 1 1 21  4   23 o 144.7484 39.10752 7.687575       3.615092  3.961350       3.573079  38.50762       67.05750 
1 1 1 21  4   24 o 72.00730 33.07270 2.412496       3.495047  -3.496724      3.260453  34.33324       55.94219 
1 1 1 21  4   25 o 103.5220 38.34452 3.773105       3.280791  1.947883       3.256060  15.39384       61.69794 
1 1 1 21  4   26 o 67.06087 31.80618 2.205501       4.719828  -3.334795      2.970375  39.67950       57.72805 
1 1 1 21  5   0  o 77.90398 36.14388 0.4876848      4.236510  -3.588900      4.118889  20.27956       61.26323 
1 1 1 21  5   1  o 172.2969 52.54709 4.076213       6.007744  13.23658       6.252573  -66.99503      85.90779 
1 1 1 21  5   2  o 404.6257 31.81049 45.17660       8.254463  34.02932       7.623507  60.52240       67.97527 
1 1 1 21  5   3  o 178.0834 53.97065 15.70314       6.781469  3.393717       6.209695  87.92557       87.44792 
1 1 1 21  5   4  o 508.1281 29.22779 61.12193       9.279995  60.03195       9.071165  3.421112       60.99336 
1 1 1 21  5   5  o 101.4282 42.29034 -0.5997102     4.494505  2.835875       4.349389  -20.43152      69.25813 
1 1 1 21  5   6  o 317.1011 24.82440 24.67227       4.832735  21.37753       4.855693  24.77805       51.61262 
1 1 1 21  5   7  o 263.3095 28.00367 16.30381       4.517954  15.83799       4.490053  4.056335       58.86641 
1 1 1 21  5   8  o 220.4478 32.76531 10.21754       4.278750  12.89282       4.413488  -27.17871      67.49943 
1 1 1 21  5   9  o 78.80135 35.78236 -1.860120      3.766544  -0.4965743     3.840634  -8.534683      60.69260 
1 1 1 21  5   10 o 104.7811 41.24057 -2.245640      3.778288  6.655787       4.109529  -72.23737      65.93166 
1 1 1 21  5   11 o 126.5142 49.45499 3.075767       3.976570  0.000000       0.000000  ?              ?        
1 1 1 21  5   12 o 248.9810 29.03201 12.11626       4.253856  17.06436       4.562099  -45.33546      61.17733 
1 1 1 21  5   13 o 108.3580 41.19260 4.150403       3.802493  0.3659259      3.846676  30.13781       66.97980 
1 1 1 21  5   14 o 387.9546 20.31294 33.06356       4.792273  34.89250       4.954595  -10.21307      41.39224 
1 1 1 21  5   15 o 279.9168 24.64363 17.36794       4.135360  18.70360       4.343139  -9.966370      51.29273 
1 1 1 21  5   16 o 402.4706 20.38248 37.54837       5.016505  35.81786       5.129671  10.64331       41.67883 
1 1 1 21  5   17 f 485.0522 18.74027 54.76094       5.614316  51.65815       5.642010  15.02277       38.19448 
1 1 1 21  5   18 o 114.8158 40.93853 1.305813       3.575904  5.269912       3.787229  -35.65393      66.54437 
1 1 1 21  5   19 o 251.0536 26.35997 15.53966       3.987910  14.13247       4.102483  14.74905       56.20107 
1 1 1 21  5   20 o 241.7758 27.60750 14.01696       3.979303  13.90538       4.159493  3.125549       59.14242 
1 1 1 21  5   21 o 75.59299 34.22588 -3.499106      3.399528  2.423366       3.500402  -35.36066      57.63949 
1 1 1 21  5   22 o 104.7727 39.20534 3.027229       3.419548  2.313336       3.447751  5.750854       63.49573 
1 1 1 21  5   23 o 77.28748 34.56815 -0.4465748     3.402889  0.2055574      3.394513  -3.670753      56.98912 
1 1 1 21  5   24 o 106.7176 39.27475 5.797079       3.407697  0.1302937      3.431117  47.17494       62.17939 
1 1 1 21  5   25 o 189.5895 31.78593 10.60518       3.728988  8.328174       3.494493  23.16435       65.54644 
1 1 1 21  5   26 o 130.9242 37.96370 1.007737       3.223693  9.147223       3.301919  -81.74485      59.43253 
1 1 1 21  6   0  o 264.4690 44.02842 18.64473       4.928023  0.000000       0.000000  ?              ?        
1 1 1 21  6   1  o 203.3479 51.32816 8.063488       6.265281  15.81465       6.705370  -58.93225      90.06771 
1 1 1 21  6   2  o 116.6897 48.90354 7.490469       6.171965  -2.564947      5.761470  55.51009       79.52260 
1 1 1 21  6   3  o 219.0079 36.27721 9.707381       4.724954  14.10355       4.787795  -44.09422      73.44612 
1 1 1 21  6   4  o 406.3188 31.67389 46.64561       8.267298  33.09100       7.613638  74.47046       67.72543 
1 1 1 21  6   5  o 376.1172 32.33021 36.24109       7.634744  31.04685       7.315382  30.67950       68.67822 
1 1 1 21  6   6  o 396.0287 21.99454 33.56581       5.273055  37.75165       5.498121  -23.50836      44.99231 
1 1 1 21  6   7  o 321.2942 24.06835 18.65493       4.572464  29.35945       4.977453  -76.10284      50.45261 
1 1 1 21  6   8  o 271.9120 26.92475 14.94966       4.356051  19.39896       4.619329  -37.37384      56.53866 
1 1 1 21  6   9  o 404.2233 21.28146 38.54119       5.360525  35.22413       5.275465  18.71957       43.39181 
1 1 1 21  6   10 o 287.9429 25.48365 21.01724       4.530992  16.98921       4.479189  32.98990       53.29351 
1 1 1 21  6   11 o 243.8432 29.56924 12.14005       4.293481  15.71310       4.474932  -33.75294      62.20681 
1 1 1 21  6   12 o 578.2281 18.47648 73.95114       6.583261  75.75914       6.654850  -6.956299      37.39550 
1 1 1 21  6   13 o 208.3426 32.49403 14.24282       4.156605  6.712155       3.974561  79.46614       64.95362 
1 1 1 21  6   14 o 277.9194 25.42021 16.73046       4.361361  18.74179       4.307041  -17.63773      53.16391 
1 1 1 21  6   15 o 313.8297 27.22760 23.01487       4.439548  22.31838       6.760903  23.14142       64.53132 
1 1 1 21  6   16 o 451.4812 19.27417 44.88951       5.372259  47.09712       5.398966  -11.22580      39.23009 
1 1 1 21  6   17 o 327.9190 21.98288 23.43018       4.406394  25.86656       4.486313  -16.97067      45.36736 
1 1 1 21  6   18 o 392.1031 19.89940 35.56516       4.880081  34.53553       4.770384  5.423462       40.77260 
1 1 1 21  6   19 o 156.3181 38.80139 5.837354       3.704585  6.846392       3.786425  -10.72437      69.56541 
1 1 1 21  6   20 o 77.69535 34.96955 1.629549       3.529414  -2.797400      3.548076  25.40599       58.56149 
1 1 1 21  6   21 o 280.6617 23.69715 19.02949       4.056581  17.95875       4.118454  9.852448       50.02691 
1 1 1 21  6   22 o 112.6565 39.89001 2.489393       3.394782  4.209158       3.584076  -15.78885      65.00856 
1 1 1 21  6   23 o 70.03228 32.39542 -4.024671      3.194610  2.399402       3.456848  -37.73347      55.48926 
1 1 1 21  6   24 o 84.63046 36.15742 1.514896       3.360225  0.2184148      3.363088  8.468643       58.78899 
1 1 1 21  6   25 o 183.4747 33.45244 9.817035       3.696975  8.164474       3.637920  18.23898       67.27018 
1 1 1 21  6   26 o 78.10323 34.27712 0.1701597      3.301974  0.7480121      3.087758  -1.688988      55.72967 
1 1 1 21  7   0  o 121.6983 45.11633 3.873394       4.660437  3.629907       4.403469  2.777603       73.05577 
1 1 1 21  7   1  o 65.78526 32.04717 -5.947446      4.219148  -2.969026      4.211946  -10.32294      56.21037 
1 1 1 21  7   2  f 239.2653 48.48094 18.50377       6.821795  12.08009       7.083148  54.39316       92.35466 
1 1 1 21  7   3  f 79.71472 38.46943 -6.527504      5.809585  -3.389186      5.623689  -8.122704      66.47296 
1 1 1 21  7   4  o 349.0723 35.32707 44.54893       8.393670  19.57979       6.909815  155.9776       77.86562 
1 1 1 21  7   5  o 355.6421 34.34616 27.16784       7.465235  33.75076       7.500925  -45.18756      74.50270 
1 1 1 21  7   6  o 230.0215 33.29881 11.18900       4.517979  14.28547       4.714830  -29.89084      69.25599 
1 1 1 21  7   7  o 106.2253 41.94685 -0.1684016     3.977952  4.268826       4.193226  -34.74584      68.49593 
1 1 1 21  7   8  o 216.3948 33.97642 16.76133       4.511090  6.080544       4.316734  106.7618       66.71227 
1 1 1 21  7   9  o 290.7343 25.69782 20.36682       4.575378  18.39095       4.598500  16.32797       53.55523 
1 1 1 21  7   10 o 413.4355 20.84796 41.60080       5.346180  35.47405       5.312908  34.33252       42.58744 
1 1 1 21  7   11 o 128.5077 42.27893 6.106025       3.852427  1.687205       3.951928  40.07021       69.04397 
1 1 1 21  7   12 o 325.3317 23.44577 22.96947       4.662444  25.21083       4.738182  -15.80154      48.25967 
1 1 1 21  7   13 o 289.0536 25.33057 16.41660       4.397590  22.16446       4.601464  -46.02402      53.11205 
1 1 1 21  7   14 o 111.1101 42.11374 0.7008955      3.970078  4.276481       4.010559  -28.58483      68.57523 
1 1 1 21  7   15 o 154.9551 45.57242 7.257988       3.970046  3.745740       5.955335  24.24217       77.23119 
1 1 1 21  7   16 o 228.0239 29.29303 11.29904       4.111456  13.18575       3.987091  -20.78572      61.89621 
1 1 1 21  7   17 o 146.2125 40.78749 7.473779       3.893204  3.666115       3.786383  38.78536       69.49359 
1 1 1 21  7   18 o 365.2941 20.59528 33.16868       4.760589  28.07977       4.542999  31.16415       42.35865 
1 1 1 21  7   19 o 113.6075 40.29562 1.502537       3.471156  4.920258       3.651973  -31.36169      65.62705 
1 1 1 21  7   20 o 73.86079 33.97158 0.8454485E-01  3.632098  -2.439658      3.519928  14.70313       57.47867 
1 1 1 21  7   21 o 139.3363 39.85283 5.687826       3.635030  4.750914       3.601434  9.568558       68.27606 
1 1 1 21  7   22 o 127.3054 40.12727 8.121205       3.532280  0.6962271      3.546635  70.22671       63.12875 
1 1 1 21  7   23 o 64.06848 30.41682 -4.301965      3.228400  0.4068749      3.307264  -23.12315      52.43488 
1 1 1 21  7   24 o 75.03850 33.73634 -0.2675321     3.239375  -0.1982509     3.328982  -1.320358      55.71532 
1 1 1 21  7   25 o 80.20683 34.75834 -0.8489895     3.136731  2.302488       3.250497  -21.32252      56.64838 
1 1 1 21  7   26 o 229.2956 25.48874 13.60879       3.719408  12.54316       3.427005  6.276550       55.96650 
1 1 1 21  7   27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  8   0  o 95.38223 41.03808 0.2286756      4.378268  1.630135       4.396010  -8.065048      66.90044 
1 1 1 21  8   1  o 109.6400 42.89935 3.516708       4.429236  1.774326       4.064103  14.50485       69.68379 
1 1 1 21  8   2  o 96.64405 40.97076 -2.013927      4.290346  3.911076       4.227033  -35.85729      66.83444 
1 1 1 21  8   3  o 223.1965 49.59146 9.738433       6.734911  17.12492       6.641638  -60.60565      90.68117 
1 1 1 21  8   4  o 248.8324 37.05569 15.10150       6.536174  15.41505       4.901334  -18.12384      79.78368 
1 1 1 21  8   5  o 268.9413 43.40321 21.76177       7.521040  16.04500       6.565004  38.34627       90.19282 
1 1 1 21  8   6  o 157.4396 52.95729 2.011525       6.082654  11.36670       6.144711  -65.00589      84.89394 
1 1 1 21  8   7  o 107.4796 42.29206 2.014611       4.116146  2.110574       4.155571  -1.030083      69.17840 
1 1 1 21  8   8  o 82.57377 37.50311 -0.1491653     4.042305  -2.413459      4.333406  8.360817       63.27843 
1 1 1 21  8   9  o 406.7646 21.20247 40.56112       5.428027  34.39980       5.239818  34.37515       43.29836 
1 1 1 21  8   10 o 293.2881 25.32886 24.80479       4.685648  15.12399       4.449567  77.17809       54.13264 
1 1 1 21  8   11 o 321.4988 23.89706 22.90936       4.601335  24.27933       4.873957  -8.519440      49.26802 
1 1 1 21  8   12 o 452.0341 19.97107 48.68079       5.584087  43.26431       5.588284  27.83084       40.67382 
1 1 1 21  8   13 o 373.3010 21.49869 34.78577       4.949400  28.25446       4.965268  41.00140       44.25447 
1 1 1 21  8   14 o 300.7208 28.70887 19.88199       6.375108  21.65477       4.620040  -27.88727      65.77521 
1 1 1 21  8   15 o 95.66849 42.73161 -0.5592883     3.659189  0.000000       0.000000  ?              ?        
1 1 1 21  8   16 o 154.9032 40.32159 6.943178       3.994413  5.336181       3.833656  16.77841       71.08932 
1 1 1 21  8   17 o 160.1434 40.17796 5.362444       3.987153  7.851151       3.981136  -26.01071      71.31100 
1 1 1 21  8   18 o 175.2704 36.11856 10.47241       3.916011  5.357945       3.686908  55.69484       67.24430 
1 1 1 21  8   19 o 83.85159 36.53014 5.464146       3.698098  -4.386925      3.444662  68.76043       60.30633 
1 1 1 21  8   20 f 153.5770 38.91721 8.612230       3.721873  3.765522       3.701208  51.37572       67.33480 
1 1 1 21  8   21 o 77.31936 34.37601 0.7448278      3.307864  -1.134328      3.310266  11.49621       57.07119 
1 1 1 21  8   22 o 102.7806 38.97500 6.236111       3.513481  -0.8777546     3.330860  60.04885       61.67211 
1 1 1 21  8   23 o 125.2610 39.11907 2.995965       3.325833  5.819407       3.419272  -27.84815      64.81808 
1 1 1 21  8   24 o 139.7330 38.80790 4.458275       3.489348  6.520891       3.477610  -21.44536      66.64181 
1 1 1 21  8   25 o 67.16016 31.28059 -1.776076      3.168978  -0.4310455     3.182493  -6.929672      52.34743 
1 1 1 21  8   26 o 107.5399 37.77940 2.163792       3.081251  4.454237       3.163969  -20.91092      61.03288 
1 1 1 21  8   27 o 126.1984 37.72496 7.226020       3.250648  2.452527       3.114368  47.89471       61.89780 
1 1 1 21  9   0  o 233.6983 33.91294 13.54201       4.650347  13.93386       4.905565  -0.7114716     72.23063 
1 1 1 21  9   1  o 111.7957 43.32958 3.450547       4.197166  2.138888       4.384805  8.167747       70.01728 
1 1 1 21  9   2  o 98.09011 41.28286 0.5661525E-01  4.333370  2.303933       4.214092  -12.83170      67.30417 
1 1 1 21  9   3  o 94.05841 43.40982 -2.042065      5.831380  -1.245741      5.988145  -4.358879      72.45781 
1 1 1 21  9   4  o 133.3676 51.49196 8.700480       6.116273  -0.1158211     5.963308  53.32275       82.39070 
1 1 1 21  9   5  o 129.9916 44.97238 5.001960       4.525097  3.530159       4.311416  12.84114       73.87533 
1 1 1 21  9   6  o 136.5094 52.38818 -2.997710      6.232915  11.87638       6.214866  -88.17485      81.56358 
1 1 1 21  9   7  o 133.7142 51.37418 6.133164       6.279348  2.367767       5.737237  25.38286       83.40057 
1 1 1 21  9   8  o 109.7909 42.53047 6.594869       4.309118  -1.330598      3.970778  63.06639       68.35720 
1 1 1 21  9   9  o 90.03239 38.95997 -1.737827      4.004964  2.064427       3.992666  -23.51823      64.65314 
1 1 1 21  9   10 o 172.9302 50.80248 0.000000       0.000000  7.870593       4.106965  ?              ?        
1 1 1 21  9   11 o 167.1368 39.74538 4.099219       3.926905  10.25042       4.208069  -64.16859      69.75697 
1 1 1 21  9   12 o 85.51484 37.82825 -1.370130      3.897517  0.6404412      4.019842  -13.26855      63.36586 
1 1 1 21  9   13 f 355.9880 22.07535 28.98027       4.833637  28.55159       4.868234  3.004517       45.23974 
1 1 1 21  9   14 f 72.29140 35.34927 0.000000       0.000000  -6.133300      3.725878  ?              ?        
1 1 1 21  9   15 o 148.9020 44.60386 5.655632       3.815668  5.814538       5.533502  -4.674057      76.94880 
1 1 1 21  9   16 o 142.7643 41.68506 6.925449       4.003014  3.665056       3.843436  32.44010       70.54394 
1 1 1 21  9   17 o 279.6838 25.51208 17.52405       4.343684  19.01445       4.412133  -12.22885      53.71992 
1 1 1 21  9   18 o 164.1441 39.30894 8.088036       3.974324  5.946955       3.925347  22.59055       71.06268 
1 1 1 21  9   19 o 406.2572 19.75608 37.79924       4.991483  37.54609       4.936566  1.081177       40.49860 
1 1 1 21  9   20 o 196.6839 32.19159 10.34718       3.829065  8.801039       3.755708  16.97864       65.84652 
1 1 1 21  9   21 o 276.6667 23.82365 16.55289       4.056854  19.46224       4.040960  -25.61290      50.61773 
1 1 1 21  9   22 o 93.23576 38.01361 2.818229       3.453055  0.3321153      3.479928  17.71918       61.50763 
1 1 1 21  9   23 o 95.76904 37.47058 1.687485       3.188975  2.467808       3.274316  -6.735992      60.51949 
1 1 1 21  9   24 o 112.4682 39.64754 2.601000       3.431288  4.409793       3.449390  -15.72339      64.20015 
1 1 1 21  9   25 o 97.95933 37.97417 3.695747       3.333973  1.173674       3.255321  20.09986       60.88208 
1 1 1 21  9   26 o 72.90993 32.88520 -0.2603491     3.151785  0.6232651E-01  3.145051  -1.759758      53.90498 
1 1 1 21  9   27 o 133.2831 37.42225 0.6550294      3.188484  10.07933       3.253013  -94.54543      57.28277 
1 1 1 21  10  0  o 156.9709 44.75158 10.26062       4.614405  3.618344       4.525890  58.91983       74.38615 
1 1 1 21  10  1  o 107.1267 43.26166 5.383859       4.378076  -0.9173881     4.504976  39.73145       69.27599 
1 1 1 21  10  2  f 73.67701 34.74121 -0.4842736     4.145772  -4.122309      4.109034  16.18982       59.39055 
1 1 1 21  10  3  o 102.4834 41.85989 0.5264377      4.103240  3.115780       4.331362  -18.89703      68.21327 
1 1 1 21  10  4  o 350.0403 35.29397 33.13108       7.775367  27.13053       7.359931  37.63574       76.90144 
1 1 1 21  10  5  o 252.4692 44.49837 23.12341       6.840961  10.31820       6.594669  104.4360       86.10777 
1 1 1 21  10  6  o 120.9599 44.19921 2.564547       4.014951  4.637344       4.703104  -19.73661      72.57304 
1 1 1 21  10  7  o 125.2040 51.17089 1.645330       6.289631  4.353709       6.310034  -14.34047      82.63990 
1 1 1 21  10  8  o 194.1715 45.22350 18.92260       7.248052  6.455358       4.429661  96.04497       84.40395 
1 1 1 21  10  9  o 328.3310 24.67655 26.24401       5.131507  23.47664       4.857944  18.12463       51.13623 
1 1 1 21  10  10 o 212.5997 34.37823 10.27804       4.485324  11.48959       4.280152  -14.24306      70.12693 
1 1 1 21  10  11 o 213.2377 33.70179 12.12749       4.308088  9.725178       4.311851  25.60023       68.86221 
1 1 1 21  10  12 o 158.2282 41.32818 7.464912       4.154497  5.267735       4.047614  22.47775       72.59847 
1 1 1 21  10  13 o 151.8503 42.07694 4.724649       4.155080  6.945650       4.047438  -21.96181      72.49227 
1 1 1 21  10  14 o 183.1668 50.83625 0.000000       0.000000  9.031372       4.228286  ?              ?        
1 1 1 21  10  15 o 402.2477 21.43082 34.19684       5.205459  39.70404       5.460000  -30.50256      43.91488 
1 1 1 21  10  16 o 206.8656 35.74228 9.735915       4.368396  11.47600       4.475014  -17.63155      71.96680 
1 1 1 21  10  17 o 89.59539 38.44989 1.654845       3.907053  -0.4641214     3.762354  14.82861       63.36655 
1 1 1 21  10  18 o 294.8359 25.01885 20.09290       4.561419  20.61793       4.504320  -4.828674      52.66923 
1 1 1 21  10  19 o 104.5384 40.66078 3.553463       3.884740  1.124295       3.694948  19.82142       66.09031 
1 1 1 21  10  20 o 89.73086 37.97240 1.471948       3.720488  0.3327554      3.577717  8.867943       62.19897 
1 1 1 21  10  21 o 191.4297 34.20062 5.012430       3.838020  14.02064       3.990848  -95.40718      64.40311 
1 1 1 21  10  22 o 147.3131 40.56617 4.888207       3.851958  7.157019       3.797279  -22.82425      69.84081 
1 1 1 21  10  23 o 108.5660 40.45707 1.155590       3.699825  4.971657       3.599746  -29.61384      64.61993 
1 1 1 21  10  24 o 152.9578 38.10428 5.850811       3.563890  7.300943       3.641277  -14.99516      68.22074 
1 1 1 21  10  25 o 88.50838 36.72668 1.156100       3.300955  1.873486       3.320683  -5.066223      59.05771 
1 1 1 21  10  26 o 128.8963 39.52312 4.731447       3.488942  5.288968       3.431554  -5.518303      65.84101 
1 1 1 21  10  27 o 68.51746 31.69079 1.934047       3.321586  -2.789757      3.044080  27.02319       53.15782 
1 1 1 21  11  0  o 74.17594 34.97443 -2.452036      4.267878  -1.858641      4.100685  -0.7546921     59.14896 
1 1 1 21  11  1  o 109.6192 43.12437 8.469343       4.413754  -2.597950      4.193243  79.07697       67.62794 
1 1 1 21  11  2  o 84.53072 37.93540 -1.987576      4.077562  1.400325       4.185915  -18.83536      62.99381 
1 1 1 21  11  3  o 87.19417 39.00867 -0.7962715     4.324980  0.1895833      4.336637  -5.209312      64.60703 
1 1 1 21  11  4  o 68.84850 33.07504 -3.333822      4.035192  -3.528009      4.195004  -1.139671      57.26361 
1 1 1 21  11  5  o 148.8564 52.84689 5.900999       6.102698  6.136339       6.139763  -1.602142      85.76862 
1 1 1 21  11  6  o 174.6399 53.39425 13.48702       6.370670  3.790407       6.271484  70.15439       86.91018 
1 1 1 21  11  7  o 198.1334 50.83688 11.20214       6.034273  10.31241       6.555098  9.111084       90.18571 
1 1 1 21  11  8  o 143.5759 51.80195 7.581363       5.724456  2.901668       6.107032  29.24002       83.40205 
1 1 1 21  11  9  o 113.4945 47.94481 1.703316       4.099382  0.000000       0.000000  ?              ?        
1 1 1 21  11  10 o 311.9655 24.87297 20.73169       4.573882  24.58037       5.001884  -26.13245      51.78074 
1 1 1 21  11  11 f 126.5587 42.95143 3.890917       3.807408  3.974542       4.276808  -2.952469      71.05771 
1 1 1 21  11  12 o 161.4201 41.26496 6.869561       4.029417  6.432934       4.276180  4.711197       73.29738 
1 1 1 21  11  13 f 180.1298 37.43370 10.71807       3.967469  5.241543       4.129512  59.12592       68.90971 
1 1 1 21  11  14 o 121.9424 45.65443 4.580948       5.754362  2.798382       4.015955  21.75580       76.08626 
1 1 1 21  11  15 o 222.0353 31.55406 12.27740       4.142771  11.45865       4.309813  10.20721       66.27439 
1 1 1 21  11  16 o 118.2801 45.03722 6.233392       5.502575  1.582186       4.000724  40.11638       74.97971 
1 1 1 21  11  17 o 134.2290 45.74143 5.644859       5.637374  4.353381       3.933112  14.01971       76.53580 
1 1 1 21  11  18 o 114.1865 44.28332 -0.6262828     5.364358  4.825798       3.926505  -26.31751      70.52155 
1 1 1 21  11  19 o 152.0648 46.03845 6.891559       5.637092  6.141783       4.134029  5.379013       78.49129 
1 1 1 21  11  20 o 108.2704 40.39021 2.612293       3.547210  2.946813       3.737482  -3.805992      65.66435 
1 1 1 21  11  21 o 245.9153 26.49071 14.86462       3.815039  14.19629       4.162405  11.18642       57.49486 
1 1 1 21  11  22 o 176.9679 35.63048 8.782417       3.696108  7.700297       3.861146  13.76346       68.93402 
1 1 1 21  11  23 o 82.04790 36.01732 -1.405245      3.448816  2.495497       3.603362  -24.56386      59.01677 
1 1 1 21  11  24 o 117.4268 40.34733 3.716825       3.529106  4.216643       3.573186  -4.369545      65.60714 
1 1 1 21  11  25 o 93.09420 37.55714 0.8366426      3.332029  3.176799       3.353459  -16.95267      60.09848 
1 1 1 21  11  26 o 133.0155 39.58776 8.445691       3.486981  2.242594       3.529708  58.96432       63.79178 
1 1 1 21  11  27 o 113.6475 38.22533 5.581573       3.227709  2.415689       3.144334  28.78078       61.65327 
1 1 1 21  12  0  o 67.23896 32.73571 -5.184297      4.588035  -3.385448      4.198634  -1.832672      56.57854 
1 1 1 21  12  1  o 87.47924 39.01448 5.320047       4.674339  -3.968902      3.997728  56.73874       66.03341 
1 1 1 21  12  2  o 225.2905 34.29887 14.23395       4.702466  11.39219       4.584351  27.81502       71.93954 
1 1 1 21  12  3  o 117.3178 49.35940 0.000000       0.000000  2.649720       4.316645  ?              ?        
1 1 1 21  12  4  o 78.10641 36.00537 -0.3764710     4.165334  -2.210798      3.939155  11.34367       60.73019 
1 1 1 21  12  5  o 144.8241 43.74945 6.451326       4.371541  4.855197       4.157829  14.70610       73.84170 
1 1 1 21  12  6  o 82.37106 39.50666 -1.413175      5.611449  -7.595849      6.039913  15.98219       67.73591 
1 1 1 21  12  7  o 152.5485 53.56116 6.782404       6.109831  5.885306       6.452380  5.169113       87.04817 
1 1 1 21  12  8  o 123.0595 49.50335 0.6734892      5.759888  5.506252       5.819044  -27.82320      79.88557 
1 1 1 21  12  9  o 167.8875 51.97297 6.030385       5.744983  10.04892       6.214033  -29.78670      86.81410 
1 1 1 21  12  10 o 84.81938 38.37448 -3.247842      4.259389  1.718083       4.395711  -26.96423      64.52509 
1 1 1 21  12  11 o 203.9812 35.28498 8.440413       4.101364  12.54858       4.538137  -40.52602      70.58701 
1 1 1 21  12  12 o 117.8506 42.16287 4.085267       3.618061  2.226324       4.269452  11.60513       68.78938 
1 1 1 21  12  13 o 134.9376 43.44109 4.458309       3.893456  5.039959       4.416805  -6.585861      72.52776 
1 1 1 21  12  14 o 178.7131 38.13590 7.776267       4.002613  8.507584       4.202408  -6.872375      72.05020 
1 1 1 21  12  15 o 112.6878 41.77109 5.261028       3.798373  0.3830628      3.966963  37.94240       67.02678 
1 1 1 21  12  16 o 121.7310 42.22058 2.360543       3.776720  5.309473       4.017987  -26.42483      69.09082 
1 1 1 21  12  17 f 104.6496 40.82802 2.486747       3.752334  2.026640       3.905732  2.372078       66.32999 
1 1 1 21  12  18 o 148.8294 40.55042 5.510375       3.836943  6.245872       3.852613  -7.501877      70.55770 
1 1 1 21  12  19 f 162.6848 38.99197 5.984145       3.764927  8.084785       4.014328  -21.36821      70.68812 
1 1 1 21  12  20 o 85.28602 37.09786 1.138066       3.589851  -0.3603279     3.743753  7.665489       60.84598 
1 1 1 21  12  21 o 183.6312 35.01541 11.83888       3.864888  5.763868       3.821640  66.39244       66.50300 
1 1 1 21  12  22 o 95.91083 39.27427 2.308336       3.870713  1.417383       3.585533  7.802094       63.37685 
1 1 1 21  12  23 o 158.3704 38.89403 5.100456       3.708922  9.285367       3.882339  -42.17841      68.98914 
1 1 1 21  12  24 o 109.3503 39.98571 3.130673       3.525768  3.544852       3.544873  -3.394928      64.33443 
1 1 1 21  12  25 o 181.2611 33.38024 11.04914       3.676294  6.901474       3.556708  45.73969       65.99454 
1 1 1 21  12  26 o 111.0308 39.25267 4.055377       3.441016  3.431952       3.310744  5.235909       63.11745 
1 1 1 21  12  27 o 83.97623 38.77493 0.2549500      3.338907  0.000000       0.000000  ?              ?        
1 1 1 21  13  0  o 106.0390 42.63752 5.971706       4.427275  -0.6333065     4.169676  44.87235       68.48373 
1 1 1 21  13  1  o 162.3683 43.21056 6.804611       4.452371  8.031972       4.404846  -11.75171      75.58958 
1 1 1 21  13  2  o 112.1670 43.33071 4.172485       4.320877  1.814449       4.235714  16.99519       69.87254 
1 1 1 21  13  3  o 181.5056 41.28321 9.062384       4.559012  8.661119       4.526892  3.785904       76.54722 
1 1 1 21  13  4  o 182.6320 40.87143 10.42888       4.603493  7.505445       4.430554  28.17824       75.78824 
1 1 1 21  13  5  o 159.0702 42.80570 10.45176       4.526481  3.834172       4.132630  62.34308       72.70092 
1 1 1 21  13  6  o 123.9490 44.08216 5.444883       4.371915  2.496583       4.157792  24.32353       71.79715 
1 1 1 21  13  7  o 268.4893 41.08726 15.71728       6.255841  22.06429       7.070132  -45.07753      86.57170 
1 1 1 21  13  8  o 103.3530 45.88690 3.279939       5.847947  -3.019028      5.903777  27.89064       75.47266 
1 1 1 21  13  9  o 145.9371 48.10155 1.818589       4.523205  12.11446       5.814355  -83.08297      78.69436 
1 1 1 21  13  10 o 95.10816 42.97552 -3.841064      5.509553  2.236777       5.307027  -25.40818      71.34431 
1 1 1 21  13  11 o 109.1294 42.26503 3.562840       4.107529  1.428649       4.048193  16.18772       68.68139 
1 1 1 21  13  12 o 181.6353 38.23677 3.586488       3.966787  14.39100       4.412124  -108.0493      66.54230 
1 1 1 21  13  13 o 202.7985 34.70302 9.789237       4.141135  10.67052       4.279892  -8.401764      70.26817 
1 1 1 21  13  14 o 147.6950 42.07628 7.063905       4.080788  4.555447       4.002265  24.42480       71.87601 
1 1 1 21  13  15 o 96.31426 39.83193 0.2582812      3.806351  2.515345       3.950145  -16.52499      65.05470 
1 1 1 21  13  16 o 113.6946 41.91547 1.255571       3.838064  5.005859       3.959704  -30.86003      67.87508 
1 1 1 21  13  17 o 73.05604 34.05187 -5.500415      3.776496  2.044183       3.772385  -37.43459      58.51064 
1 1 1 21  13  18 o 103.9907 40.12084 3.964838       3.751968  0.8495565      3.581883  25.52651       65.07281 
1 1 1 21  13  19 o 154.5558 40.21852 6.846941       3.903517  6.024998       3.881378  8.399902       71.01521 
1 1 1 21  13  20 f 159.9613 39.59179 7.356048       3.880675  6.540242       3.934337  8.795425       71.11861 
1 1 1 21  13  21 o 105.4687 40.19286 4.778629       3.690090  0.7991320      3.604616  31.28884       64.51183 
1 1 1 21  13  22 o 100.0426 39.72833 3.732973       3.789289  1.100342       3.580108  19.86648       63.86697 
1 1 1 21  13  23 o 124.3895 42.02197 1.146178       3.852032  8.099221       3.846546  -57.85687      66.24838 
1 1 1 21  13  24 o 91.87136 39.14811 0.3250167      3.790281  2.876903       4.069407  -16.48579      62.94392 
1 1 1 21  13  25 o 125.4582 40.58285 2.997522       3.600305  6.785005       3.603792  -33.39045      65.72372 
1 1 1 21  13  26 f 76.72020 34.64586 0.6609429      3.516215  -0.2773013     3.497691  4.939476       56.11694 
1 1 1 21  13  27 o 80.86571 35.43465 0.8119106      3.478636  1.187654       3.320336  -1.178368      56.55209 
1 1 1 21  14  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  14  1  o 104.3393 42.76377 0.6237490      4.464675  3.741063       4.367534  -18.59080      68.66348 
1 1 1 21  14  2  o 113.4219 44.28434 3.387183       4.559126  2.968449       4.452471  3.202232       71.07131 
1 1 1 21  14  3  o 94.36501 40.53945 -1.733096      4.319143  3.533711       4.220505  -29.64218      65.92673 
1 1 1 21  14  4  o 94.41927 40.45305 0.8196695      4.216635  1.137469       4.242308  -2.053421      65.90765 
1 1 1 21  14  5  o 84.26305 37.88473 -2.467743      4.153345  1.734614       4.128186  -21.58250      62.81434 
1 1 1 21  14  6  f 73.67833 34.59503 0.8004267      4.123179  -4.606042      3.917790  26.90169       59.44139 
1 1 1 21  14  7  o 80.84714 36.82098 -4.263027      4.007619  2.659449       4.124206  -37.17577      62.16627 
1 1 1 21  14  8  o 180.6353 52.88443 14.30951       6.552845  5.391782       6.080063  64.53207       87.92611 
1 1 1 21  14  9  o 93.40129 42.88824 -3.838880      5.349850  1.999173       6.043635  -29.46325      72.28788 
1 1 1 21  14  10 o 137.6596 44.32373 5.966332       4.181714  3.924183       4.428745  17.16357       73.36684 
1 1 1 21  14  11 o 203.0188 48.04839 16.26516       6.439916  7.521274       5.567531  69.34447       86.17832 
1 1 1 21  14  12 o 88.45186 39.86195 1.168658       5.337190  -1.670349      4.123887  25.03011       67.64627 
1 1 1 21  14  13 o 235.0840 31.01143 14.73518       4.414723  12.02905       4.409538  27.54886       66.03292 
1 1 1 21  14  14 o 164.8444 52.85814 0.000000       0.000000  7.867021       4.327228  ?              ?        
1 1 1 21  14  15 o 150.1714 43.75762 5.661181       4.145754  6.614011       4.528090  -8.569122      74.71774 
1 1 1 21  14  16 o 148.7535 42.15525 9.643370       4.023432  2.083902       4.111681  71.39062       68.48332 
1 1 1 21  14  17 o 191.1031 36.72639 14.56234       4.303715  4.661592       4.095221  100.3875       66.89574 
1 1 1 21  14  18 o 167.4664 40.04707 9.114442       4.109540  5.922875       4.098368  32.80806       72.09312 
1 1 1 21  14  19 o 114.0464 41.64478 6.708762       3.829906  -0.1702501E-01 3.835582  53.92503       65.86404 
1 1 1 21  14  20 f 70.46581 33.14960 -3.447419      3.612544  0.5987791E-01  3.834844  -18.36753      56.43339 
1 1 1 21  14  21 o 74.17681 34.42960 -2.389462      3.702771  0.2157957      3.896557  -14.11195      57.64484 
1 1 1 21  14  22 o 108.7108 41.56811 3.443175       3.948151  3.019427       3.870796  3.260658       66.41951 
1 1 1 21  14  23 o 100.1609 39.95775 3.413426       3.745641  1.645755       3.733428  12.12906       63.69348 
1 1 1 21  14  24 f 195.7029 35.06183 11.49610       4.182354  9.543596       4.022555  18.65936       71.39535 
1 1 1 21  14  25 o 118.1385 42.05041 5.982784       4.021835  3.247759       3.748314  20.27278       67.05463 
1 1 1 21  14  26 o 64.45465 31.18035 -6.388190      3.781019  1.494635       3.840606  -28.82421      53.59706 
1 1 1 21  14  27 o 90.52747 38.22060 1.185387       3.736344  2.963001       3.627603  -9.882652      60.02346 
1 1 1 21  15  1  o 110.8637 48.41608 0.4610776      6.033292  4.051723       6.593012  -17.15540      77.40495 
1 1 1 21  15  2  o 106.8825 48.06450 0.9667408      4.715582  0.000000       0.000000  ?              ?        
1 1 1 21  15  3  o 79.37229 37.18351 -0.9855647     4.714719  -2.473796      4.483991  8.067757       62.28746 
1 1 1 21  15  4  o 112.5976 48.93606 0.000000       0.000000  2.001479       4.500609  ?              ?        
1 1 1 21  15  5  o 115.5871 45.04721 4.013009       4.729657  2.448090       4.582880  10.93561       72.49210 
1 1 1 21  15  6  o 190.4365 41.34512 9.895185       4.853913  9.717283       4.640928  0.1240540E-01  78.09499 
1 1 1 21  15  7  o 78.57196 36.69071 -3.953209      4.433949  0.3235820      4.396164  -18.04679      61.91837 
1 1 1 21  15  8  o 83.52128 37.94740 1.104579       4.416356  -2.374940      4.164285  19.61461       63.44272 
1 1 1 21  15  9  o 78.08646 36.40399 -1.827408      4.436506  -1.763841      4.207400  2.079529       61.39848 
1 1 1 21  15  10 o 95.09557 43.71275 -1.130445      5.767122  -1.104422      6.056819  -2.224632      72.28262 
1 1 1 21  15  11 o 83.73644 37.98212 -2.958850      4.221872  1.556174       4.321541  -23.69670      63.55519 
1 1 1 21  15  12 o 95.63451 43.42513 -6.301149      5.707573  4.658983       5.499782  -45.27802      72.07596 
1 1 1 21  15  13 o 144.7937 52.85639 8.971942       6.509005  3.416853       5.885138  35.08890       85.16452 
1 1 1 21  15  14 o 266.8954 29.26506 18.86055       4.784154  15.49218       4.747618  30.53009       63.26851 
1 1 1 21  15  15 o 230.6262 32.83422 9.468825       4.448927  17.31211       4.690240  -76.38873      68.63869 
1 1 1 21  15  16 o 107.0621 44.32766 1.045815       4.119137  4.352811       6.022258  -29.04844      73.79382 
1 1 1 21  15  17 o 103.2476 41.60496 3.372089       4.187687  1.048942       4.011655  16.72989       67.26746 
1 1 1 21  15  18 o 81.33662 36.77797 0.7138674      4.056012  -1.491302      3.883277  12.97424       60.99596 
1 1 1 21  15  19 o 137.3821 44.13155 3.328401       4.215427  7.703328       4.315155  -36.82423      72.14713 
1 1 1 21  15  20 o 83.18723 37.48438 -1.436468      4.098038  1.214548       4.060786  -12.93262      61.48376 
1 1 1 21  15  21 o 111.8654 42.89189 7.521440       4.329185  -0.4458044E-01 4.026181  53.84406       67.99796 
1 1 1 21  15  22 o 156.1099 43.04702 9.926702       4.420168  5.170969       4.194857  41.38076       73.27680 
1 1 1 21  15  23 o 115.4904 43.07188 3.806845       4.246891  4.198317       4.035720  -2.544632      68.49168 
1 1 1 21  15  24 o 78.12876 35.92650 -0.9730023     4.110451  0.3541600      3.888418  -4.275429      58.39151 
1 1 1 21  15  25 o 78.68963 35.89521 1.547485       4.003730  -1.075156      3.771463  13.49647       58.10345 
1 1 1 21  15  26 o 82.42328 36.99549 0.3772433      4.005411  1.256338       3.859143  -3.366714      58.85680 
1 1 1 21  15  27 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  16  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  16  3  o 104.3913 43.38961 3.087112       4.784031  1.359032       4.493471  11.47662       69.74345 
1 1 1 21  16  4  o 140.3889 46.79057 8.779415       4.906974  3.157578       4.651031  42.97665       75.76593 
1 1 1 21  16  5  o 88.15968 39.94820 2.342900       4.812153  -2.767329      4.614144  25.11357       66.06175 
1 1 1 21  16  6  o 164.4375 46.08806 13.72411       5.095822  2.643888       4.705334  93.22408       74.47272 
1 1 1 21  16  7  o 241.8106 34.03995 12.15398       4.883082  17.68999       5.050897  -51.99274      72.69360 
1 1 1 21  16  8  o 94.68738 41.31243 -0.7824899E-01 4.492678  1.697300       4.659088  -10.54401      67.30124 
1 1 1 21  16  9  o 105.3560 43.47523 0.3390939      4.579805  3.894145       4.628625  -21.59284      70.08106 
1 1 1 21  16  10 o 72.15034 34.51425 -0.7196910     4.423977  -5.303218      4.325802  18.57748       59.41677 
1 1 1 21  16  11 o 159.4180 53.94024 10.49960       6.378726  5.180349       6.306830  34.04646       86.97337 
1 1 1 21  16  12 f 126.0477 50.49187 1.353088       5.663644  7.359208       6.394824  -34.64445      81.03430 
1 1 1 21  16  13 o 177.8366 57.50455 10.05214       8.030128  10.28305       6.633523  -5.351440      93.87328 
1 1 1 21  16  14 o 169.4476 56.94356 9.551647       7.360242  9.012073       6.808972  2.039795       92.00726 
1 1 1 21  16  15 o 100.4914 42.25535 1.577598       4.648306  1.664761       4.310366  1.708038       68.35330 
1 1 1 21  16  16 o 320.1616 31.81342 27.88931       5.468613  21.15835       7.450946  84.28886       78.19599 
1 1 1 21  16  17 o 89.55737 39.42002 0.9944281E-01  4.474486  0.8128139      4.050931  -0.4625092     64.30378 
1 1 1 21  16  18 o 249.9724 31.06470 15.74810       4.970255  15.69740       4.492587  -7.142456      68.42164 
1 1 1 21  16  19 o 107.3869 42.83584 1.686241       4.416019  3.892272       4.187407  -13.14978      68.27465 
1 1 1 21  16  20 o 73.02570 34.55918 0.8301154      4.254647  -4.361208      4.058973  22.66953       58.47347 
1 1 1 21  16  21 o 85.67652 38.32446 -0.5987259     4.270367  1.440470       4.092643  -8.721062      61.93476 
1 1 1 21  16  22 o 111.9970 43.64509 3.729978       4.321675  3.651210       4.418024  0.3363800      68.96489 
1 1 1 21  16  23 o 90.56580 42.44214 0.000000       0.000000  -0.3171347     4.239423  ?              ?        
1 1 1 21  16  24 o 65.44059 31.81254 -3.989645      4.031498  -1.782637      4.161242  -8.102531      53.51479 
1 1 1 21  16  25 o 92.07593 39.32560 2.559458       4.017157  1.575012       3.932685  5.594414       61.85764 
1 1 1 21  16  26 o 105.5952 41.69850 3.305314       3.996767  4.304025       4.070632  -6.044922      64.70510 
1 1 1 21  17  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  17  4  o 79.06791 37.27928 -4.122132      4.723504  0.2079389      4.777139  -16.93627      62.54296 
1 1 1 21  17  5  o 86.82527 39.48783 -2.937627      4.488299  2.594858       4.839655  -27.99616      65.53500 
1 1 1 21  17  6  o 100.0809 42.54590 4.172731       4.563796  -0.9361157     4.665598  27.46473       68.36946 
1 1 1 21  17  7  o 105.1338 43.92579 2.190333       4.769306  1.981433       4.797153  1.019844       70.58175 
1 1 1 21  17  8  o 131.6943 46.88438 5.521288       4.771758  4.320593       4.871576  8.436829       75.66272 
1 1 1 21  17  9  o 95.74308 41.58520 5.352283       4.716640  -2.901240      4.473765  46.33762       67.94953 
1 1 1 21  17  10 o 94.10441 41.43414 -0.8124765E-01 4.598086  1.502363       4.799071  -9.288467      67.39787 
1 1 1 21  17  11 o 104.4311 43.21683 2.483153       4.498077  1.784186       4.639421  3.327385       69.45446 
1 1 1 21  17  12 o 147.9283 54.46667 8.730097       6.432130  5.044433       6.733233  20.50110       86.04478 
1 1 1 21  17  13 o 143.4506 53.71589 4.768764       5.934088  8.863229       7.123349  -22.50137      85.72751 
1 1 1 21  17  14 o 117.6438 48.27528 1.779314       5.125033  5.777699       6.336782  -24.57428      77.71091 
1 1 1 21  17  15 o 103.4127 47.94468 -4.143889      7.907683  2.503224       6.861333  -15.04320      77.16853 
1 1 1 21  17  16 f 110.0618 49.23534 1.665843       4.877472  0.000000       0.000000  ?              ?        
1 1 1 21  17  17 o 85.35616 38.83054 -3.247955      4.513355  2.632693       4.495400  -26.78593      63.94981 
1 1 1 21  17  18 o 152.6600 45.75602 8.294415       4.705518  6.020375       4.642812  18.50792       76.49444 
1 1 1 21  17  19 o 86.62433 39.03814 2.646949       4.520303  -1.946694      4.337549  22.66870       63.67580 
1 1 1 21  17  20 o 83.92993 38.25062 -1.985516      4.483654  1.756328       4.312824  -15.34618      62.15945 
1 1 1 21  17  21 o 89.30473 39.67077 4.099805       4.432190  -2.242952      4.363474  31.19131       64.10954 
1 1 1 21  17  22 o 104.8266 42.53850 3.113713       4.346381  2.957101       4.287504  1.078468       67.05539 
1 1 1 21  17  23 o 164.0030 43.46259 7.417008       4.476661  10.03345       4.507724  -22.41132      75.27364 
1 1 1 21  17  24 f 118.6237 43.35982 5.755696       4.198433  3.988141       4.115761  11.88335       68.12737 
1 1 1 21  17  25 o 73.59107 34.73749 -2.140245      4.006253  0.6459794      4.302404  -12.08191      56.61834 
1 1 1 21  17  26 o 82.89481 38.01563 3.122278       5.325012  -0.3571160     3.876065  18.04871       61.07727 
1 1 1 21  18  5  o 116.2100 45.83768 3.027153       4.795686  4.290221       4.944976  -8.033669      72.88474 
1 1 1 21  18  6  o 97.11185 42.03328 2.222869       4.592703  0.3254905      4.723526  9.008987       67.68055 
1 1 1 21  18  7  o 174.4037 46.08786 11.59946       5.107687  6.610008       5.014229  42.09331       79.66434 
1 1 1 21  18  8  o 87.58850 39.65148 0.4233847      4.612395  -0.6751068     4.641830  4.765167       64.80535 
1 1 1 21  18  9  o 181.1577 44.30210 10.05691       4.851125  8.680186       5.026422  13.87149       79.84624 
1 1 1 21  18  10 o 86.34708 39.16364 -0.5697697     4.515192  -0.8554321E-01 4.564706  -2.626434      64.32928 
1 1 1 21  18  11 o 85.62926 38.84012 1.863343       4.560481  -2.280203      4.376733  20.85440       64.08199 
1 1 1 21  18  12 o 84.33753 38.45148 -2.139921      4.348194  1.419381       4.554163  -17.93126      63.47366 
1 1 1 21  18  13 f 103.4124 43.18253 1.371137       4.623620  3.037915       4.614092  -9.330704      69.04487 
1 1 1 21  18  14 o 96.09496 44.60240 -4.764894      6.265804  4.036168       6.479913  -30.43614      72.97977 
1 1 1 21  18  15 o 91.49701 44.08483 -5.834908      8.053699  -1.319598      6.936139  -5.056511      72.11544 
1 1 1 21  18  16 o 114.4568 51.33740 5.550983       7.687608  0.5663734E-01  7.426070  18.27656       80.41882 
1 1 1 21  18  17 o 171.9879 59.34381 10.47416       7.766149  12.55687       7.605401  -11.21527      92.57284 
1 1 1 21  18  18 o 137.5089 47.65512 5.889416       5.004072  6.466343       4.912537  -4.143814      76.23815 
1 1 1 21  18  19 o 93.77060 41.17669 0.1494292      4.572156  2.518591       4.646166  -11.76533      65.82713 
1 1 1 21  18  20 o 97.69735 41.41292 2.246385       4.306967  1.874732       4.394289  1.640411       65.73848 
1 1 1 21  18  21 o 109.6829 43.05769 3.518095       4.293252  3.669106       4.263092  -0.9013367     67.83256 
1 1 1 21  18  22 o 95.24278 40.45665 3.939371       4.211069  0.6231148      4.122540  18.12008       63.75929 
1 1 1 21  18  23 o 84.02403 37.80909 -0.5783826     4.148461  2.294324       4.119637  -12.85738      60.18564 
1 1 1 21  18  24 o 81.56781 37.27172 -0.7752486E-01 4.213398  1.143302       4.204773  -5.039452      59.30167 
1 1 1 21  18  25 o 95.72992 40.88371 2.915912       4.251164  2.748613       4.340099  0.6882935      63.06888 
1 1 1 21  19  6  o 116.4379 50.11547 3.915753       6.550175  2.769237       6.544051  4.660973       78.53736 
1 1 1 21  19  7  o 125.4708 45.25835 4.182586       4.357791  5.247794       4.675278  -7.805565      72.66449 
1 1 1 21  19  8  o 85.37257 38.69026 -0.1940787E-01 4.291916  -0.2792087     4.559832  -0.8195572     63.24511 
1 1 1 21  19  9  o 111.9070 43.93427 0.7389577      4.269575  6.456224       4.665411  -38.24062      70.17517 
1 1 1 21  19  10 o 123.6838 45.31817 2.695564       4.398129  6.638845       4.706698  -27.81956      72.48065 
1 1 1 21  19  11 o 128.9169 46.19776 5.222082       4.621730  4.738705       4.758209  3.340439       74.08957 
1 1 1 21  19  12 o 113.1246 43.89319 1.867212       4.322623  5.066790       4.489910  -21.73855      70.08971 
1 1 1 21  19  13 o 96.58607 41.49300 3.572759       4.429744  -0.7180716     4.515556  22.59194       66.67622 
1 1 1 21  19  14 o 130.6801 46.25694 9.921968       4.777347  0.8325352      4.601107  65.18003       72.60094 
1 1 1 21  19  15 o 108.2962 51.77045 0.000000       0.000000  -0.6944538     6.933799  ?              ?        
1 1 1 21  19  16 o 142.9879 60.89351 8.498124       6.703546  0.000000       0.000000  ?              ?        
1 1 1 21  19  17 o 100.9420 44.56080 5.327356       4.937273  -3.970709      6.206099  32.19503       70.10605 
1 1 1 21  19  18 o 104.5369 47.27131 8.514904       6.795928  -3.985668      6.337123  45.11330       75.85732 
1 1 1 21  19  19 o 83.92004 38.47523 -2.774410      4.532223  2.630064       4.538648  -22.79461      62.64154 
1 1 1 21  19  20 o 74.49718 35.44473 -1.850897      4.377918  -1.481499      4.599703  -2.853462      58.34906 
1 1 1 21  19  21 o 88.40002 40.14544 1.098447       4.717664  0.8030356      4.862993  0.5617828      63.49364 
1 1 1 21  19  22 o 79.43008 37.39360 1.226282       4.668612  -2.551418      4.829445  11.98161       60.25124 
1 1 1 21  19  23 o 104.8028 44.14318 3.913400       4.745278  3.502064       5.051525  1.749039       67.70308 
1 1 1 21  19  24 o 77.63643 36.74569 4.233370       4.797367  -4.759169      4.605049  30.68325       59.96375 
1 1 1 21  20  8  o 104.6082 43.28964 5.792732       4.692841  -0.3048483     4.479486  35.73830       68.98365 
1 1 1 21  20  9  o 108.0341 43.86943 2.300798       4.601011  3.724433       4.588114  -8.258850      69.52513 
1 1 1 21  20  10 o 91.81033 40.28210 4.623944       4.402337  -2.585657      4.402205  37.12984       65.15267 
1 1 1 21  20  11 o 99.92683 42.29572 0.9639899      4.530610  3.184318       4.521932  -11.96173      67.34930 
1 1 1 21  20  12 f 156.8663 46.24042 6.448609       4.810315  9.161505       4.799573  -21.96014      77.31633 
1 1 1 21  20  13 o 129.9028 45.57652 4.622613       4.604084  6.086918       4.483027  -10.60826      72.86855 
1 1 1 21  20  14 o 83.67628 38.34192 -1.282046      4.645410  0.7749264      4.359316  -6.780693      62.24811 
1 1 1 21  20  15 o 109.0521 48.52895 0.000000       0.000000  2.809726       4.674088  ?              ?        
1 1 1 21  20  16 o 103.7974 46.67086 1.209169       5.269172  4.376917       8.273732  -17.13956      74.64893 
1 1 1 21  20  17 o 127.2713 52.43309 9.756989       6.645083  2.504965       6.720058  29.78980       79.85239 
1 1 1 21  20  18 o 103.1518 48.03558 1.858884       5.291735  0.000000       0.000000  ?              ?        
1 1 1 21  20  19 o 102.2962 49.12685 4.846103       8.988380  -2.803903      9.125192  13.67667       75.46420 
1 1 1 21  20  20 o 97.99384 47.42755 3.438388       8.613068  -3.598568      9.091062  11.35543       73.17870 
1 1 1 21  20  21 o 84.00605 39.33920 -0.8598111     5.064883  0.8222776      5.208004  -6.110535      62.61252 
1 1 1 21  20  22 o 80.72500 38.40953 1.551408       5.371568  -2.739948      5.169268  13.35934       61.51449 
1 1 1 21  20  23 o 80.17591 38.15193 -1.370497      5.001096  0.7483112      5.423816  -7.651779      60.53142 
1 1 1 21  21  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  21  11 o 122.3136 47.49512 6.474439       5.141341  3.230279       5.177577  18.40055       74.24464 
1 1 1 21  21  12 o 86.96691 40.27383 -1.112452      4.995065  0.6519459      5.318721  -8.269257      65.15650 
1 1 1 21  21  13 o 72.71049 35.27156 -2.542642      4.933546  -4.156009      4.993292  4.269684       59.04892 
1 1 1 21  21  14 o 86.72179 39.98251 1.537420       4.987707  -1.651138      4.999465  12.03691       64.49170 
1 1 1 21  21  15 o 97.99815 44.23129 5.871217       6.908462  -0.6964375     4.971948  29.39571       71.79118 
1 1 1 21  21  16 o 86.22017 40.40095 -2.618626      5.310730  1.914962       5.557606  -16.08353      65.23773 
1 1 1 21  21  17 o 71.05643 34.97889 -4.734650      5.511489  -4.374221      5.364489  0.1060867      58.46980 
1 1 1 21  21  18 o 110.5010 48.87200 8.424144       6.629873  -0.2266141     6.574793  29.31488       74.93107 
1 1 1 21  21  19 o 101.1912 46.43707 1.190024       6.620488  3.812967       6.634966  -7.610359      71.26198 
1 1 1 21  21  20 o 100.1077 45.21955 2.832519       5.541265  2.844707       6.539752  -1.416748      69.23478 
1 1 1 21  21  21 o 85.48978 43.19080 -6.662072      10.75666  -8.391573      11.29116  0.5410156      67.62504 
1 1 1 21  21  22 o 109.5050 49.41600 5.611925       10.65445  5.512413       5.712318  -2.683205      72.90571 
1 1 1 21  22  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 21  22  14 f 127.6520 49.47403 4.545648       5.471760  7.772359       5.716578  -16.19212      76.20930 
1 1 1 21  22  15 o 77.56406 37.87148 -2.890392      6.615228  -3.759957      5.503140  7.688286       62.29073 
1 1 1 21  22  16 o 76.14266 37.19296 -6.560502      5.602914  0.3731827      5.992690  -18.62812      61.67206 
1 1 1 21  22  17 o 94.82380 43.43445 3.531224       5.687399  -0.3206844     5.839980  12.19588       67.59130 
1 1 1 21  22  18 o 100.5086 45.15863 3.110844       5.855426  2.697222       5.889628  1.350029       69.10982 
1 1 1 21  22  19 o 81.80728 39.31707 -2.707929      5.683881  0.7500623      5.978617  -9.819313      62.67632 
1 1 1 21  22  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  -11 2  o 82.79581 39.83107 -1.871933      5.786596  0.9351159      6.267862  -8.100113      62.71563 
1 1 1 22  -11 3  o 62.30378 30.74890 -2.415313      4.201766  -5.404785      4.390835  6.336357       51.60885 
1 1 1 22  -11 4  o 84.38863 38.17767 0.6090510      4.230350  1.558416       4.333604  -4.402397      60.15351 
1 1 1 22  -11 5  o 78.27528 38.08802 0.000000       0.000000  -2.299821      4.177381  ?              ?        
1 1 1 22  -11 6  o 95.33442 40.90116 4.815073       4.155217  -0.2789303     4.539460  24.03346       63.57012 
1 1 1 22  -11 7  o 67.28705 32.56513 -2.931983      3.937955  -1.757436      4.444176  -7.481209      54.22733 
1 1 1 22  -11 8  o 96.47820 41.64315 1.563667       4.274620  3.675174       4.875594  -11.35140      65.17332 
1 1 1 22  -11 9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  -10 0  o 71.92617 34.28144 -2.592675      4.096267  0.6881564      4.383944  -12.66295      55.76649 
1 1 1 22  -10 1  o 77.14748 36.12014 -3.012955      4.143763  3.146724       4.533043  -24.84467      58.78827 
1 1 1 22  -10 2  o 87.98788 39.28949 1.298574       4.236984  1.676060       4.519456  -2.658501      61.70186 
1 1 1 22  -10 3  o 85.35999 38.38066 1.840896       4.153911  0.1362602      4.354538  6.598602       60.74348 
1 1 1 22  -10 4  o 79.88372 36.94116 -4.152470      4.168900  4.692445       4.465604  -38.48843      60.92157 
1 1 1 22  -10 5  o 104.4364 42.82362 1.575343       4.289408  5.420565       4.586048  -21.55462      66.95257 
1 1 1 22  -10 6  o 122.1794 44.74218 5.403821       4.370307  4.895328       4.489790  3.582550       70.24312 
1 1 1 22  -10 7  f 232.8281 35.41216 14.00467       4.833961  16.70572       5.082486  -21.19159      77.41475 
1 1 1 22  -10 8  o 74.70660 35.15677 0.4532802      4.046166  -2.839596      4.348323  10.38526       57.57222 
1 1 1 22  -10 9  o 91.18161 39.83417 0.2967240      4.070361  3.119220       4.488247  -15.82416      63.45328 
1 1 1 22  -10 10 o 93.27077 43.04951 0.8690177      4.109770  0.000000       0.000000  ?              ?        
1 1 1 22  -10 11 o 73.86057 35.00679 -1.311048      4.121311  -1.523874      4.486503  -1.844513      57.50057 
1 1 1 22  -10 12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  -9  0  o 71.81611 34.31144 -5.353026      4.162049  2.949287       4.439261  -30.70293      57.52443 
1 1 1 22  -9  1  o 83.83746 37.91277 0.9368089      4.177177  0.6409332      4.257385  0.9011917      60.22762 
1 1 1 22  -9  2  o 93.57627 40.64055 4.180980       4.290201  -0.2299060     4.483004  20.64516       63.73096 
1 1 1 22  -9  3  o 94.90387 40.88150 0.6713844      4.246873  3.898996       4.490874  -16.86053      64.35748 
1 1 1 22  -9  4  o 91.51411 40.04984 0.9287080      4.288766  2.412525       4.366188  -7.489929      63.28299 
1 1 1 22  -9  5  o 74.54609 34.96957 -1.793725      4.009480  -0.9632184E-01 4.170069  -7.927338      57.37962 
1 1 1 22  -9  6  o 113.0242 44.35945 -2.094177      4.395126  11.13492       4.699793  -83.07540      68.41122 
1 1 1 22  -9  7  o 107.5459 43.36446 -0.1990804     4.209476  8.056284       4.746181  -50.10545      68.75988 
1 1 1 22  -9  8  o 111.6345 43.45754 3.706769       4.205245  4.028767       4.462018  -2.255829      68.35760 
1 1 1 22  -9  9  o 120.3557 44.13511 1.071242       4.064560  9.359597       4.610400  -57.71162      69.78876 
1 1 1 22  -9  10 o 114.3000 43.53184 3.962288       4.111208  4.207417       4.462345  -1.803558      68.72838 
1 1 1 22  -9  11 o 86.49393 38.58121 0.1328254      4.061561  1.440249       4.361294  -8.041069      62.06292 
1 1 1 22  -9  12 o 69.56503 33.29490 -1.930729      4.031281  -2.446853      4.134670  0.9814682      55.61515 
1 1 1 22  -9  13 f 106.4756 44.71075 4.483129       4.185976  0.4060959E-01  6.574996  13.44962       69.45242 
1 1 1 22  -9  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  -8  0  o 102.6746 46.22681 0.000000       0.000000  2.934419       4.376461  ?              ?        
1 1 1 22  -8  1  f 87.55968 38.76499 4.056911       4.128346  -1.631246      4.200747  27.17428       61.74656 
1 1 1 22  -8  2  o 95.29530 40.72588 -0.2358782     4.134467  4.781945       4.413315  -27.66611      64.68778 
1 1 1 22  -8  3  o 79.98940 36.76301 -2.532340      4.005057  2.444590       4.369726  -24.51914      60.52544 
1 1 1 22  -8  4  o 81.43130 37.32511 -3.475754      4.081450  3.696811       4.475378  -35.15244      61.96697 
1 1 1 22  -8  5  o 119.7244 44.39465 3.615762       4.264791  5.338741       4.512259  -11.84649      70.56647 
1 1 1 22  -8  6  o 115.8527 43.63325 4.574969       4.278771  3.427138       4.256665  7.873039       69.32000 
1 1 1 22  -8  7  o 72.37807 34.42089 -1.491638      4.112918  -2.665579      4.335338  2.465965       57.50420 
1 1 1 22  -8  8  o 99.47072 41.81363 2.261737       4.432676  2.019453       4.319053  1.864746       66.55370 
1 1 1 22  -8  9  o 130.1398 44.16283 4.615719       4.174121  5.870089       4.333883  -9.568039      71.52794 
1 1 1 22  -8  10 o 73.73101 34.82875 -2.737269      4.094783  -0.5468634     4.275424  -10.18019      58.12353 
1 1 1 22  -8  11 o 74.03828 34.78337 0.4684967      4.029335  -3.249665      4.112356  14.52282       57.77850 
1 1 1 22  -8  12 o 192.7689 44.04720 8.528853       6.417943  12.67724       4.424460  -54.25926      78.48579 
1 1 1 22  -8  13 o 138.6047 51.90088 6.958403       4.256408  0.000000       0.000000  ?              ?        
1 1 1 22  -8  14 o 105.3792 42.24603 0.5605165      4.231857  5.406195       4.170784  -30.10602      66.67545 
1 1 1 22  -8  15 o 101.3558 41.47748 7.236489       4.195992  -1.718169      4.097207  55.75831       65.43529 
1 1 1 22  -7  0  o 104.2399 42.66200 2.000403       4.263653  4.621964       4.520473  -15.14231      66.84026 
1 1 1 22  -7  1  o 104.8617 42.54329 0.6689891E-01  4.189431  6.479359       4.455880  -39.15723      67.28745 
1 1 1 22  -7  2  o 101.9140 42.66561 -0.9636293     4.327360  6.746192       4.755245  -44.54994      68.19440 
1 1 1 22  -7  3  o 181.1357 42.19777 15.28869       4.712445  4.490168       4.595760  96.46384       71.60599 
1 1 1 22  -7  4  o 87.39262 38.61116 -1.130129      3.992178  2.953933       4.240001  -22.69483      62.61325 
1 1 1 22  -7  5  o 168.2147 41.91707 8.885686       4.292898  7.840885       4.426046  11.13962       74.98988 
1 1 1 22  -7  6  o 142.3811 43.98722 8.316679       4.240960  4.096549       4.311544  35.71458       72.09681 
1 1 1 22  -7  7  o 103.6586 42.11955 -2.467440      3.983715  9.309564       4.549357  -78.98547      66.99556 
1 1 1 22  -7  8  o 101.6826 41.63510 0.4879348      4.112563  4.482879       4.251465  -25.26435      66.45182 
1 1 1 22  -7  9  o 206.5124 36.19765 12.98205       4.484386  10.08924       4.452011  29.72719       73.82771 
1 1 1 22  -7  10 f 130.7298 43.61486 4.031231       4.037543  6.349238       4.267296  -18.63934      71.09619 
1 1 1 22  -7  11 o 74.39439 34.93880 -2.847271      4.100334  -0.3054368     4.100891  -10.62435      58.39555 
1 1 1 22  -7  12 f 210.2091 43.18106 8.289077       7.037599  14.69332       4.596157  -74.56407      78.95986 
1 1 1 22  -7  13 o 108.3230 46.90887 3.921016       5.469730  1.085182       6.211638  9.670769       73.61486 
1 1 1 22  -7  14 o 89.46287 41.53397 2.931942       5.364484  -4.148983      5.709321  22.89622       67.31558 
1 1 1 22  -7  15 o 124.9508 49.87719 5.116519       5.818655  5.084058       5.841639  0.1536102      77.58405 
1 1 1 22  -7  16 o 120.1093 49.59529 6.396333       5.950244  2.794011       6.044254  16.32975       76.80772 
1 1 1 22  -7  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  -6  0  o 149.6888 45.27735 5.812483       4.277187  9.142016       4.910977  -23.01306      75.53487 
1 1 1 22  -6  1  o 125.0313 44.86322 5.902906       4.286782  3.780752       4.573239  15.08669       71.35101 
1 1 1 22  -6  2  o 154.1472 44.84728 8.677656       4.397310  6.022892       4.709656  24.04578       75.11024 
1 1 1 22  -6  3  o 119.0535 44.23236 2.679666       4.311568  5.912443       4.400295  -22.44511      70.30795 
1 1 1 22  -6  4  o 101.8076 42.00527 2.788831       4.185400  1.942797       4.418397  3.979607       66.86939 
1 1 1 22  -6  5  o 84.15023 38.33680 2.704623       4.411267  -3.209774      4.409493  27.04027       63.06333 
1 1 1 22  -6  6  o 205.8856 38.03150 8.397868       4.496896  15.24661       4.883623  -63.48166      74.66333 
1 1 1 22  -6  7  o 106.2172 42.37123 -0.6124416     4.067505  6.598828       4.356655  -49.17542      67.67225 
1 1 1 22  -6  8  f 122.4924 43.47518 5.599754       4.053913  2.881145       4.236905  20.66142       69.85442 
1 1 1 22  -6  9  o 80.64603 36.97214 0.1039242      4.123106  -1.464079      4.254397  6.089767       60.96003 
1 1 1 22  -6  10 o 105.2473 46.28490 4.745179       5.845234  -1.155334      5.840531  24.90700       73.85348 
1 1 1 22  -6  11 o 110.2555 46.98386 4.509581       5.390213  0.5363747      5.951744  16.28324       74.14144 
1 1 1 22  -6  12 o 103.6134 48.43643 0.000000       0.000000  -0.1788269     5.464598  ?              ?        
1 1 1 22  -6  13 o 132.9306 50.33542 6.384323       5.471832  4.540431       5.952302  10.32717       79.32167 
1 1 1 22  -6  14 o 94.97984 42.84019 0.4799836      5.339777  0.4830365      5.346884  -0.5248260E-01 69.08026 
1 1 1 22  -6  15 o 110.6214 44.75593 4.150941       4.078982  1.408733       5.966507  8.694466       70.74077 
1 1 1 22  -6  16 o 99.08209 42.62183 2.079373       4.110698  1.418934       5.754920  -4.261040      68.40488 
1 1 1 22  -6  17 o 83.25899 39.30479 -3.373201      5.480378  0.1114504      5.155951  -9.516312      64.43544 
1 1 1 22  -6  18 o 109.0921 46.35384 3.936162       5.616389  2.334050       5.338351  8.078255       72.70997 
1 1 1 22  -5  0  o 108.3186 42.67081 3.865260       4.067943  2.479643       4.377799  8.040253       67.62975 
1 1 1 22  -5  1  o 81.01545 37.16457 -0.3225200     4.066619  -0.5047226     4.437176  -1.972969      60.79255 
1 1 1 22  -5  2  o 98.60857 41.42116 3.115871       4.106206  0.7084605      4.496655  11.71044       65.95178 
1 1 1 22  -5  3  o 196.3499 41.42013 12.34456       4.724489  9.327488       5.065337  32.63443       78.52854 
1 1 1 22  -5  4  o 100.3161 41.81294 4.172278       4.220922  -0.3722479     4.423949  25.67968       66.81717 
1 1 1 22  -5  5  o 156.2559 43.37909 6.084599       4.250462  8.146111       4.464207  -17.96466      74.73566 
1 1 1 22  -5  6  o 141.6768 44.90700 6.831520       4.348301  4.841053       4.510650  16.75388       74.10223 
1 1 1 22  -5  7  o 152.2646 45.14896 8.747676       4.487432  4.637415       4.656765  35.58139       75.17420 
1 1 1 22  -5  8  o 102.3256 45.91902 2.191447       6.106355  -0.6908330     5.997929  11.97044       74.09264 
1 1 1 22  -5  9  o 158.1317 52.84390 7.406756       5.872616  8.639172       6.329589  -7.003647      85.65261 
1 1 1 22  -5  10 o 171.4554 53.55322 7.048267       6.004791  12.44009       6.687060  -33.58994      88.28808 
1 1 1 22  -5  11 o 90.69304 42.04037 1.654951       5.638648  -3.651623      5.624337  19.68060       69.24496 
1 1 1 22  -5  12 o 67.94511 33.17729 -4.160799      5.270953  -4.601767      4.125079  12.29753       57.80683 
1 1 1 22  -5  13 o 99.22699 44.33342 2.210481       5.687164  -0.3586808     5.467740  11.87165       71.41438 
1 1 1 22  -5  14 o 106.5167 45.91600 7.137612       6.016079  -1.506360      5.116816  44.88074       74.64157 
1 1 1 22  -5  15 o 128.9256 50.39168 11.36047       6.275493  0.1230180      5.481194  63.65723       80.04583 
1 1 1 22  -5  16 o 118.7806 48.36269 3.889043       5.747970  4.033474       5.465885  -0.1429367     76.06675 
1 1 1 22  -5  17 o 83.03284 39.32244 -4.852651      5.443001  1.064265       5.348287  -18.92653      65.06091 
1 1 1 22  -5  18 o 102.1823 43.46652 2.285117       5.817865  2.162140       4.206669  7.113403       69.71758 
1 1 1 22  -5  19 o 119.0839 43.33142 3.880772       4.186340  4.634452       4.103389  -5.452194      69.23943 
1 1 1 22  -4  0  o 86.26614 38.28439 -0.7119740     3.893806  2.109599       4.308997  -17.38252      62.39247 
1 1 1 22  -4  1  o 85.16247 38.59644 -0.1297021     4.145135  0.1357745      4.705736  -5.176247      62.97942 
1 1 1 22  -4  2  o 79.11712 36.47619 -0.7399595     3.972658  -0.9771658     4.367432  -2.341522      60.33664 
1 1 1 22  -4  3  o 165.9076 43.23855 11.37914       4.351697  3.963395       4.652020  68.49568       72.37658 
1 1 1 22  -4  4  o 89.49536 39.47170 2.311220       4.125515  -1.671963      4.448954  18.28310       64.23417 
1 1 1 22  -4  5  o 88.75949 39.37339 -1.029364      4.211274  1.679635       4.430284  -15.80300      64.61488 
1 1 1 22  -4  6  o 135.2377 52.23736 4.894063       5.904222  5.847443       6.584106  -6.187820      82.94917 
1 1 1 22  -4  7  o 91.49745 42.76444 0.4177280      5.854347  -4.105787      6.199287  13.18466       70.71758 
1 1 1 22  -4  8  o 134.6613 52.83992 8.669272       6.416251  1.517234       6.464689  37.44747       83.43330 
1 1 1 22  -4  9  o 103.0605 46.06609 0.5714856      5.798377  0.6230761      6.281238  -2.986702      74.67884 
1 1 1 22  -4  10 o 86.92274 38.86350 2.272146       4.239009  -2.563014      4.346230  23.88110       64.03576 
1 1 1 22  -4  11 o 148.7897 52.63968 6.588277       5.880999  7.012367       6.275635  -2.539093      84.52937 
1 1 1 22  -4  12 o 112.0263 47.87718 6.259113       6.011142  -1.353551      5.789948  36.99334       76.87570 
1 1 1 22  -4  13 o 88.12457 41.03169 -0.1357362     5.452492  -2.660979      5.462004  9.289444       67.83077 
1 1 1 22  -4  14 o 200.1100 49.91481 18.02810       6.459352  7.193041       5.925315  80.20334       86.35494 
1 1 1 22  -4  15 o 93.83524 40.03087 -3.132118      4.010356  6.175205       4.216650  -57.87827      64.87852 
1 1 1 22  -4  16 o 87.37820 38.03374 1.613911       3.938947  -0.2009771     3.780143  11.79101       62.03630 
1 1 1 22  -4  17 o 102.8074 40.86639 -0.4136729     3.870917  5.455249       3.925218  -41.12444      65.17298 
1 1 1 22  -4  18 o 104.7877 40.80213 0.7492384      3.824815  4.869093       3.807084  -29.37536      65.00131 
1 1 1 22  -4  19 o 77.51102 35.31541 -1.041986      3.715143  0.2464276      3.772910  -6.954216      58.15483 
1 1 1 22  -4  20 o 95.07596 39.59188 3.000580       3.876630  0.7737907      3.857399  13.92369       63.33042 
1 1 1 22  -3  0  f 104.5739 41.79891 2.369649       3.899907  3.157596       4.334469  -6.846054      66.83812 
1 1 1 22  -3  1  o 120.0140 44.08521 4.303812       4.018128  3.848731       4.663540  2.085052       70.76766 
1 1 1 22  -3  2  o 108.7405 42.54723 1.806156       3.985906  4.233883       4.372159  -18.27245      68.47727 
1 1 1 22  -3  3  o 99.17113 41.34629 1.508000       4.089960  2.004658       4.373430  -4.828568      66.77505 
1 1 1 22  -3  4  o 82.25186 37.41876 1.054696       4.192870  -2.322738      4.173041  16.72437       62.15207 
1 1 1 22  -3  5  o 326.1858 38.37403 27.40641       7.384565  27.76945       7.871134  5.304565       86.38201 
1 1 1 22  -3  6  o 190.3466 53.59186 15.51999       6.585928  6.381039       6.603746  65.72383       89.23058 
1 1 1 22  -3  7  o 126.8712 51.02074 3.374141       5.757285  4.648131       6.629667  -9.629669      81.72502 
1 1 1 22  -3  8  o 197.6216 39.90158 12.63238       4.568588  7.502171       4.893711  53.10002       75.34837 
1 1 1 22  -3  9  o 130.9540 50.84509 4.865543       5.895366  4.021042       5.929540  4.741135       81.33881 
1 1 1 22  -3  10 o 279.6105 41.65008 18.30453       6.803744  23.07967       7.223054  -34.24898      89.35532 
1 1 1 22  -3  11 o 118.5032 48.11341 6.025411       5.323336  -0.2876460     5.752713  32.78522       76.59029 
1 1 1 22  -3  12 o 112.5059 46.61091 -1.626398      5.125028  7.329774       5.541105  -52.01791      75.21963 
1 1 1 22  -3  13 o 100.7111 40.30350 -0.6536559E-01 3.553731  4.895967       4.147975  -39.76221      65.82773 
1 1 1 22  -3  14 o 163.1319 40.44790 6.944425       3.800703  7.648003       4.412973  -3.985138      72.95000 
1 1 1 22  -3  15 o 85.45643 37.79656 2.885849       3.860383  -2.709474      4.044342  29.32505       61.94351 
1 1 1 22  -3  16 o 162.2355 39.31198 6.699401       3.873818  7.784011       3.956095  -10.81580      71.18560 
1 1 1 22  -3  17 o 61.96883 30.15817 -1.696154      3.716944  -5.528228      3.698740  14.32664       52.60964 
1 1 1 22  -3  18 o 74.64025 34.51769 -1.703741      3.744998  -0.4054001     3.781724  -6.576935      57.56011 
1 1 1 22  -3  19 o 83.84423 36.70807 1.357442       3.684367  -0.1426646     3.593818  9.433609       59.73756 
1 1 1 22  -3  20 o 95.88291 39.74450 1.709994       3.865023  2.048032       3.877934  -2.205925      63.71526 
1 1 1 22  -3  21 o 109.2374 43.76964 3.786018       5.379631  2.937972       3.955778  8.699448       70.07079 
1 1 1 22  -2  0  o 71.80173 34.09957 -3.333563      3.929448  -0.7615396     4.324682  -13.97610      57.80106 
1 1 1 22  -2  1  o 166.0130 43.07940 7.148534       4.306558  8.770501       4.663035  -13.01744      76.17825 
1 1 1 22  -2  2  o 90.52554 39.84824 -0.3402216     4.275851  1.393369       4.407631  -10.13713      65.06358 
1 1 1 22  -2  3  f 109.9245 43.21082 4.152441       4.188342  1.248466       4.450791  18.17963       69.32055 
1 1 1 22  -2  4  o 103.3205 45.68370 0.3219428      5.435802  1.403607       6.162372  -9.120491      74.34406 
1 1 1 22  -2  5  o 467.5743 31.05356 63.94235       9.238708  43.45456       8.697613  100.5561       67.61052 
1 1 1 22  -2  6  o 154.9006 52.10021 5.636726       5.594248  8.660010       6.303352  -20.67622      85.33880 
1 1 1 22  -2  7  o 143.0716 44.27786 6.589311       4.177514  4.333171       4.501170  19.63057       73.78545 
1 1 1 22  -2  8  o 81.55447 39.14670 -5.118206      5.719091  -3.082914      5.749893  -6.764801      66.82658 
1 1 1 22  -2  9  o 255.6315 43.41552 19.14200       6.639167  15.29727       6.637938  33.12361       89.17328 
1 1 1 22  -2  10 o 313.3798 35.95468 22.81206       6.692353  26.32641       7.047414  -23.15503      78.94281 
1 1 1 22  -2  11 o 95.31156 40.52002 3.718019       3.982246  -2.412580      4.422772  33.04565       65.64109 
1 1 1 22  -2  12 o 224.4885 32.36775 12.85784       4.238034  11.87539       4.531288  13.51805       68.48673 
1 1 1 22  -2  13 o 76.00703 34.94263 1.991923       3.816747  -4.204876      3.736383  33.14288       59.31523 
1 1 1 22  -2  14 o 101.3810 48.49192 0.000000       0.000000  -3.728272      6.101779  ?              ?        
1 1 1 22  -2  15 o 111.2640 41.06759 1.041935       3.679741  5.233275       3.810171  -34.60629      66.19108 
1 1 1 22  -2  16 o 117.2296 40.74290 1.854962       3.483138  5.756664       3.785720  -35.18616      66.25949 
1 1 1 22  -2  17 o 93.67749 39.04313 1.443720       3.728880  1.497932       3.802675  -0.8857651     63.17068 
1 1 1 22  -2  18 o 105.2302 45.23967 0.000000       0.000000  1.879690       3.764272  ?              ?        
1 1 1 22  -2  19 o 157.0437 40.33194 5.632906       3.841446  8.368922       4.066772  -26.35078      71.23117 
1 1 1 22  -2  20 o 111.9673 40.87172 3.688618       3.768935  3.250400       3.618282  3.872200       65.87930 
1 1 1 22  -2  21 o 123.3983 41.57934 2.635924       3.777493  6.256309       3.759823  -30.86995      67.18647 
1 1 1 22  -2  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  -1  0  o 79.41572 36.81683 -1.202685      4.222941  -1.016194      4.425724  -2.560234      61.05888 
1 1 1 22  -1  1  o 145.7122 44.25607 -0.1365279     4.155925  13.70895       4.578107  -117.7134      66.44403 
1 1 1 22  -1  2  o 99.57565 41.41438 0.8392057      4.133766  2.639699       4.319664  -12.39012      67.05236 
1 1 1 22  -1  3  o 102.8051 42.22039 4.538403       4.252030  -0.8565139     4.380715  33.28178       67.93844 
1 1 1 22  -1  4  o 284.1100 40.44249 27.01786       7.121478  15.51403       6.746738  90.04123       85.93549 
1 1 1 22  -1  5  o 119.8678 49.60164 -1.617667      6.032022  7.273169       5.999530  -45.90292      79.44087 
1 1 1 22  -1  6  o 172.8960 43.40273 9.595366       4.526076  6.267891       4.779046  32.44385       76.72513 
1 1 1 22  -1  7  o 130.1298 50.76832 5.057249       5.626388  3.017575       6.257584  9.302307       81.39471 
1 1 1 22  -1  8  o 140.3679 52.00119 2.081432       5.677576  9.409926       6.412257  -47.31572      83.89523 
1 1 1 22  -1  9  o 144.8479 52.03254 4.356392       5.828650  7.338923       6.082551  -19.69165      84.11041 
1 1 1 22  -1  10 o 252.2284 30.72512 11.93894       4.502942  19.49566       4.944478  -67.27800      65.80182 
1 1 1 22  -1  11 o 87.92952 38.39786 -0.7253811     3.732335  1.430455       4.231692  -17.67651      63.81452 
1 1 1 22  -1  12 o 166.2614 41.44743 8.213273       4.107951  6.215295       4.429296  20.97137       73.86160 
1 1 1 22  -1  13 o 272.5095 33.47223 16.72081       6.370943  19.16510       4.966715  -38.39932      75.34368 
1 1 1 22  -1  14 o 161.4308 50.42764 7.497108       3.961412  0.000000       0.000000  ?              ?        
1 1 1 22  -1  15 o 126.6207 42.90122 -0.1548133     3.902863  9.202504       4.131225  -80.56274      66.80910 
1 1 1 22  -1  16 o 119.2561 41.79240 4.354210       3.730943  3.015573       3.912845  10.67509       68.09452 
1 1 1 22  -1  17 o 84.87676 36.87763 1.146528       3.470154  -0.3153082     3.773668  6.089058       60.36684 
1 1 1 22  -1  18 o 115.6084 40.93335 5.644218       3.600504  1.347162       3.744236  35.63692       65.57475 
1 1 1 22  -1  19 o 98.51916 39.25228 0.8372126E-01  3.499620  4.312765       3.718420  -32.55658      63.36368 
1 1 1 22  -1  20 o 92.05746 38.11637 -0.4658900     3.514972  3.631589       3.597018  -28.58797      61.53094 
1 1 1 22  -1  21 o 149.1256 38.15654 8.148186       3.636532  4.467748       3.457814  38.21820       66.85197 
1 1 1 22  -1  22 o 73.19565 33.58750 0.2190581      3.376777  -1.619324      3.563726  7.505280       55.56254 
1 1 1 22  0   0  o 161.9835 44.31279 8.431290       4.613485  6.825288       4.548343  14.13986       76.69410 
1 1 1 22  0   1  o 189.2977 40.47561 11.43380       4.770948  8.190330       4.462307  29.68069       76.52374 
1 1 1 22  0   2  o 148.6044 44.55693 7.021993       4.460439  5.397188       4.403075  14.27727       75.06603 
1 1 1 22  0   3  o 91.76737 42.72452 -1.537500      6.024667  -1.999808      5.811163  3.277718       71.02065 
1 1 1 22  0   4  o 154.8000 54.31656 6.168707       6.472713  7.785061       6.430736  -10.05475      87.74246 
1 1 1 22  0   5  o 153.1166 52.81606 11.18651       5.997327  1.873814       6.180295  61.07681       83.80702 
1 1 1 22  0   6  o 91.67115 40.76581 0.5813292      3.978933  -1.640266      5.863391  -5.834007      68.11214 
1 1 1 22  0   7  o 159.9416 50.33899 8.510285       5.385266  5.716612       5.779813  21.16058       83.32609 
1 1 1 22  0   8  o 132.6765 50.61955 6.409778       5.623610  2.201154       5.968194  24.19418       81.07203 
1 1 1 22  0   9  o 213.1507 34.89814 11.09080       4.411952  11.49293       4.498838  -3.439499      71.62183 
1 1 1 22  0   10 o 125.7069 42.51377 2.035413       3.670857  6.756650       4.278456  -43.74799      69.92561 
1 1 1 22  0   11 o 97.43394 40.00213 3.472815       3.741738  -0.9053425     4.016641  27.56925       64.79440 
1 1 1 22  0   12 o 87.50561 38.10151 1.410876       3.672066  -1.205149      4.112165  11.14960       62.74604 
1 1 1 22  0   13 o 173.2605 51.63238 0.000000       0.000000  8.544700       4.217593  ?              ?        
1 1 1 22  0   14 o 246.4207 34.52696 16.56361       4.332638  11.34304       6.647246  68.65613       76.86709 
1 1 1 22  0   15 o 262.0547 27.89231 14.39102       4.265306  18.77784       4.694556  -35.99727      59.68108 
1 1 1 22  0   16 o 87.52009 37.98695 0.4681431      3.703494  0.4091845      3.958947  -2.057121      62.44589 
1 1 1 22  0   17 o 91.13976 38.74682 -2.164743      3.791075  4.197413       3.863963  -41.49082      63.16214 
1 1 1 22  0   18 o 85.24643 37.31102 -0.7033518     3.604806  1.650916       3.928683  -16.82631      61.46424 
1 1 1 22  0   19 o 104.9086 40.52006 4.797440       3.608517  0.1200362      3.887588  33.20765       64.50175 
1 1 1 22  0   20 o 94.43359 39.17082 1.590817       3.774849  1.523706       3.753519  0.5925140      63.33130 
1 1 1 22  0   21 o 84.04156 36.49964 1.262857       3.467381  0.3866098E-01  3.608178  6.234177       59.33596 
1 1 1 22  0   22 o 123.5682 40.04784 6.567008       3.484706  2.118321       3.529117  41.04118       64.77966 
1 1 1 22  0   23 o 92.52513 41.16080 0.000000       0.000000  0.9174076      3.359689  ?              ?        
1 1 1 22  1   0  o 105.3917 42.26088 2.991365       4.249773  1.995008       4.161535  6.995834       67.92691 
1 1 1 22  1   1  o 110.9460 43.54771 -0.4561907     4.334901  6.323545       4.417303  -46.42358      69.51373 
1 1 1 22  1   2  o 167.2666 42.35798 6.882619       4.415272  8.342505       4.382641  -14.37247      75.38449 
1 1 1 22  1   3  o 133.3239 52.59989 4.107092       6.391314  4.965745       6.433599  -4.712692      83.98939 
1 1 1 22  1   4  o 152.6077 53.77917 4.362367       6.359722  8.866165       6.299563  -28.38371      86.64611 
1 1 1 22  1   5  o 125.0491 50.56004 8.999091       6.309052  -1.484170      5.861254  59.77706       81.26424 
1 1 1 22  1   6  o 115.3548 48.53935 4.086427       6.004714  0.3139622      5.809369  20.27850       78.56548 
1 1 1 22  1   7  o 132.1517 50.13538 7.666544       5.535851  0.7543590      5.788866  41.92078       79.91068 
1 1 1 22  1   8  o 185.2467 50.44948 9.342031       5.725007  9.913413       6.209748  -3.058945      87.81243 
1 1 1 22  1   9  o 79.45995 36.17499 -0.9549466     3.812538  -1.065714      4.033651  -1.912415      60.77651 
1 1 1 22  1   10 o 148.8611 42.08319 6.751043       3.852918  4.671142       4.299674  20.10713       71.96612 
1 1 1 22  1   11 o 111.9023 42.59232 1.902304       3.896783  3.796301       4.319455  -16.97131      69.49111 
1 1 1 22  1   12 o 80.75740 36.34455 2.475261       3.700099  -4.185831      3.955729  34.13418       60.65699 
1 1 1 22  1   13 o 103.6254 45.43597 0.000000       0.000000  0.6136546      3.954502  ?              ?        
1 1 1 22  1   14 o 133.1607 42.84929 2.755163       3.848873  6.861585       4.213908  -38.14751      70.83806 
1 1 1 22  1   15 o 257.4120 28.22872 15.75898       4.391733  15.76686       4.476798  0.8124237      60.31699 
1 1 1 22  1   16 o 188.7726 36.55490 13.05610       4.137749  5.109325       4.114111  83.24205       67.61211 
1 1 1 22  1   17 o 152.1391 41.66688 8.936874       4.073671  3.654005       4.021332  51.48462       70.45859 
1 1 1 22  1   18 o 137.2406 41.86950 4.916016       3.924971  5.398949       3.854432  -4.551437      70.38689 
1 1 1 22  1   19 o 122.9947 41.81264 3.476897       3.813357  4.792651       3.809536  -11.36643      68.37991 
1 1 1 22  1   20 o 82.53531 36.46559 -0.9943767     3.536177  1.603188       3.812321  -17.53094      60.11100 
1 1 1 22  1   21 o 83.64846 36.44696 -0.4532755     3.468759  1.564133       3.636200  -13.78306      59.68987 
1 1 1 22  1   22 o 124.2013 40.14738 4.549687       3.522218  4.299836       3.528893  2.317665       66.25780 
1 1 1 22  1   23 o 109.0922 40.12082 -1.706849      3.450644  8.980926       3.696512  -88.42189      60.89389 
1 1 1 22  1   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  2   0  o 127.6619 44.14127 5.675361       4.273750  3.487469       4.231531  17.45266       71.69843 
1 1 1 22  2   1  o 157.6112 43.29345 7.006886       4.414773  6.815161       4.311109  1.470871       75.08961 
1 1 1 22  2   2  o 209.8712 35.99963 11.94495       4.526749  10.47625       4.509392  15.22868       73.25481 
1 1 1 22  2   3  o 222.7653 46.76361 11.03048       6.180643  16.12811       6.333906  -42.41592      88.60382 
1 1 1 22  2   4  o 293.4876 39.01216 24.27813       7.002739  19.36942       6.853031  38.68336       84.63938 
1 1 1 22  2   5  o 139.0901 44.24149 5.502206       4.311113  4.728120       4.276696  6.877991       73.74812 
1 1 1 22  2   6  o 133.8806 51.01208 5.907617       5.817212  3.010587       5.931332  17.11711       82.02126 
1 1 1 22  2   7  o 134.1417 52.03220 9.996310       6.291722  -0.8496713     6.087487  63.76945       82.73139 
1 1 1 22  2   8  o 196.8502 42.84407 15.59370       6.453890  7.648275       4.327168  60.68715       82.15899 
1 1 1 22  2   9  o 317.4433 25.28777 21.48598       4.862947  25.48662       5.017585  -28.85596      52.98249 
1 1 1 22  2   10 o 311.6155 25.03272 17.85132       4.519084  28.60553       5.136339  -76.82217      52.85246 
1 1 1 22  2   11 o 271.0517 26.97089 19.19761       4.317026  14.98800       4.651121  40.92242       58.60828 
1 1 1 22  2   12 f 212.1055 32.39966 9.206850       3.871593  13.23880       4.442981  -38.39136      66.90835 
1 1 1 22  2   13 o 113.4343 44.06608 3.279798       5.275866  2.452028       3.910257  13.84624       72.56441 
1 1 1 22  2   14 o 92.34055 38.78325 0.4531135      3.653813  1.512802       3.872975  -9.184158      63.67536 
1 1 1 22  2   15 o 263.0973 26.67725 15.64538       4.196983  17.02145       4.397501  -10.73489      56.61792 
1 1 1 22  2   16 o 208.9277 32.61068 11.13873       4.088796  10.27397       4.088036  9.482071       67.47565 
1 1 1 22  2   17 o 440.2693 20.49377 41.60217       5.366375  47.77396       5.825123  -29.41968      42.10076 
1 1 1 22  2   18 o 125.5124 41.81403 4.690081       3.824318  3.689852       3.800731  8.990242       68.89037 
1 1 1 22  2   19 o 127.6043 42.23628 3.973758       3.838880  4.948832       3.946117  -8.750587      69.58037 
1 1 1 22  2   20 o 98.39952 39.28621 0.2973161      3.609009  3.809560       3.626539  -25.68951      63.25472 
1 1 1 22  2   21 o 127.0801 40.89265 4.191947       3.699164  4.793294       3.622730  -5.519341      67.69724 
1 1 1 22  2   22 o 95.34304 38.66821 3.412946       3.622375  0.4798298      3.509423  21.37188       62.26851 
1 1 1 22  2   23 o 80.81639 35.51228 0.5798264      3.442129  0.2704099      3.424430  1.991524       57.90891 
1 1 1 22  2   24 o 97.45399 38.80655 2.366192       3.698807  2.233818       3.366176  2.534187       62.17727 
1 1 1 22  3   0  o 123.4402 44.13283 3.592648       4.339848  4.735700       4.215106  -8.445290      71.38213 
1 1 1 22  3   1  o 69.66065 33.39167 -2.680894      4.087358  -3.510237      4.195465  2.009285       57.26986 
1 1 1 22  3   2  o 280.1984 41.58993 0.000000       0.000000  20.60607       4.956708  ?              ?        
1 1 1 22  3   3  o 312.4365 37.14054 20.35059       6.872800  29.10327       7.258015  -64.04962      81.61613 
1 1 1 22  3   4  o 144.8998 52.64196 8.318562       5.964764  2.768962       6.273251  33.95338       84.31869 
1 1 1 22  3   5  o 84.21514 37.98613 3.220595       4.237260  -4.508667      4.166578  42.06097       63.90412 
1 1 1 22  3   6  o 117.5441 48.94311 5.768472       6.255794  -0.3720531     5.613306  35.93971       79.68687 
1 1 1 22  3   7  o 120.3751 49.49791 1.973848       5.890197  3.426796       5.991606  -8.307396      79.97987 
1 1 1 22  3   8  o 349.6796 24.13480 27.43238       5.198017  29.05028       5.208098  -10.89615      50.07590 
1 1 1 22  3   9  o 96.68469 40.63145 0.6343625      4.147276  1.385462       4.111216  -4.472511      66.65493 
1 1 1 22  3   10 o 619.9846 19.34857 86.96313       7.358652  86.85722       7.507884  1.182434       39.37709 
1 1 1 22  3   11 o 220.8302 33.02524 10.39680       4.216154  13.49508       4.576484  -29.34627      68.54144 
1 1 1 22  3   12 o 276.8317 26.76322 22.55596       4.490684  13.13118       4.588192  83.90149       59.46154 
1 1 1 22  3   13 o 161.5080 40.44924 6.053420       4.007082  7.485396       4.080402  -14.72119      72.23366 
1 1 1 22  3   14 o 100.8498 40.57066 -0.7398382     3.760693  4.633729       4.030554  -41.16164      66.01537 
1 1 1 22  3   15 o 251.6689 27.96594 15.59951       4.252613  14.42860       4.333074  12.12761       59.72725 
1 1 1 22  3   16 o 185.6663 35.69949 7.946698       3.946427  9.349642       3.978365  -15.42441      69.63522 
1 1 1 22  3   17 o 235.6463 29.21086 17.26220       4.279879  9.755323       4.084134  74.17445       62.53618 
1 1 1 22  3   18 o 83.47320 36.47459 1.598904       3.495014  -1.338460      3.664611  16.38372       60.08665 
1 1 1 22  3   19 o 168.4703 38.83955 6.409731       3.861097  8.805703       4.101498  -24.08476      71.35087 
1 1 1 22  3   20 o 136.3927 40.43259 3.942693       3.566893  6.451167       3.772220  -24.53268      68.26868 
1 1 1 22  3   21 o 106.7851 40.35210 6.006812       3.671248  -0.2495336     3.642585  49.26250       63.98578 
1 1 1 22  3   22 o 86.20461 37.02904 4.597270       3.724478  -2.359432      3.416983  47.92364       60.79805 
1 1 1 22  3   23 o 114.9788 41.01830 6.710974       3.792556  1.088333       3.598744  46.56289       65.41835 
1 1 1 22  3   24 o 159.0441 49.93854 0.000000       0.000000  8.431898       3.879852  ?              ?        
1 1 1 22  3   25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  4   0  o 82.24332 37.56534 -0.4425264     4.276975  -1.023378      4.263219  2.863907       62.23618 
1 1 1 22  4   1  o 137.5176 44.93836 9.117870       4.414815  1.436046       4.406444  63.29490       71.57190 
1 1 1 22  4   2  o 207.7292 36.69323 11.26001       4.567607  10.76067       4.543264  4.978256       74.08494 
1 1 1 22  4   3  o 115.0087 48.28572 -0.4357786     5.866215  4.810783       5.780073  -26.36461      77.84991 
1 1 1 22  4   4  o 205.1557 50.48949 15.09264       6.562505  8.631115       6.214065  50.46202       89.79199 
1 1 1 22  4   5  o 210.9550 49.67208 11.86547       6.542354  12.50015       6.251192  -6.891312      90.95374 
1 1 1 22  4   6  o 223.1746 48.44818 10.67418       6.522393  16.26884       6.506393  -46.73038      90.25165 
1 1 1 22  4   7  o 95.05761 43.28888 -2.865736      5.655570  0.7334716      5.577974  -14.60657      72.04697 
1 1 1 22  4   8  o 144.9411 44.38019 7.949207       4.388477  3.101310       4.340877  43.59050       73.46691 
1 1 1 22  4   9  o 237.6219 30.71180 14.99696       4.491200  12.03950       4.354379  28.54597       65.01461 
1 1 1 22  4   10 o 134.5192 43.72536 6.315908       4.225938  2.948245       4.132740  30.21059       72.18407 
1 1 1 22  4   11 o 181.0542 38.40056 10.05257       4.041297  6.155545       4.331748  42.27480       71.32059 
1 1 1 22  4   12 o 316.6086 23.93275 21.72470       4.520890  24.67166       4.825066  -19.85022      49.67483 
1 1 1 22  4   13 o 99.93661 40.57412 2.011541       3.837821  1.097431       4.027902  4.766754       66.25665 
1 1 1 22  4   14 o 124.4300 42.18783 -0.1298710     3.679796  8.915462       4.116656  -82.33628      66.22801 
1 1 1 22  4   15 o 263.6845 27.00072 15.32763       4.187215  17.65080       4.542859  -17.87410      57.35408 
1 1 1 22  4   16 o 230.8472 29.98508 12.79173       4.146197  12.81548       4.240347  0.7093811      63.70964 
1 1 1 22  4   17 o 217.9903 31.48558 15.34766       4.191205  7.966419       4.079810  76.88585       65.10464 
1 1 1 22  4   18 o 305.8317 23.64516 22.36504       4.435779  21.22172       4.466372  9.225098       49.49085 
1 1 1 22  4   19 o 95.89832 39.26057 -0.7782344     3.589374  4.247495       3.857801  -37.67875      63.88774 
1 1 1 22  4   20 o 234.5556 28.68836 12.68843       4.057283  14.21006       4.118130  -15.03477      61.91745 
1 1 1 22  4   21 o 102.6849 40.16733 2.285033       3.724997  2.601444       3.698891  -2.184860      64.72748 
1 1 1 22  4   22 o 231.9074 28.64336 13.97181       3.993203  12.59167       4.074137  15.79935       62.27024 
1 1 1 22  4   23 o 77.81200 35.15807 -1.504283      3.613783  1.044786       3.620521  -13.58749      57.91687 
1 1 1 22  4   24 o 172.9962 36.37006 8.160431       3.854431  8.236428       3.707665  -2.486008      69.63447 
1 1 1 22  4   25 o 183.1904 33.87752 8.014640       3.648398  10.15717       3.770557  -22.70691      67.81134 
1 1 1 22  5   0  f 77.45422 36.01936 -1.400475      4.143822  -1.531761      4.227941  -0.2399216     60.31247 
1 1 1 22  5   1  o 100.5375 41.61362 3.296844       4.259141  0.2136199      4.212588  19.71381       67.35675 
1 1 1 22  5   2  o 232.3746 32.56762 12.16340       4.479228  14.62381       4.657616  -23.06186      69.20574 
1 1 1 22  5   3  o 184.7866 40.66827 8.135133       4.531572  9.740127       4.538503  -16.20880      76.01803 
1 1 1 22  5   4  o 392.2400 32.32245 37.09074       7.784224  37.06688       7.805403  0.3783569      69.25053 
1 1 1 22  5   5  o 290.8821 38.96577 30.46272       7.225596  13.62538       6.534931  127.9401       82.15173 
1 1 1 22  5   6  o 107.0086 47.30690 1.339394       6.462317  -0.3633481     5.931036  11.08903       77.65754 
1 1 1 22  5   7  o 93.12861 42.91154 -4.837206      5.725166  1.610545       5.755362  -26.27482      72.08041 
1 1 1 22  5   8  o 317.4547 30.10049 23.01411       7.286747  24.33218       5.033193  -32.82220      71.30574 
1 1 1 22  5   9  o 105.8525 42.02044 4.898801       4.207666  -0.6161393     4.029604  41.23795       68.18714 
1 1 1 22  5   10 f 78.61823 36.10398 -4.609941      3.916461  2.088564       4.123703  -37.44410      61.87943 
1 1 1 22  5   11 o 90.70934 39.19823 -0.6055657     3.924367  1.362315       4.159131  -14.47000      64.97511 
1 1 1 22  5   12 o 67.84541 32.50189 -1.396398      3.830906  -5.323988      3.993279  14.31760       56.62823 
1 1 1 22  5   13 o 311.2083 24.01033 25.05861       4.652430  19.76414       4.548054  39.70850       50.28221 
1 1 1 22  5   14 o 119.4977 41.99762 4.228472       3.847636  2.699928       3.868657  13.04073       68.78478 
1 1 1 22  5   15 o 234.4226 31.28279 13.93590       4.355711  12.57323       4.520067  15.57994       66.52213 
1 1 1 22  5   16 o 267.1743 26.57260 16.35363       4.338123  17.25532       4.353236  -8.039261      56.38601 
1 1 1 22  5   17 o 171.6112 38.46020 10.54642       4.050997  4.748372       3.936770  61.04054       69.03841 
1 1 1 22  5   18 o 380.9924 21.22351 33.80937       4.933242  32.86224       5.061396  6.816711       43.77056 
1 1 1 22  5   19 o 113.2667 41.32909 2.172753       3.728562  4.194322       3.820763  -17.05481      67.14848 
1 1 1 22  5   20 o 213.6538 31.21599 14.97462       4.071819  7.905145       3.960606  74.84082       64.71878 
1 1 1 22  5   21 o 120.1195 41.12560 3.164123       3.549896  4.841465       3.844443  -15.25862      67.32536 
1 1 1 22  5   22 o 193.7209 32.52417 12.24354       3.790116  7.082307       3.750253  57.76164       65.36201 
1 1 1 22  5   23 o 101.9077 39.61224 6.027793       3.661945  -0.7478400     3.525405  52.38651       62.89020 
1 1 1 22  5   24 o 178.4284 35.38595 8.572397       3.789240  8.706024       3.767354  -1.773178      69.26480 
1 1 1 22  5   25 o 122.6953 39.72102 3.745790       3.480465  5.108133       3.420834  -12.64803      65.22522 
1 1 1 22  6   0  f 139.0012 45.09911 4.327314       4.355316  6.731389       4.543421  -19.89214      74.33039 
1 1 1 22  6   1  o 68.19296 32.95975 -2.029733      4.301063  -5.173609      4.170858  12.81862       57.09949 
1 1 1 22  6   2  o 79.46605 36.83504 0.4247240      4.386271  -3.369480      4.261962  18.52377       62.16260 
1 1 1 22  6   3  o 91.82057 39.86023 -1.979221      4.154755  3.105580       4.273411  -30.66431      65.64629 
1 1 1 22  6   4  o 442.2387 30.98845 45.73383       8.418239  47.91039       8.476573  -11.33627      65.76192 
1 1 1 22  6   5  o 108.0402 46.69977 3.563344       5.711597  -1.507322      5.753634  24.62422       76.23431 
1 1 1 22  6   6  o 142.3876 44.60843 5.320952       4.279823  5.329167       4.488902  -0.4481659     74.71247 
1 1 1 22  6   7  o 139.6764 51.83889 9.233125       6.156496  1.229526       5.815999  51.59177       83.19659 
1 1 1 22  6   8  o 169.8068 53.42314 6.621758       6.393037  9.471310       6.165864  -20.40472      88.61401 
1 1 1 22  6   9  f 342.6727 24.09325 34.35119       5.390226  21.20473       4.832854  86.40225       50.65738 
1 1 1 22  6   10 o 216.8491 34.50079 12.42059       4.533836  10.54183       4.438848  18.92311       70.78976 
1 1 1 22  6   11 o 356.2056 23.05254 26.99807       4.935480  31.38094       5.208264  -27.16745      47.54139 
1 1 1 22  6   12 o 274.4403 27.02435 16.69087       4.491546  18.54587       4.592186  -15.46133      57.07219 
1 1 1 22  6   13 o 233.3717 30.35241 13.76434       4.474872  12.34427       4.126245  11.34689       64.26652 
1 1 1 22  6   14 o 156.4464 41.09933 5.390956       4.088589  7.277789       3.992058  -19.32141      72.06013 
1 1 1 22  6   15 o 128.5675 45.68171 5.234823       3.955492  2.034107       5.620696  15.65067       74.25985 
1 1 1 22  6   16 o 247.5382 28.36581 16.27789       4.341519  12.97900       4.215412  31.05617       60.65137 
1 1 1 22  6   17 o 70.11337 32.99133 -0.8033476     3.625470  -3.600823      3.751814  11.57217       56.50188 
1 1 1 22  6   18 o 379.3163 20.87267 36.17283       4.976316  30.01223       4.812515  36.96072       43.05576 
1 1 1 22  6   19 o 175.2350 37.08021 7.686730       3.867677  8.196915       3.942938  -5.136230      70.37740 
1 1 1 22  6   20 f 75.92583 34.68384 -1.477463      3.567542  -0.1937459     3.720278  -8.416183      58.05303 
1 1 1 22  6   21 o 209.2361 30.74234 11.85933       3.821840  9.981348       3.922659  22.37329       65.02428 
1 1 1 22  6   22 o 121.8332 40.72086 5.581985       3.562609  2.628264       3.670254  26.22847       66.22852 
1 1 1 22  6   23 o 175.2216 36.24289 8.260116       3.784347  8.189523       3.834732  1.292160       69.67464 
1 1 1 22  6   24 o 142.9107 38.90826 7.061471       3.549314  4.690827       3.533204  24.31026       67.11703 
1 1 1 22  6   25 o 165.3372 36.53739 4.994471       3.545896  10.54822       3.758233  -58.35748      66.39818 
1 1 1 22  6   26 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  7   0  o 298.0436 28.65101 24.61911       5.377617  18.78839       5.097410  44.53415       62.27523 
1 1 1 22  7   1  o 196.3799 39.76153 14.88776       4.888676  6.379035       4.491260  80.33463       73.69322 
1 1 1 22  7   2  o 119.3849 44.08261 7.412018       4.422697  0.1508543      4.212574  55.56938       70.26747 
1 1 1 22  7   3  o 148.6843 44.12241 10.15144       4.420746  2.096573       4.307290  72.01921       71.36349 
1 1 1 22  7   4  o 119.8428 44.33627 6.637420       4.451789  0.5056146      4.287330  47.14050       71.20878 
1 1 1 22  7   5  o 161.1983 52.97920 12.83176       6.315539  2.381488       5.953348  73.31476       84.99290 
1 1 1 22  7   6  o 142.0167 51.85931 4.000861       6.057195  6.398099       5.836049  -14.66585      83.82088 
1 1 1 22  7   7  o 150.1091 52.30805 2.614368       5.751313  10.22578       6.231698  -52.44096      84.58803 
1 1 1 22  7   8  o 214.5974 49.24430 12.68172       6.553948  12.31517       6.286601  1.502640       91.07957 
1 1 1 22  7   9  o 165.9750 42.41542 9.409921       4.551507  5.245512       4.231516  40.45854       74.56810 
1 1 1 22  7   10 o 206.9720 35.13607 9.015616       4.331113  12.05777       4.369027  -32.11697      70.70802 
1 1 1 22  7   11 o 225.8102 32.19682 12.78753       4.357005  11.75440       4.408197  11.21252       67.48438 
1 1 1 22  7   12 o 206.2167 35.34605 8.526767       4.321413  12.45416       4.397292  -41.12566      70.68011 
1 1 1 22  7   13 o 197.2070 36.63997 4.054098       4.206417  15.94202       4.437379  -118.1859      66.07229 
1 1 1 22  7   14 o 101.8023 42.91665 -2.161257      5.872972  2.755059       3.943014  -10.69495      70.00304 
1 1 1 22  7   15 o 354.0837 33.05484 30.38435       5.074519  0.000000       0.000000  ?              ?        
1 1 1 22  7   16 o 115.0152 41.98861 4.508032       4.025476  1.919551       3.778176  22.57626       68.46685 
1 1 1 22  7   17 o 109.1633 41.27133 4.009167       3.891537  1.354252       3.764497  21.84673       67.07574 
1 1 1 22  7   18 o 101.9680 39.89549 -0.6675238     3.664292  4.816951       3.660620  -42.33553      64.10903 
1 1 1 22  7   19 o 185.1638 33.61063 11.46597       3.829289  6.055441       3.616632  59.70459       65.25503 
1 1 1 22  7   20 f 312.8683 22.63481 23.46765       4.384413  22.30155       4.342357  8.492493       47.34518 
1 1 1 22  7   21 o 86.40460 39.92128 0.000000       0.000000  -1.055708      3.547338  ?              ?        
1 1 1 22  7   22 o 114.6640 40.57125 4.601798       3.661420  2.626952       3.551304  17.04045       65.78955 
1 1 1 22  7   23 o 285.0657 23.55143 23.10954       4.221564  16.02224       4.039499  58.18626       51.05987 
1 1 1 22  7   24 o 78.97747 34.93219 -0.1125672     3.317200  0.7621730      3.432878  -6.135483      57.04011 
1 1 1 22  7   25 o 100.0232 38.61497 2.618250       3.354876  2.582229       3.437987  -0.5593109E-01 61.84236 
1 1 1 22  7   26 o 100.6070 38.80072 4.409659       3.435886  1.136702       3.415979  24.77361       61.70348 
1 1 1 22  8   0  o 116.3288 44.21142 2.910636       4.538609  3.924391       4.282137  -6.068382      71.09452 
1 1 1 22  8   1  o 110.2883 43.86755 4.630481       4.652942  1.031091       4.350338  25.05716       70.77313 
1 1 1 22  8   2  o 88.21033 39.36613 -0.5071189     4.438394  0.3678125      4.327367  -3.492096      64.78311 
1 1 1 22  8   3  o 233.6170 33.69030 12.48279       4.723005  14.68168       4.759996  -21.78383      71.38715 
1 1 1 22  8   4  o 140.3807 44.23948 6.906598       4.318135  3.701335       4.286545  28.21700       73.33837 
1 1 1 22  8   5  o 98.06969 44.87527 -1.965720      5.729394  0.2646268E-02  6.628123  -14.37259      74.83646 
1 1 1 22  8   6  o 97.97733 44.72741 4.571887       5.954749  -7.180488      6.134768  46.76585       74.80710 
1 1 1 22  8   7  o 98.86294 41.55272 2.576907       4.355717  -0.2845013     4.284074  18.45868       68.05943 
1 1 1 22  8   8  o 252.1636 45.80576 14.09133       6.978594  19.17565       6.826351  -44.01584      91.32920 
1 1 1 22  8   9  o 209.8071 49.74758 12.67390       6.523330  11.40168       6.237456  9.008362       90.89512 
1 1 1 22  8   10 o 195.0863 37.96048 10.26177       4.505775  8.922020       4.354979  13.15968       73.85889 
1 1 1 22  8   11 o 115.5708 43.16360 4.354125       4.082650  1.539857       4.237397  20.68974       70.03213 
1 1 1 22  8   12 o 127.3889 43.81266 2.821800       4.011309  5.526336       4.388937  -24.37316      72.07252 
1 1 1 22  8   13 o 84.69467 37.66315 -0.5458011     3.988222  -0.1407471     3.960585  -1.987801      62.70985 
1 1 1 22  8   14 o 107.4166 45.92930 0.000000       0.000000  1.279270       3.841054  ?              ?        
1 1 1 22  8   15 o 247.4220 34.69147 16.83251       4.549865  11.87370       6.168964  61.54677       75.92893 
1 1 1 22  8   16 o 287.8739 25.50057 19.71091       4.571545  19.10874       4.444516  3.865021       53.72580 
1 1 1 22  8   17 o 320.1662 23.22176 23.64432       4.683980  23.81328       4.483828  -2.899384      48.35686 
1 1 1 22  8   18 o 124.4749 41.71021 5.128683       3.918130  2.988228       3.678641  20.10724       68.77277 
1 1 1 22  8   19 o 138.0681 41.22041 4.570068       3.768311  5.685975       3.830128  -10.88637      69.75219 
1 1 1 22  8   20 o 378.7422 20.35667 31.94927       4.685146  34.35296       4.849201  -13.53934      42.03594 
1 1 1 22  8   21 o 70.77419 32.84373 -0.8177806     3.411664  -1.758361      3.493178  3.800102       55.23372 
1 1 1 22  8   22 o 109.2695 39.95728 -0.9295332     3.455325  7.604802       3.610359  -71.91978      62.02097 
1 1 1 22  8   23 o 284.3141 23.81525 18.51487       4.085028  20.29520       4.242731  -13.11441      50.86016 
1 1 1 22  8   24 o 157.5566 38.30198 8.104362       3.732524  5.948174       3.681127  22.44499       68.98288 
1 1 1 22  8   25 o 149.7891 37.91496 7.032082       3.506857  5.821444       3.544590  13.19675       67.44004 
1 1 1 22  8   26 o 91.48714 37.35790 1.952334       3.254551  1.923086       3.463389  -0.8549881     59.64703 
1 1 1 22  9   0  o 140.7834 45.00597 5.614154       4.293451  5.890507       4.600476  -2.012634      74.47951 
1 1 1 22  9   1  o 215.0203 42.76110 10.93174       6.352829  13.50297       4.922304  -36.32169      82.99911 
1 1 1 22  9   2  o 232.2951 35.09324 12.38207       4.972251  14.97715       4.829510  -27.79236      74.11530 
1 1 1 22  9   3  o 78.75880 36.55400 -1.972602      4.428266  -1.179525      4.141692  -0.6603241     61.40697 
1 1 1 22  9   4  o 328.1753 25.94351 22.95944       5.311109  27.65710       5.168767  -36.04770      55.33905 
1 1 1 22  9   5  o 79.52099 36.77752 -1.777233      4.359081  -1.355108      4.192327  -0.1886749     61.97137 
1 1 1 22  9   6  f 84.68412 40.30931 -2.982129      5.752318  -4.353379      5.875933  3.516045       68.59737 
1 1 1 22  9   7  o 361.4892 34.01925 27.54279       7.334037  36.27921       7.761663  -54.82376      73.87197 
1 1 1 22  9   8  o 234.1517 47.51318 19.62219       7.351456  11.09075       6.140879  61.98051       91.18303 
1 1 1 22  9   9  o 297.7100 38.49915 25.06157       7.349771  19.74098       6.597996  34.56732       83.38072 
1 1 1 22  9   10 o 100.8088 41.66455 -2.856977      4.278731  5.596396       4.197467  -54.83463      67.04819 
1 1 1 22  9   11 f 153.3202 43.99539 6.305832       4.359103  6.135675       4.447164  1.592529       75.40677 
1 1 1 22  9   12 o 186.3726 38.13476 6.225785       4.091861  11.83597       4.450914  -57.11919      71.44123 
1 1 1 22  9   13 o 209.0603 34.07418 12.78202       4.261796  8.706850       4.271891  43.64886       69.16349 
1 1 1 22  9   14 o 130.9311 50.02486 0.000000       0.000000  4.188025       4.000970  ?              ?        
1 1 1 22  9   15 f 318.5107 24.63656 24.15326       4.704981  23.01902       4.965218  10.77066       51.72073 
1 1 1 22  9   16 o 174.8083 39.45245 8.267066       4.178465  7.546133       4.174012  7.574097       73.13213 
1 1 1 22  9   17 o 241.2669 29.19812 12.52863       4.274426  15.39266       4.287759  -28.63603      62.53843 
1 1 1 22  9   18 o 288.7250 24.66250 17.40998       4.343853  21.68904       4.406526  -35.12369      52.30025 
1 1 1 22  9   19 o 288.0111 24.63371 16.14987       4.301030  23.09939       4.419012  -57.20993      53.04805 
1 1 1 22  9   20 o 102.0202 39.75462 2.598864       3.672678  1.990735       3.578516  5.234299       64.37537 
1 1 1 22  9   21 o 239.7923 27.42688 16.24773       4.051220  11.87402       3.963017  43.54167       59.70547 
1 1 1 22  9   22 o 70.43340 32.79430 -0.3345748E-01 3.447340  -2.564140      3.525873  11.45698       55.03545 
1 1 1 22  9   23 o 171.6019 35.84526 10.77731       3.715642  5.141383       3.669621  61.60626       66.04256 
1 1 1 22  9   24 o 179.5397 34.81282 5.728785       3.583803  12.21798       3.912179  -67.96254      66.10427 
1 1 1 22  9   25 o 81.32809 35.59305 -0.1091593     3.350472  1.537856       3.489212  -10.78947      57.69933 
1 1 1 22  9   26 o 94.37453 37.84698 0.6346961      3.320922  3.947424       3.427234  -24.13203      60.30846 
1 1 1 22  10  0  o 162.5308 44.27438 7.818804       4.431445  7.274852       4.753261  6.383743       76.85477 
1 1 1 22  10  1  o 157.0684 45.35325 6.672207       4.589924  7.582263       4.743153  -7.436432      77.26752 
1 1 1 22  10  2  o 266.1266 31.30844 19.32646       4.980063  15.41007       5.164463  38.73717       68.63040 
1 1 1 22  10  3  o 95.05878 41.05850 1.680679       4.459929  0.1157845      4.390430  9.222107       66.92103 
1 1 1 22  10  4  o 175.6975 41.98351 7.408958       4.457385  9.243926       4.570988  -17.48779      76.27444 
1 1 1 22  10  5  o 154.4012 48.12605 3.407995       5.794000  8.764458       4.615662  -40.41861      78.33516 
1 1 1 22  10  6  o 259.8997 31.09213 16.54617       4.961913  16.14137       4.866214  2.726624       66.84913 
1 1 1 22  10  7  o 131.2360 51.61253 1.052716       5.997451  7.370327       6.329149  -37.15659      83.00082 
1 1 1 22  10  8  o 135.1578 51.71191 5.467390       5.906095  3.383952       6.208938  11.21613       83.24765 
1 1 1 22  10  9  o 161.4099 53.31943 10.15858       6.725785  5.176122       5.785074  34.94885       88.06487 
1 1 1 22  10  10 o 208.8458 50.81590 14.47644       7.154268  10.31656       6.028745  27.51520       92.38271 
1 1 1 22  10  11 o 150.8882 43.79208 3.627346       4.317311  8.485849       4.360699  -44.99704      73.38901 
1 1 1 22  10  12 o 108.0953 42.49615 0.3011204      4.135942  4.415021       4.209954  -29.96925      68.85474 
1 1 1 22  10  13 o 81.83183 37.09404 -2.813207      4.043283  1.132644       4.087919  -21.17822      62.28658 
1 1 1 22  10  14 o 112.6629 44.80256 0.4502695      5.890479  3.533991       4.008540  -6.559387      72.82410 
1 1 1 22  10  15 o 110.2781 42.34229 1.987960       4.071469  3.281602       4.062827  -9.594666      68.77649 
1 1 1 22  10  16 o 98.33063 40.53518 -1.718569      4.005578  4.591005       3.988435  -42.50395      65.61749 
1 1 1 22  10  17 o 191.7328 37.01424 11.10025       4.361658  7.769234       4.133312  33.98071       71.87954 
1 1 1 22  10  18 o 227.9014 31.11869 12.57653       4.369721  12.80563       4.204111  -4.285095      66.24920 
1 1 1 22  10  19 o 72.70302 34.07220 -0.1661939     3.897871  -3.498204      3.831917  16.07349       57.94750 
1 1 1 22  10  20 o 293.0875 24.95736 18.19305       4.449830  22.75542       4.540198  -36.80270      53.45760 
1 1 1 22  10  21 o 149.2367 41.05745 5.366426       3.916197  7.138014       3.922987  -17.42445      70.90990 
1 1 1 22  10  22 o 69.54201 32.79787 -2.457393      3.742769  -1.133158      3.623616  -4.561234      55.22720 
1 1 1 22  10  23 o 87.59117 37.55026 0.2203611      3.676738  1.822690       3.620451  -9.379959      60.73792 
1 1 1 22  10  24 o 73.38080 33.75554 1.824785       3.508339  -3.250320      3.554294  25.09509       56.16710 
1 1 1 22  10  25 o 108.8993 39.41003 1.982498       3.436667  4.883801       3.407216  -23.81976      62.97799 
1 1 1 22  10  26 o 82.63396 35.92441 1.329902       3.486269  0.6263041      3.380698  4.837547       57.74018 
1 1 1 22  11  0  o 91.67490 40.04423 0.5566660E-01  4.416929  1.381562       4.206457  -5.540398      65.04295 
1 1 1 22  11  1  o 136.0038 45.54964 2.430005       4.440192  8.467297       4.610985  -47.78309      73.42258 
1 1 1 22  11  2  o 133.4609 46.29589 4.441214       4.719344  5.583550       4.640444  -8.493805      75.19824 
1 1 1 22  11  3  o 134.1158 45.51838 6.103477       4.421836  3.749161       4.618122  18.27660       74.17210 
1 1 1 22  11  4  o 102.0772 42.41689 0.2690210      4.293723  3.480994       4.569030  -21.40250      68.81342 
1 1 1 22  11  5  o 118.6925 44.54613 1.627846       4.353209  5.474511       4.531444  -28.60806      71.89555 
1 1 1 22  11  6  o 121.6794 44.41367 4.738099       4.288064  2.608496       4.432922  15.50307       71.95665 
1 1 1 22  11  7  o 259.0927 32.04855 18.12667       5.031174  14.55890       5.051192  33.72620       69.12885 
1 1 1 22  11  8  o 179.7425 52.28850 8.812779       6.267654  9.594358       6.094534  -6.299866      88.88988 
1 1 1 22  11  9  o 176.3064 55.11063 0.000000       0.000000  8.997623       4.730523  ?              ?        
1 1 1 22  11  10 o 120.4661 48.97646 9.480989       5.804802  -3.505785      5.666929  74.97710       77.94418 
1 1 1 22  11  11 o 169.7183 50.99965 6.574839       5.432084  10.01725       6.256797  -25.64014      86.31608 
1 1 1 22  11  12 o 119.5233 45.98378 4.054739       5.463091  2.681934       4.336539  15.10402       75.28362 
1 1 1 22  11  13 o 107.6622 42.38399 6.395854       4.248925  -1.446457      4.067870  58.02313       67.88353 
1 1 1 22  11  14 o 130.6671 46.59922 2.091861       5.612095  5.667838       4.212368  -19.72846      75.28321 
1 1 1 22  11  15 o 158.0674 42.09306 5.981723       4.278901  7.218410       4.126506  -12.47545      73.65963 
1 1 1 22  11  16 o 203.6468 34.28986 11.27204       4.263419  9.429913       4.097478  18.58469       69.69194 
1 1 1 22  11  17 o 166.8952 52.93150 8.190720       4.348740  0.000000       0.000000  ?              ?        
1 1 1 22  11  18 o 196.7051 36.38540 12.54489       4.395697  7.536171       4.166073  51.18854       71.10753 
1 1 1 22  11  19 o 92.77921 39.09855 1.741572       3.811041  0.5690581      3.870187  7.014305       63.59927 
1 1 1 22  11  20 o 79.58555 35.93685 -4.964836      3.734669  4.326360       3.810957  -52.56492      60.23178 
1 1 1 22  11  21 o 86.00748 37.82404 2.495783       3.920930  -1.544250      3.883429  22.98414       61.85840 
1 1 1 22  11  22 o 77.64056 35.31037 0.2232032      3.730988  -1.029890      3.711770  6.540237       58.20387 
1 1 1 22  11  23 o 153.3770 40.93014 9.032720       4.067936  4.803419       3.872327  40.14758       70.60615 
1 1 1 22  11  24 o 91.87505 39.98725 4.845674       5.206129  -0.4800329     3.696697  34.96255       66.47532 
1 1 1 22  11  25 f 153.3163 38.85973 10.52947       3.704108  3.345318       3.695838  71.80769       65.17837 
1 1 1 22  11  26 o 86.54340 36.70726 2.916200       3.410109  0.1683604E-01  3.432197  17.99759       58.60609 
1 1 1 22  12  0  o 151.6620 61.74776 0.000000       0.000000  8.449480       6.456467  ?              ?        
1 1 1 22  12  1  o 122.2516 44.88458 6.606449       4.626422  1.920882       4.313221  34.72937       72.15517 
1 1 1 22  12  2  f 111.9465 43.64815 5.987153       4.543835  0.5750593      4.217373  38.19829       70.09547 
1 1 1 22  12  3  o 202.9368 38.34925 7.623136       4.642883  14.02583       4.658707  -64.14531      73.81220 
1 1 1 22  12  4  o 93.09624 40.53827 5.873703       4.576021  -3.779459      4.216700  58.19247       66.92553 
1 1 1 22  12  5  o 206.8337 37.41528 10.62795       4.776550  11.50510       4.484889  -12.08275      75.18874 
1 1 1 22  12  6  o 95.69393 40.47808 -1.818109      4.103870  4.241446       4.179536  -38.24587      65.91053 
1 1 1 22  12  7  o 90.41025 39.61432 1.945510       4.230597  -1.361795      4.258860  18.18025       65.16405 
1 1 1 22  12  8  o 161.1113 52.94431 7.671647       6.112677  7.459113       6.124203  1.466934       86.89429 
1 1 1 22  12  9  o 96.00819 43.86651 -2.557763      5.647103  0.8270316      6.029185  -16.59389      72.91881 
1 1 1 22  12  10 o 96.46198 41.03065 1.697389       4.217542  0.1287567      4.377455  8.040398       67.12653 
1 1 1 22  12  11 o 166.8094 52.47596 11.67999       6.089451  4.271282       6.022899  53.48584       85.72862 
1 1 1 22  12  12 o 126.6620 49.84010 3.573058       5.466928  3.836983       6.067237  -4.175964      80.38412 
1 1 1 22  12  13 o 110.0025 42.44281 2.678380       3.940488  2.489343       4.281775  -0.8357086     69.01344 
1 1 1 22  12  14 o 322.3900 24.24658 27.07533       4.866143  21.41356       4.762385  41.07523       51.00717 
1 1 1 22  12  15 o 198.0067 34.91631 8.035637       3.985770  11.87179       4.295627  -39.21718      69.58212 
1 1 1 22  12  16 o 173.6245 38.71194 9.767368       4.080472  5.940424       4.045791  40.39920       71.02526 
1 1 1 22  12  17 o 126.8482 42.14824 2.795484       3.789489  5.868301       3.964869  -27.80042      69.22147 
1 1 1 22  12  18 o 155.0560 41.37475 10.73980       4.053013  2.370739       4.053729  80.57274       67.65587 
1 1 1 22  12  19 o 65.96234 31.62629 0.1719372      3.688876  -5.894290      3.749794  24.54203       54.93770 
1 1 1 22  12  20 o 107.3696 40.84631 3.197237       3.709473  2.491084       3.816910  4.869934       65.84476 
1 1 1 22  12  21 o 197.2004 34.26354 10.87098       4.078048  9.528708       4.001731  13.84616       69.95781 
1 1 1 22  12  22 o 82.74526 36.63743 -1.751161      3.678105  2.614807       3.764414  -25.08465      59.93860 
1 1 1 22  12  23 o 114.1044 40.61551 2.462381       3.504978  5.104565       3.742145  -22.27701      65.59853 
1 1 1 22  12  24 o 85.99227 36.99509 -2.469993      3.405763  5.527030       3.748250  -52.51009      60.29486 
1 1 1 22  12  25 o 84.91734 37.05824 -0.4402695     3.628423  2.596114       3.737990  -17.68916      59.60120 
1 1 1 22  12  26 o 79.83782 35.67144 -1.230712      3.703861  2.168410       3.521130  -16.40071      57.40044 
1 1 1 22  13  1  o 74.40035 35.16573 -1.229468      4.284976  -2.989986      4.265558  7.254997       59.24817 
1 1 1 22  13  2  o 91.43692 39.98775 0.7910204      4.385201  0.5702193      4.232547  2.337959       65.10423 
1 1 1 22  13  3  o 143.3042 45.65726 7.408714       4.773630  4.775490       4.392985  21.11308       75.57425 
1 1 1 22  13  4  o 236.5135 35.07922 14.41086       5.046532  14.09909       4.937028  1.631012       74.67936 
1 1 1 22  13  5  o 122.6509 44.68178 5.289170       4.448092  2.685665       4.369734  19.64161       72.19162 
1 1 1 22  13  6  o 199.2767 38.55966 9.633415       4.629297  11.21798       4.559943  -16.93474      75.65936 
1 1 1 22  13  7  f 107.6025 42.79033 1.948693       4.362853  2.931530       4.192539  -5.594391      69.08746 
1 1 1 22  13  8  o 209.9252 35.46154 13.19462       4.597102  9.354621       4.322599  37.58482       71.97526 
1 1 1 22  13  9  o 107.5698 44.84659 7.052389       5.785491  -1.043991      4.423965  55.06925       74.74110 
1 1 1 22  13  10 o 106.5912 46.61087 0.2985706      5.754263  1.799180       5.951719  -8.094910      75.75386 
1 1 1 22  13  11 o 105.7188 42.28037 2.194975       4.135993  2.159342       4.261667  -0.6144409     68.58650 
1 1 1 22  13  12 o 128.7809 49.74877 6.237508       5.856413  2.304724       5.443607  25.25714       80.09381 
1 1 1 22  13  13 o 281.5729 39.13812 15.91798       6.635372  24.65286       6.667807  -73.28754      83.92920 
1 1 1 22  13  14 o 345.7921 23.20642 30.53591       4.993595  25.11424       4.905588  36.53613       48.51018 
1 1 1 22  13  15 o 263.4930 39.88612 17.98948       4.465866  0.000000       0.000000  ?              ?        
1 1 1 22  13  16 o 250.7121 29.28907 19.41974       4.555396  11.36958       4.388037  75.95697       63.75623 
1 1 1 22  13  17 o 166.1163 39.77428 8.502729       4.129640  6.377775       3.963901  21.24939       72.12268 
1 1 1 22  13  18 o 101.5831 40.52446 5.947321       3.908234  -1.387389      3.787184  53.52354       64.71539 
1 1 1 22  13  19 o 107.8266 40.83632 3.873880       3.756300  1.885880       3.743692  15.36933       65.82705 
1 1 1 22  13  20 o 76.00206 34.95540 -2.657579      3.747450  0.9874250      3.822348  -18.66693      58.35847 
1 1 1 22  13  21 o 72.19236 33.76261 -3.464569      3.828716  0.5747798      3.698004  -16.93149      56.55813 
1 1 1 22  13  22 o 88.60088 37.98621 1.827950       3.854958  0.5789791      3.623819  9.027283       61.34097 
1 1 1 22  13  23 o 92.36070 38.83674 3.054859       3.763929  0.1818011      3.787848  17.61069       62.24627 
1 1 1 22  13  24 o 88.13421 37.43347 -0.3397148E-01 3.548078  3.023622       3.584473  -18.97303      59.90386 
1 1 1 22  13  25 f 95.21686 42.32882 1.694263       3.546807  0.000000       0.000000  ?              ?        
1 1 1 22  13  26 o 102.1502 40.25433 5.999890       3.733628  0.2471131      3.769948  38.43620       62.98031 
1 1 1 22  14  2  o 104.9227 42.51106 7.219089       4.624263  -1.215354      4.041114  58.02605       68.66183 
1 1 1 22  14  3  o 99.14971 41.59552 2.906939       4.442351  0.6009299      4.199514  15.22609       67.23071 
1 1 1 22  14  4  o 84.38235 38.20039 -1.135206      4.319260  0.4095760      4.270527  -7.039383      62.91088 
1 1 1 22  14  5  o 103.4868 42.07725 -1.422633      4.209811  5.794001       4.257040  -47.49084      67.40201 
1 1 1 22  14  6  o 109.3174 43.12906 1.573671       4.458321  3.667523       4.177616  -12.54043      69.36262 
1 1 1 22  14  7  o 81.08551 37.10181 -2.449776      4.167450  0.7375057      4.211875  -15.72604      61.85021 
1 1 1 22  14  8  o 91.91811 39.76955 -0.3049134     4.168355  1.801062       4.162380  -12.01099      64.91355 
1 1 1 22  14  9  o 149.0442 43.35173 3.315231       4.326136  8.778144       4.173622  -49.96627      71.80764 
1 1 1 22  14  10 o 82.44115 37.37660 0.2881344      4.161244  -1.574385      4.098890  10.00867       62.18759 
1 1 1 22  14  11 o 127.9071 52.43595 3.886433       6.361738  3.980086       6.959460  -2.388168      83.46251 
1 1 1 22  14  12 o 144.4930 48.38483 5.412811       4.368876  7.045156       6.403475  -12.50108      80.85270 
1 1 1 22  14  13 o 212.2838 50.37112 13.53649       6.970659  12.57546       6.168071  1.407867       92.25924 
1 1 1 22  14  14 o 258.4882 42.22432 19.78297       6.996953  16.27012       6.157187  19.28114       88.80588 
1 1 1 22  14  15 o 189.8810 38.19899 9.810896       4.466069  9.126022       4.230171  5.160446       74.04630 
1 1 1 22  14  16 o 176.1285 45.66737 9.805587       4.324683  6.736937       6.254715  33.16322       79.61163 
1 1 1 22  14  17 o 121.3658 43.07661 5.869364       4.217390  2.332013       3.931275  29.07678       69.83764 
1 1 1 22  14  18 o 67.65171 32.45840 -1.429025      4.066823  -4.148430      3.810085  13.49385       55.86425 
1 1 1 22  14  19 o 89.79678 39.11568 2.071886       4.177485  -0.3756121     4.000462  14.92381       63.64366 
1 1 1 22  14  20 o 107.1240 41.79322 4.537369       4.052320  1.421954       3.968569  21.94328       66.79175 
1 1 1 22  14  21 o 127.9871 42.77377 5.745102       4.088062  4.156316       3.896715  12.97066       69.73025 
1 1 1 22  14  22 o 131.7381 42.82958 8.088888       4.085459  2.628551       3.936677  45.85960       69.15081 
1 1 1 22  14  23 o 201.1576 33.78409 11.19753       4.026168  10.59164       4.107780  8.077530       70.38553 
1 1 1 22  14  24 o 88.62894 38.13264 3.596216       3.850898  -0.4839992     3.727947  23.81795       60.96275 
1 1 1 22  14  25 o 109.7545 40.90749 2.683769       3.786192  4.784497       3.677748  -15.28487      64.65234 
1 1 1 22  14  26 o 81.13217 36.16884 2.942927       3.745444  -1.178331      3.634474  21.67190       58.08521 
1 1 1 22  15  3  o 82.39838 37.86139 -2.708253      4.536825  0.9424015      4.321393  -14.39886      62.55468 
1 1 1 22  15  4  o 81.21668 37.49733 -3.694003      4.490282  1.415358       4.342299  -21.26841      62.39075 
1 1 1 22  15  5  o 70.16212 33.71223 -3.542646      4.303692  -2.654667      4.251209  -2.711578      57.49272 
1 1 1 22  15  6  o 104.8293 43.05948 6.254902       4.689314  -1.166763      4.312693  48.05219       69.48338 
1 1 1 22  15  7  o 151.4773 45.11548 4.870246       4.521862  8.257562       4.588740  -29.27698      75.66685 
1 1 1 22  15  8  o 107.6449 42.95916 1.948119       4.374873  3.174758       4.274836  -7.507576      69.09432 
1 1 1 22  15  9  o 88.86918 39.25089 1.759447       4.331870  -1.011073      4.162340  16.15238       64.40427 
1 1 1 22  15  10 o 141.7101 43.88892 5.143092       4.288993  6.165657       4.219163  -9.041687      73.28390 
1 1 1 22  15  11 o 82.28309 39.44239 0.000000       0.000000  -3.574443      4.084919  ?              ?        
1 1 1 22  15  12 o 105.2441 46.16854 0.7677174      5.565658  1.783781       6.022830  -7.028603      74.58128 
1 1 1 22  15  13 o 68.20168 33.89597 -5.377212      5.373250  -10.29224      5.781313  7.864250       59.48740 
1 1 1 22  15  14 o 105.8848 46.47551 -3.178782      5.887231  5.751801       5.843484  -39.48035      75.12846 
1 1 1 22  15  15 o 107.1027 46.74528 2.719552       5.827025  0.4355303      5.893419  9.775620       75.03824 
1 1 1 22  15  16 o 105.5049 44.45494 0.9175298E-01  4.026822  8.310611       7.158703  -54.35023      77.33260 
1 1 1 22  15  17 o 97.92915 40.34485 0.5882472      3.975991  3.056211       3.936910  -15.70833      64.97738 
1 1 1 22  15  18 o 103.5836 41.91333 1.296577       4.251804  3.475525       4.105850  -13.19603      67.06204 
1 1 1 22  15  19 o 201.9081 35.52904 12.23387       4.321166  9.555681       4.254631  27.68353       72.21108 
1 1 1 22  15  20 o 100.1314 41.02407 6.071383       4.188534  -1.045837      3.945331  46.61763       65.60114 
1 1 1 22  15  21 o 109.4098 41.90625 3.277503       4.003881  3.368578       3.951068  -0.5022964     66.82412 
1 1 1 22  15  22 o 91.57405 39.23900 3.851675       4.069008  -0.7375650     3.897125  27.29813       63.12366 
1 1 1 22  15  23 o 78.06499 35.82036 -1.947817      4.009887  1.399439       3.877658  -14.16788      58.31634 
1 1 1 22  15  24 o 115.3854 42.60588 5.071955       4.128253  3.640238       3.937747  9.913605       67.37568 
1 1 1 22  15  25 o 92.95992 39.66125 4.090896       4.145554  0.3353484      3.932420  21.01686       62.64694 
1 1 1 22  15  26 o 109.9846 50.20844 0.000000       0.000000  4.815613       5.384122  ?              ?        
1 1 1 22  16  4  o 84.47919 38.78249 -1.727767      4.697093  0.3092945      4.563313  -7.730659      63.80889 
1 1 1 22  16  5  o 114.7239 44.94473 1.299232       4.682873  5.466690       4.624128  -26.27824      71.55433 
1 1 1 22  16  6  f 90.01936 40.19890 0.7084484      4.648442  -0.1583005     4.508342  5.194572       65.55647 
1 1 1 22  16  7  o 81.16328 37.70444 -2.052867      4.577727  -0.4853038     4.556933  -6.355797      62.59235 
1 1 1 22  16  8  o 115.2814 44.93935 10.78122       4.882557  -2.752900      4.418513  93.56263       69.84232 
1 1 1 22  16  9  o 91.33684 40.49721 0.1466883      4.694289  0.5271281      4.438655  0.4303741E-01  66.12357 
1 1 1 22  16  10 o 104.8449 43.47438 2.418221       4.663805  1.950767       4.605619  3.022301       69.81408 
1 1 1 22  16  11 o 151.0905 45.77034 5.621236       4.687222  7.758255       4.630880  -18.04056      76.49691 
1 1 1 22  16  12 f 112.5442 44.04706 1.756682       4.497967  4.530103       4.433717  -17.94268      70.44341 
1 1 1 22  16  13 o 99.66679 44.90625 2.264819       5.815745  -1.344899      5.891310  13.94700       72.60744 
1 1 1 22  16  14 o 131.6126 51.61049 6.063338       6.135283  4.246622       6.146278  9.541885       81.34119 
1 1 1 22  16  15 o 109.3666 48.55874 0.1272752      7.108490  2.968215       6.154956  -6.841835      77.14751 
1 1 1 22  16  16 o 143.9102 62.59377 7.746774       7.375380  0.000000       0.000000  ?              ?        
1 1 1 22  16  17 o 75.75972 35.63633 -2.850170      4.395933  -0.6591851     4.201823  -7.081017      59.47194 
1 1 1 22  16  18 o 91.86649 40.26624 0.8753458      4.399690  1.096973       4.378163  -0.9951630     64.87608 
1 1 1 22  16  19 o 151.0094 45.89739 9.025781       4.852638  5.499257       4.523439  27.03645       76.29787 
1 1 1 22  16  20 o 95.30447 41.35268 1.989444       4.522846  0.9884394      4.536637  4.995384       66.08827 
1 1 1 22  16  21 o 72.40699 34.40439 0.3894479      4.329452  -4.026144      4.076427  19.10993       57.96818 
1 1 1 22  16  22 o 81.62247 37.18563 -1.130774      4.230774  1.206006       4.072990  -9.438797      60.14781 
1 1 1 22  16  23 o 85.40409 38.32943 -1.404620      4.302445  2.862465       4.137507  -18.72761      61.26712 
1 1 1 22  16  24 o 164.3832 43.20832 10.14865       4.621190  7.589029       4.320121  18.93506       75.34357 
1 1 1 22  16  25 o 67.45854 32.58595 0.1703679      4.306497  -4.268836      3.963266  17.05951       54.57495 
1 1 1 22  17  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  17  6  o 134.4525 47.31276 4.868335       4.942404  6.104852       4.853866  -8.670792      76.02847 
1 1 1 22  17  7  o 160.6523 46.05529 6.059688       4.845502  9.340854       4.807907  -27.82468      77.88995 
1 1 1 22  17  8  o 98.37305 42.05199 -1.391338      4.522410  4.650274       4.581350  -33.36460      67.71824 
1 1 1 22  17  9  o 97.66281 42.17867 4.254941       4.777204  -1.252951      4.566891  30.21151       68.23768 
1 1 1 22  17  10 o 148.7688 47.11346 1.881182       4.829991  11.57195       4.919095  -75.46341      74.57345 
1 1 1 22  17  11 o 129.6395 46.49489 2.257586       4.746645  7.470417       4.753444  -36.98864      74.23550 
1 1 1 22  17  12 f 103.4076 42.89310 3.923315       4.557492  0.4788552      4.470755  20.67223       68.82743 
1 1 1 22  17  13 o 70.39306 33.85350 -2.913641      4.381993  -3.233013      4.290306  2.033195       57.57323 
1 1 1 22  17  14 o 112.3570 48.73868 2.452473       6.192736  2.853326       6.389634  -2.303688      76.96875 
1 1 1 22  17  15 o 125.5291 56.22361 0.000000       0.000000  4.215020       6.381404  ?              ?        
1 1 1 22  17  16 o 102.0484 45.03006 2.320362       4.782867  -0.2292708E-01 6.958381  -0.2276077     72.08908 
1 1 1 22  17  17 o 116.4159 50.78539 7.676131       7.644425  0.4812561      6.352438  29.35580       80.41315 
1 1 1 22  17  18 o 92.02959 42.10348 -3.311211      7.580443  1.256628       4.412046  1.620979       68.54635 
1 1 1 22  17  19 o 89.39963 39.90091 -0.5421590     4.577035  1.743736       4.432200  -9.827110      64.32220 
1 1 1 22  17  20 o 95.53468 41.12018 3.984044       4.573924  -0.2440494     4.259029  23.74265       65.88432 
1 1 1 22  17  21 o 105.5772 43.34575 5.656989       4.606268  0.8183150      4.488536  27.20803       68.11806 
1 1 1 22  17  22 o 101.5844 42.26577 3.959599       4.427478  1.907154       4.375926  11.20365       66.14964 
1 1 1 22  17  23 o 130.2290 45.20513 6.702121       4.375401  5.131497       4.553619  11.57014       71.52329 
1 1 1 22  17  24 o 107.8275 42.85674 4.006428       4.367034  3.855852       4.209713  0.8664169      66.47221 
1 1 1 22  17  25 o 73.18582 36.09455 0.000000       0.000000  -3.880390      4.158188  ?              ?        
1 1 1 22  18  7  o 173.6459 45.19692 8.631834       4.839190  9.436647       4.994266  -5.857574      79.63408 
1 1 1 22  18  8  o 119.8717 46.06951 4.286128       4.758560  3.914777       4.879380  2.095131       73.20618 
1 1 1 22  18  9  o 102.4866 43.06224 2.274793       4.564563  1.995221       4.712392  0.8229828      68.78379 
1 1 1 22  18  10 o 150.2753 47.07864 11.08292       4.851906  2.910854       4.907042  63.15139       75.23663 
1 1 1 22  18  11 o 77.77647 36.54255 -0.4234788     4.451419  -2.825409      4.537653  8.693123       60.75742 
1 1 1 22  18  12 o 77.04598 36.40326 -2.560457      4.432782  -1.227213      4.729320  -7.532135      60.84462 
1 1 1 22  18  13 o 137.3920 46.19646 8.563486       4.621452  2.874133       4.683476  42.96627       73.95814 
1 1 1 22  18  14 o 117.8083 45.44801 3.882717       4.746202  3.932613       4.657586  -0.1195374     72.27183 
1 1 1 22  18  15 o 100.6367 46.71112 0.000000       0.000000  0.9150666E-02  4.940640  ?              ?        
1 1 1 22  18  16 o 110.0587 51.23388 1.144604       6.011470  0.000000       0.000000  ?              ?        
1 1 1 22  18  17 o 167.7849 51.30225 11.48776       5.267545  6.348855       6.636279  41.08304       82.54569 
1 1 1 22  18  18 o 102.2386 47.50872 3.251644       7.343934  -1.619750      7.177863  14.22699       75.10114 
1 1 1 22  18  19 o 107.9871 48.92435 4.027911       7.262496  1.362051       6.875126  8.978569       75.86253 
1 1 1 22  18  20 o 110.9229 44.75362 6.013471       4.825685  1.867572       4.671820  23.02023       69.89011 
1 1 1 22  18  21 o 69.62164 33.68480 -9.054522      4.346081  4.366701       4.564393  -47.40856      59.14196 
1 1 1 22  18  22 o 97.50494 41.61766 6.040785       4.480540  -0.9418797     4.412108  35.89056       65.49696 
1 1 1 22  18  23 f 71.82626 34.15597 0.4301228      4.150279  -3.068193      4.156729  12.40648       56.02076 
1 1 1 22  18  24 o 65.95649 32.01760 -4.546915      4.021861  -0.1683209     4.200940  -15.00056      53.50759 
1 1 1 22  19  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  19  9  o 115.8515 45.20642 3.260790       4.588951  4.497284       4.802687  -8.045097      71.64907 
1 1 1 22  19  10 o 154.4436 46.42018 5.433074       4.660421  9.759064       4.965074  -33.37411      77.22353 
1 1 1 22  19  11 o 85.65442 39.15916 1.461433       4.591137  -2.033771      4.719473  14.02681       63.85696 
1 1 1 22  19  12 o 144.4483 46.51643 9.115541       4.724590  4.104523       4.747007  38.32822       75.22015 
1 1 1 22  19  13 o 90.12128 40.28232 3.496238       4.546920  -2.277189      4.670070  25.95164       65.02383 
1 1 1 22  19  14 o 103.8798 43.58467 3.730554       4.859463  1.605217       4.627564  12.00925       68.98621 
1 1 1 22  19  15 o 107.6098 48.30917 0.000000       0.000000  2.445562       4.741148  ?              ?        
1 1 1 22  19  16 o 117.8120 46.05584 4.491822       4.801167  4.281452       4.957493  1.122429       72.17899 
1 1 1 22  19  17 o 156.6707 56.94056 13.53938       6.892226  6.288737       7.446407  36.55510       86.51292 
1 1 1 22  19  18 o 158.8229 55.87078 10.05093       6.474402  10.75095       7.249392  0.7219849      86.13294 
1 1 1 22  19  19 o 85.10193 40.13644 4.651810       4.778363  -11.39787      6.743472  35.67822       64.47963 
1 1 1 22  19  20 o 119.4298 50.21717 7.798823       6.577901  3.343059       6.076962  17.45295       76.49050 
1 1 1 22  19  21 o 75.25044 35.55994 -1.431377      4.442680  -0.7358112     4.295598  -1.532990      57.89154 
1 1 1 22  19  22 o 91.07317 39.88613 1.031888       4.291059  2.807166       4.306248  -8.397202      62.46339 
1 1 1 22  19  23 o 68.59180 33.01775 -0.1856934     4.230478  -3.405796      4.066912  11.62604       54.46799 
1 1 1 22  20  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  20  11 o 82.51793 37.94690 -1.987931      4.250876  1.619756       4.697790  -18.41016      62.34829 
1 1 1 22  20  12 o 81.06113 37.58723 1.400079       4.425058  -2.881238      4.593508  16.11552       61.51046 
1 1 1 22  20  13 o 78.29872 36.57041 -1.525204      4.282469  -0.4411041     4.505203  -5.957993      60.11555 
1 1 1 22  20  14 o 81.55486 37.64574 -2.716480      4.259580  2.286845       4.659600  -23.70703      62.05056 
1 1 1 22  20  15 o 97.09233 47.44955 -2.862346      6.685257  0.000000       0.000000  ?              ?        
1 1 1 22  20  16 o 88.69503 40.00344 0.7455983      4.588898  0.6792748      4.731230  -0.4552841     63.96424 
1 1 1 22  20  17 o 83.26826 38.24666 2.200536       4.611188  -1.987567      4.414895  18.40316       62.02857 
1 1 1 22  20  18 o 81.05716 37.85582 0.5734256      4.732046  -1.601754      4.672732  8.299049       61.25570 
1 1 1 22  20  19 o 106.5969 47.83300 8.342540       6.461550  -1.884221      6.674304  32.94843       73.72945 
1 1 1 22  20  20 o 73.20468 35.79805 -5.394377      4.719724  0.6701745      6.518263  -24.02660      60.81576 
1 1 1 22  20  21 o 108.1457 50.32475 4.060493       8.147353  4.947520       8.234455  -1.942169      74.72929 
1 1 1 22  20  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  21  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  21  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 22  21  15 o 102.6094 44.64749 -0.6623782E-01 6.064878  4.458950       4.782850  -15.22823      69.20678 
1 1 1 22  21  16 o 117.8141 50.20827 8.257919       5.429889  -2.285800      8.418131  33.10035       74.99970 
1 1 1 22  21  17 o 109.4209 48.32247 2.695244       5.171281  8.268038       9.553622  -17.18559      75.92549 
1 1 1 22  21  18 o 79.12569 37.99066 -3.568269      5.263273  0.4912319      5.566715  -12.80792      61.71457 
1 1 1 22  21  19 o 88.20371 43.73928 0.000000       0.000000  -3.710953      6.413500  ?              ?        
1 1 1 23  -10 6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  -9  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  -9  3  o 130.7926 45.54096 8.534497       4.539463  4.278285       4.520845  28.24316       71.20944 
1 1 1 23  -9  4  f 87.34744 38.96863 0.2491648      4.202721  2.593890       4.383377  -11.19225      61.50186 
1 1 1 23  -9  5  o 97.90009 41.43418 -0.6329228     4.313073  6.180209       4.373771  -35.72639      64.90288 
1 1 1 23  -9  6  o 147.2356 45.53313 9.581875       4.542010  5.537104       4.619530  31.17930       73.77900 
1 1 1 23  -9  7  o 77.02886 36.21429 -2.956420      4.306117  1.631650       4.556078  -18.44951      59.25471 
1 1 1 23  -9  8  f 79.30949 36.72321 -3.891275      4.196226  3.809300       4.367734  -32.95901      60.33879 
1 1 1 23  -9  9  o 133.2102 45.81331 4.860113       4.415895  7.873973       4.760617  -19.43986      72.83419 
1 1 1 23  -9  10 o 112.9272 43.75322 4.117478       4.307104  4.293239       4.437909  -1.070038      68.37842 
1 1 1 23  -9  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  -8  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  -8  1  o 75.91232 35.55772 1.125525       4.120915  -2.119279      4.282849  11.22576       57.34254 
1 1 1 23  -8  2  o 85.82037 38.86718 2.415904       4.394133  -0.5247490     4.510836  11.70198       61.47712 
1 1 1 23  -8  3  o 96.60639 41.14884 1.348994       4.219493  3.711093       4.450640  -12.71447      64.51112 
1 1 1 23  -8  4  o 101.4849 42.20127 1.243497       4.310349  4.813125       4.462854  -19.66302      66.09276 
1 1 1 23  -8  5  o 201.5207 41.18778 11.54752       4.821516  13.30655       5.143600  -10.65689      80.35893 
1 1 1 23  -8  6  o 92.59550 40.44450 2.790309       4.397036  0.5894904      4.390878  10.70286       63.97227 
1 1 1 23  -8  7  o 146.1655 46.27391 3.788634       4.536484  11.35024       4.887321  -54.89407      74.39442 
1 1 1 23  -8  8  o 81.71154 37.24573 1.582943       4.186159  -1.309185      4.154036  13.09926       60.26771 
1 1 1 23  -8  9  o 108.7932 43.40525 3.465449       4.348977  3.647396       4.479974  -1.282173      68.13478 
1 1 1 23  -8  10 o 85.48385 38.34448 1.119011       4.085115  0.8471226E-01  4.357226  3.223030       61.52761 
1 1 1 23  -8  11 o 98.08709 41.17027 3.459919       4.261125  1.278908       4.202061  12.34838       65.05040 
1 1 1 23  -8  12 o 92.97311 41.92720 -2.069545      6.166172  2.860167       4.466097  -11.08561      66.14392 
1 1 1 23  -8  13 o 117.2269 46.44680 6.394014       4.297463  0.6351653      6.295135  26.69321       71.09649 
1 1 1 23  -7  0  o 54.79919 27.61150 -8.188355      4.189575  -5.835227      4.492095  -7.451233      48.27423 
1 1 1 23  -7  1  o 95.39606 41.07367 3.641412       4.290697  0.8178369      4.519832  13.16487       64.20773 
1 1 1 23  -7  2  o 73.07812 34.68693 -3.399119      4.083217  0.8804814      4.426453  -18.07411      57.55565 
1 1 1 23  -7  3  o 74.92735 35.26075 0.3371826      4.102380  -2.602593      4.335159  9.516563       57.69591 
1 1 1 23  -7  4  f 123.3189 44.92921 8.985181       4.489897  1.429203       4.425783  50.86396       70.02554 
1 1 1 23  -7  5  o 81.27323 37.37510 3.874366       4.358996  -3.975810      4.290867  34.25424       61.35215 
1 1 1 23  -7  6  o 82.52560 37.69123 -2.137212      4.205234  2.468026       4.396367  -21.46111      61.36731 
1 1 1 23  -7  7  o 110.4156 43.48725 0.8164356      4.318543  6.637871       4.436448  -36.46645      68.40459 
1 1 1 23  -7  8  o 83.67914 37.95135 -0.8968581E-01 4.273687  0.5178686      4.250987  -2.594360      61.30453 
1 1 1 23  -7  9  o 89.96843 39.60505 1.462829       4.240005  0.8164651      4.337540  2.665588       63.28740 
1 1 1 23  -7  10 o 74.76088 34.98103 -3.044449      3.982986  1.010121       4.112746  -17.99063      58.03005 
1 1 1 23  -7  11 o 81.06257 37.43975 -5.356856      4.436610  4.338526       4.377330  -41.14953      62.01057 
1 1 1 23  -7  12 o 108.0360 47.33152 0.000000       0.000000  2.884706       4.283586  ?              ?        
1 1 1 23  -7  13 o 81.89162 38.19364 1.451498       4.090628  -5.465961      5.923143  11.72446       61.97074 
1 1 1 23  -7  14 o 91.06323 39.20426 0.9792084      4.050632  2.007342       3.967776  -5.203789      62.52641 
1 1 1 23  -7  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  -6  0  o 85.77930 38.73042 0.9342207      4.191006  0.6940364      4.598120  -0.9312744     61.61577 
1 1 1 23  -6  1  o 72.32792 34.53514 -0.6828606     4.279929  -3.029266      4.394892  7.260551       57.01955 
1 1 1 23  -6  2  o 97.00745 41.66671 1.882911       4.482335  2.586938       4.534244  -3.669411      65.51321 
1 1 1 23  -6  3  o 79.85330 36.72583 0.9568911      4.056864  -1.562024      4.308598  9.087914       59.58159 
1 1 1 23  -6  4  f 148.7808 54.28739 0.000000       0.000000  8.552916       4.604172  ?              ?        
1 1 1 23  -6  5  o 94.10500 40.35995 3.336500       4.230172  -0.8232673E-01 4.205917  18.79040       64.52771 
1 1 1 23  -6  6  o 80.89916 37.10083 -1.372742      4.143909  0.6213599      4.303114  -10.11584      60.81057 
1 1 1 23  -6  7  o 79.51326 36.70509 -1.487633      4.155853  0.1326686      4.302909  -8.231323      60.39879 
1 1 1 23  -6  8  o 111.3254 43.24004 4.019267       4.248903  2.822988       4.306096  7.743042       68.74678 
1 1 1 23  -6  9  o 92.94560 39.94940 -0.9966108     4.063098  3.955333       4.241603  -28.92032      64.47111 
1 1 1 23  -6  10 o 73.43308 34.65523 0.6252763      4.081123  -4.182809      4.165377  18.72998       58.13724 
1 1 1 23  -6  11 o 116.2299 43.53332 1.760627       4.164253  6.301977       4.310602  -32.10650      69.19505 
1 1 1 23  -6  12 o 91.32738 40.75771 -2.633060      5.679534  2.638642       4.094649  -13.20100      65.06485 
1 1 1 23  -6  13 o 74.91137 35.14633 -4.142542      4.249212  1.231257       4.023170  -20.09683      58.39577 
1 1 1 23  -6  14 o 74.38887 34.60919 3.993621       3.910041  -5.806234      3.832438  46.76892       58.73407 
1 1 1 23  -6  15 o 78.04235 35.79485 -1.243400      3.998335  0.3331411      3.866687  -6.243965      58.62386 
1 1 1 23  -6  16 o 146.7171 45.16515 9.896206       4.586657  4.118147       4.442215  45.84096       73.65077 
1 1 1 23  -5  0  o 73.06679 34.82012 -0.5727527     4.268916  -3.065619      4.465012  7.257065       57.45920 
1 1 1 23  -5  1  o 93.02726 40.26713 3.194816       4.075780  -0.2794769E-01 4.504298  14.42015       63.63407 
1 1 1 23  -5  2  o 83.30000 38.01033 -1.501974      4.132395  2.030516       4.624749  -18.54015      62.01950 
1 1 1 23  -5  3  o 192.8306 41.60492 9.375453       4.647804  12.63017       5.036296  -25.71516      78.94213 
1 1 1 23  -5  4  o 85.58598 38.66589 2.158147       4.328021  -1.946890      4.420183  18.37257       62.88810 
1 1 1 23  -5  5  o 174.7088 42.96603 8.074181       4.444735  10.14395       4.825897  -15.62883      77.44785 
1 1 1 23  -5  6  o 114.5979 43.74235 1.982367       4.325635  5.500305       4.321499  -23.73182      69.45521 
1 1 1 23  -5  7  o 85.31252 38.32313 -0.8696339     4.185338  1.321426       4.269501  -11.24535      62.40784 
1 1 1 23  -5  8  f 103.3481 42.18523 1.345795       4.148324  3.847413       4.413943  -16.44849      67.41106 
1 1 1 23  -5  9  o 109.7702 43.62580 2.969123       4.416720  3.349901       4.465922  -2.540794      69.39655 
1 1 1 23  -5  10 o 122.0540 43.69952 6.363467       4.189598  2.316362       4.198649  30.49339       69.86106 
1 1 1 23  -5  11 o 140.4760 43.77295 7.480602       4.221752  4.264055       4.226294  27.55193       72.20731 
1 1 1 23  -5  12 f 88.52545 41.46857 -1.272737      4.039994  0.000000       0.000000  ?              ?        
1 1 1 23  -5  13 f 188.5776 44.17972 10.80044       5.877343  10.28548       4.534178  -8.970840      81.48431 
1 1 1 23  -5  14 o 93.69312 42.70954 -1.776877      5.238061  2.998601       5.768575  -21.02003      69.19359 
1 1 1 23  -5  15 o 108.0988 46.00233 6.126384       5.481561  -0.2411423     5.329088  30.61037       72.70089 
1 1 1 23  -5  16 o 123.7248 48.32199 6.858307       5.411241  2.914247       5.320168  22.00130       75.73796 
1 1 1 23  -5  17 o 110.6728 46.76943 3.300786       5.468524  3.354511       5.572658  -0.4829025     73.12920 
1 1 1 23  -4  0  o 107.0926 42.80700 6.002553       4.209435  0.4930443      4.397328  32.98431       66.97916 
1 1 1 23  -4  1  o 90.85956 40.04640 -2.086019      4.067432  5.793314       4.821269  -43.39796      65.71220 
1 1 1 23  -4  2  o 66.44939 32.37801 -2.860678      4.250181  -4.647057      4.372054  4.524483       55.22658 
1 1 1 23  -4  3  o 83.98745 38.34233 -0.4958064     4.231409  0.5276895E-01  4.685548  -5.677696      62.68399 
1 1 1 23  -4  4  o 268.0064 30.35467 15.63529       4.724150  21.55720       5.229740  -45.80515      67.52738 
1 1 1 23  -4  5  o 92.01444 39.81283 0.7459179      4.003253  1.728074       4.370413  -7.640160      64.22434 
1 1 1 23  -4  6  o 232.6670 34.57159 15.35695       4.796139  13.12916       4.881424  23.97110       74.37064 
1 1 1 23  -4  7  o 170.3485 43.03849 8.258421       4.338272  8.686143       4.793314  -0.4743347     76.85477 
1 1 1 23  -4  8  o 192.0810 39.43402 11.36675       4.421949  8.875498       4.670513  27.81209       75.67163 
1 1 1 23  -4  9  o 207.4646 50.72950 13.44416       4.577304  0.000000       0.000000  ?              ?        
1 1 1 23  -4  10 o 223.7871 34.59060 9.981076       4.465974  16.80150       4.852368  -63.61588      72.10669 
1 1 1 23  -4  11 o 133.4786 51.56255 5.747040       6.009938  5.570154       6.105764  0.9059448      80.95602 
1 1 1 23  -4  12 o 125.1201 50.09171 7.308646       5.677031  1.476856       6.146780  28.95612       78.29849 
1 1 1 23  -4  13 o 125.3179 48.73783 5.568190       5.392461  3.629844       5.487746  10.92736       77.00170 
1 1 1 23  -4  14 o 193.7646 49.79785 11.22961       5.970028  12.06476       6.066574  -5.676071      87.96534 
1 1 1 23  -4  15 f 101.8847 43.08848 1.436650       4.065369  3.436461       5.737430  -17.55315      70.09273 
1 1 1 23  -4  16 o 160.5167 45.83284 7.930459       4.160774  8.159166       5.829320  7.955765       78.29020 
1 1 1 23  -4  17 o 148.2124 52.73982 8.245228       6.190748  7.203814       6.012317  5.544800       83.14944 
1 1 1 23  -4  18 o 88.36797 41.26611 4.750988       5.856676  -5.279734      5.348320  38.01711       68.53912 
1 1 1 23  -4  19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  -3  0  o 92.62632 41.34632 1.061679       5.404116  1.177598       4.417084  4.086929       66.04610 
1 1 1 23  -3  1  o 150.4117 44.81272 7.342499       4.382874  6.692700       4.612803  6.606232       75.06857 
1 1 1 23  -3  2  o 79.04466 36.45477 -2.057600      3.871509  0.9984925      4.514211  -18.98619      60.80679 
1 1 1 23  -3  3  o 190.8451 40.44510 13.47052       4.566866  6.914547       4.714981  64.64726       74.36906 
1 1 1 23  -3  4  o 131.2852 44.91647 7.986317       4.322977  2.211220       4.480260  44.08621       71.45710 
1 1 1 23  -3  5  f 81.83482 37.34602 -0.2920095     3.970628  -0.7065000     4.494748  -2.405922      61.49142 
1 1 1 23  -3  6  o 166.2943 54.47568 0.000000       0.000000  9.283081       4.581780  ?              ?        
1 1 1 23  -3  7  o 96.43633 40.96012 3.528916       4.131646  -0.9081244     4.422832  23.55745       65.85259 
1 1 1 23  -3  8  o 98.92455 41.51776 3.731306       4.180876  -0.5487541     4.435105  23.61081       66.65212 
1 1 1 23  -3  9  o 94.01623 41.09753 5.789346       4.517034  -4.197788      4.573098  52.78136       66.79176 
1 1 1 23  -3  10 o 275.9738 44.48774 21.40240       7.118476  21.28935       7.621368  9.389481       95.17960 
1 1 1 23  -3  11 o 108.0237 47.62148 4.206161       5.968846  -1.310916      6.506419  19.92029       75.90662 
1 1 1 23  -3  12 o 96.45892 44.20752 -1.216128      5.840153  0.9508499      6.130476  -9.566612      71.81493 
1 1 1 23  -3  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  -3  14 o 95.25722 45.36912 -2.311852      5.223063  0.000000       0.000000  ?              ?        
1 1 1 23  -3  15 o 101.2112 44.47456 -1.370917      5.276054  4.241247       5.500834  -26.71655      71.76183 
1 1 1 23  -3  16 o 110.8261 47.18528 2.366618       5.587207  3.072956       5.798421  -4.036049      74.75281 
1 1 1 23  -3  17 o 116.6770 48.04126 7.216359       5.852694  0.9289623      5.387249  32.49067       75.90096 
1 1 1 23  -3  18 o 132.7255 46.86800 8.880394       5.996869  3.958263       4.128404  30.48578       77.23565 
1 1 1 23  -3  19 o 91.58218 38.70658 -0.3757246     3.772933  3.437296       3.790037  -23.49851      62.15570 
1 1 1 23  -3  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  -2  0  o 87.65929 38.84124 3.689156       4.025552  -2.679597      4.374038  29.60842       62.50353 
1 1 1 23  -2  1  o 107.0149 42.96483 3.002067       4.108801  2.751802       4.643854  -0.4340363     68.46187 
1 1 1 23  -2  2  o 66.13444 32.02309 -3.008885      3.843102  -3.661360      4.278247  -2.155830      54.79152 
1 1 1 23  -2  3  o 68.26582 32.76360 -1.309008      3.749996  -4.662992      4.342305  6.424500       55.60319 
1 1 1 23  -2  4  o 244.5041 31.46217 12.76179       4.366622  18.33834       5.025315  -44.65356      68.58086 
1 1 1 23  -2  5  o 161.8698 43.34369 12.80459       4.379648  1.927742       4.500302  96.85277       68.84123 
1 1 1 23  -2  6  o 362.3890 24.37124 29.67812       5.297409  32.89790       5.609444  -17.71332      51.39885 
1 1 1 23  -2  7  o 238.5820 32.85566 18.03618       4.844447  11.02948       4.629980  66.70287       70.10178 
1 1 1 23  -2  8  o 87.44677 40.15567 1.074983       5.830957  -1.959961      4.399802  23.48972       67.77104 
1 1 1 23  -2  9  o 191.1084 53.73869 8.910122       6.284523  14.46987       7.052366  -35.10953      91.83163 
1 1 1 23  -2  10 o 113.3045 48.89077 1.194877       5.884212  3.620148       6.722584  -14.12962      78.46134 
1 1 1 23  -2  11 o 173.4718 55.97656 11.99686       6.601694  7.174405       7.141204  31.61163       90.44878 
1 1 1 23  -2  12 o 279.8647 33.56579 17.40767       4.888543  25.00746       7.165977  -29.12233      76.59415 
1 1 1 23  -2  13 o 137.3177 50.97464 5.510001       5.586879  5.877798       5.998827  -2.497147      81.19154 
1 1 1 23  -2  14 f 103.4038 47.41021 0.1903065      4.870263  0.000000       0.000000  ?              ?        
1 1 1 23  -2  15 o 188.3120 47.51308 6.450799       5.291130  15.65748       5.848984  -71.90546      82.37361 
1 1 1 23  -2  16 o 111.6900 41.55882 1.398123       3.751657  5.334893       3.950881  -31.25171      66.83205 
1 1 1 23  -2  17 o 163.1582 39.04779 10.09331       3.936153  4.696807       3.863389  55.36647       68.88054 
1 1 1 23  -2  18 o 115.5938 41.50004 4.859092       3.754859  2.669597       3.816612  17.36563       66.73830 
1 1 1 23  -2  19 o 125.9538 41.61611 6.262091       3.719024  2.912846       3.840845  29.03294       67.49734 
1 1 1 23  -2  20 o 99.00149 40.18605 1.970010       3.947111  2.610250       3.766571  -3.334610      64.14149 
1 1 1 23  -1  0  o 138.7592 46.59589 3.485408       4.651641  8.956285       4.818886  -40.01021      74.78320 
1 1 1 23  -1  1  o 90.82567 40.14388 -3.219731      4.373695  4.868591       4.525305  -42.57094      65.63870 
1 1 1 23  -1  2  o 152.1943 44.59241 10.48480       4.508016  3.449370       4.452563  60.18167       73.04353 
1 1 1 23  -1  3  o 119.4527 43.69254 7.624990       4.290381  0.5982777      4.156013  52.65477       69.20502 
1 1 1 23  -1  4  o 126.3869 44.20775 7.296535       4.287493  1.786719       4.255744  43.00192       70.73524 
1 1 1 23  -1  5  o 417.7890 22.81302 47.04356       6.063039  35.54868       5.730721  61.98544       47.85203 
1 1 1 23  -1  6  o 148.0242 44.46165 7.108255       4.251833  5.199659       4.586424  17.20921       74.56406 
1 1 1 23  -1  7  o 117.1476 44.51171 4.598019       4.331969  2.170569       4.609225  15.70878       71.46262 
1 1 1 23  -1  8  o 102.6248 45.67339 4.535397       5.797826  -3.415945      5.917316  33.42444       74.31383 
1 1 1 23  -1  9  o 93.77187 43.26535 0.1328847      5.652298  -2.530857      6.099119  6.791527       71.26672 
1 1 1 23  -1  10 o 175.6192 46.81759 8.874081       4.514997  8.604101       6.310861  9.785812       82.45556 
1 1 1 23  -1  11 o 179.1879 52.60516 12.63765       6.207144  6.796920       6.251953  42.53639       87.72182 
1 1 1 23  -1  12 o 162.8480 51.79685 7.074359       5.587813  9.248153       6.236744  -13.98425      85.63692 
1 1 1 23  -1  13 o 143.8657 51.72617 2.991422       5.645583  10.00336       6.153504  -44.41936      82.83193 
1 1 1 23  -1  14 o 142.8457 52.09684 4.633574       5.443555  8.626801       6.758229  -24.08324      84.07533 
1 1 1 23  -1  15 o 96.14328 39.97288 2.945698       3.888783  0.1868975      3.978313  17.04440       64.52754 
1 1 1 23  -1  16 o 95.53735 40.03381 1.065068       3.881602  2.087247       4.109661  -7.863327      64.71367 
1 1 1 23  -1  17 o 133.5936 42.63745 3.735681       3.810520  6.730461       4.186713  -26.27410      70.59779 
1 1 1 23  -1  18 o 82.20908 36.39930 4.201443       3.635617  -3.959079      3.709752  46.93306       59.79566 
1 1 1 23  -1  19 o 94.52999 38.83637 3.012022       3.636500  0.6136436      3.669136  15.87436       62.35675 
1 1 1 23  -1  20 o 178.9565 35.45722 9.791944       3.792579  7.445813       3.801263  26.29527       68.87812 
1 1 1 23  -1  21 o 129.1505 41.05565 2.824192       3.614109  7.282883       3.788292  -40.02693      67.03280 
1 1 1 23  0   0  o 211.8347 37.94501 11.09424       4.750454  13.49079       4.857440  -22.50604      77.17027 
1 1 1 23  0   1  o 253.4506 31.86701 14.91416       4.871359  17.80560       4.928469  -27.18877      70.13136 
1 1 1 23  0   2  o 150.1798 44.51300 9.532259       4.559058  4.092270       4.334692  46.38685       73.95541 
1 1 1 23  0   3  o 83.93600 37.91086 0.8789734      4.209230  -1.365254      4.193063  11.17080       62.38359 
1 1 1 23  0   4  o 91.79994 40.03712 2.790723       4.325903  -1.292835      4.258945  22.87204       65.32154 
1 1 1 23  0   5  o 112.8287 42.77489 4.744231       4.189732  1.652601       4.047915  23.38721       68.95326 
1 1 1 23  0   6  o 180.4271 41.07825 11.74217       4.488329  5.803571       4.499994  58.45270       73.79210 
1 1 1 23  0   7  o 128.6440 51.47936 1.241620       6.051420  7.552855       6.417371  -34.43339      82.14027 
1 1 1 23  0   8  o 140.8583 52.76545 0.8771376      6.031037  11.05827       6.434439  -60.81187      83.74754 
1 1 1 23  0   9  o 114.2784 48.19812 2.453021       5.839756  2.179267       5.847256  1.319481       77.48396 
1 1 1 23  0   10 o 160.1987 46.76380 7.667116       4.249562  6.303871       6.114302  13.45192       79.73582 
1 1 1 23  0   11 o 94.40841 43.20220 1.340869       5.537873  -3.284267      5.838706  16.22729       71.27634 
1 1 1 23  0   12 o 108.6843 46.52343 2.222181       5.407993  1.163906       5.780327  3.067810       75.05562 
1 1 1 23  0   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  0   14 o 247.1091 36.03082 16.79466       4.677095  13.34153       6.470415  53.86974       78.72768 
1 1 1 23  0   15 o 154.3582 42.63421 4.689584       4.178937  8.658273       4.256257  -37.37943      72.84970 
1 1 1 23  0   16 o 104.1653 41.43746 -1.038676      3.773212  6.865990       4.298813  -58.99308      66.81231 
1 1 1 23  0   17 o 86.25506 40.05872 -1.188499      3.641574  0.000000       0.000000  ?              ?        
1 1 1 23  0   18 o 201.8849 33.68526 10.22968       4.004385  10.77824       4.138893  -4.343903      69.50672 
1 1 1 23  0   19 o 98.99415 40.01167 2.093833       3.691799  2.099468       3.922089  -1.382103      64.39381 
1 1 1 23  0   20 f 165.6455 38.76323 9.173244       3.887014  6.158181       3.937573  31.88628       70.38848 
1 1 1 23  0   21 o 99.74252 40.00673 4.439528       3.737117  0.1727613      3.802619  28.92030       63.78070 
1 1 1 23  0   22 o 79.89756 35.71916 -0.5862234     3.570779  0.9970137      3.680418  -9.449379      58.32088 
1 1 1 23  1   0  o 89.17730 39.67359 1.384870       4.368073  -0.4709357     4.462998  8.442085       64.37041 
1 1 1 23  1   1  o 163.4206 44.20763 8.513892       4.656698  7.077368       4.524094  12.25374       76.85887 
1 1 1 23  1   2  o 119.5554 44.16882 4.285336       4.364254  3.633986       4.299819  4.849541       70.97756 
1 1 1 23  1   3  o 148.4540 44.66220 3.044158       4.373775  9.931481       4.523789  -59.17507      73.01298 
1 1 1 23  1   4  o 217.7734 36.83696 16.49590       4.980289  8.702767       4.636207  73.69739       73.64386 
1 1 1 23  1   5  o 151.2495 44.57058 7.045406       4.586551  5.867484       4.352184  10.06516       75.60854 
1 1 1 23  1   6  o 137.7917 45.77577 2.281297       4.544959  8.311314       4.595111  -48.47323      73.89475 
1 1 1 23  1   7  o 133.4606 52.10334 4.892050       6.456338  4.509223       6.036057  3.260788       83.21626 
1 1 1 23  1   8  o 109.0664 47.32919 6.425701       6.224963  -2.863580      5.682093  47.31484       77.53981 
1 1 1 23  1   9  o 162.6287 42.89407 7.273889       4.244564  6.941970       4.548480  4.025513       75.44931 
1 1 1 23  1   10 o 126.4791 49.44293 6.556592       5.511155  0.9436725      5.737969  32.26340       78.95875 
1 1 1 23  1   11 o 95.09625 43.03248 -0.6718336     5.215785  -0.3294294     5.702889  -5.249100      71.09718 
1 1 1 23  1   12 o 171.5679 49.57363 4.915233       6.302248  10.65697       5.047294  -45.87578      82.13692 
1 1 1 23  1   13 o 183.4642 44.76953 6.948772       6.414198  10.25257       4.297894  -36.11232      79.94086 
1 1 1 23  1   14 o 233.5045 30.55091 12.68540       4.301161  14.01174       4.337458  -13.27330      65.46288 
1 1 1 23  1   15 o 110.2606 42.90620 5.786049       4.189083  -0.2820581     4.246568  42.34959       68.49426 
1 1 1 23  1   16 o 86.43371 37.97565 3.162816       4.024809  -2.290585      3.832072  33.31459       62.71994 
1 1 1 23  1   17 o 118.1758 42.75166 7.181607       4.016109  0.2508990      4.036502  54.21230       67.56187 
1 1 1 23  1   18 o 86.65723 37.85735 0.2456008      3.783060  0.8894706      3.923262  -4.861053      61.79386 
1 1 1 23  1   19 o 129.9080 42.54120 6.388404       3.926912  3.131211       3.976893  28.23087       69.47652 
1 1 1 23  1   20 o 103.8917 40.88491 3.022234       3.878797  2.223303       3.852282  5.730515       65.57386 
1 1 1 23  1   21 o 164.2834 39.47602 8.034271       3.967482  7.226979       3.977966  8.398270       71.73724 
1 1 1 23  1   22 o 76.22984 34.68567 -0.2313709     3.539017  -0.5031021     3.656468  0.3255463      57.06141 
1 1 1 23  1   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  2   0  o 76.90711 35.96256 -0.3812415     4.272873  -2.538792      4.257923  9.172218       59.96526 
1 1 1 23  2   1  o 81.07044 37.10017 -4.344540      4.175883  2.978647       4.206450  -35.52887      62.01363 
1 1 1 23  2   2  o 96.34466 40.60084 -1.661408      4.027954  5.084291       4.264167  -42.95387      65.80318 
1 1 1 23  2   3  o 94.82227 40.30675 0.1320238E-01  4.151793  2.451396       4.129004  -14.32314      65.34319 
1 1 1 23  2   4  o 157.4955 43.02822 4.896793       4.225818  9.076715       4.425364  -38.79913      73.89361 
1 1 1 23  2   5  o 148.7928 44.96896 6.588721       4.658162  5.841212       4.358340  6.222855       75.79170 
1 1 1 23  2   6  o 125.7588 50.30876 4.203367       6.172536  3.458772       5.739936  5.637711       80.54584 
1 1 1 23  2   7  o 134.9335 51.51865 3.278006       6.040632  6.290369       5.957267  -17.43268      82.45700 
1 1 1 23  2   8  o 84.77026 40.41799 -2.369691      5.984069  -4.814747      5.809704  9.488838       68.66551 
1 1 1 23  2   9  o 106.4945 44.36156 0.4546577      4.170907  4.536689       6.053201  -35.23962      74.55001 
1 1 1 23  2   10 o 126.7104 50.06932 3.252427       5.648073  4.284480       6.005274  -7.408310      80.57246 
1 1 1 23  2   11 o 138.4353 51.11229 6.018382       5.610453  4.046540       6.008106  11.32883       82.28188 
1 1 1 23  2   12 f 114.4961 42.61019 2.064180       3.898998  4.258772       4.208426  -18.80521      69.38578 
1 1 1 23  2   13 o 100.9593 40.92020 0.3608514      3.954740  3.268776       4.024059  -20.60889      66.48835 
1 1 1 23  2   14 o 263.1764 27.68773 16.13158       4.338115  17.00199       4.576428  -5.388336      59.35457 
1 1 1 23  2   15 o 336.0535 23.66446 24.16681       4.784335  28.86676       5.027878  -31.05280      49.53233 
1 1 1 23  2   16 o 72.49834 33.74953 -0.9453565     3.667008  -2.159478      3.711999  5.360130       57.00359 
1 1 1 23  2   17 o 144.6972 42.80728 5.800443       4.184170  5.895204       4.043092  -1.091354      72.53504 
1 1 1 23  2   18 o 103.6152 40.62751 -0.6914209     3.675764  6.095318       3.948819  -51.74877      65.05348 
1 1 1 23  2   19 o 192.3560 35.90025 6.308253       3.966100  13.79177       4.307373  -75.76564      68.68477 
1 1 1 23  2   20 o 72.69349 34.06781 2.084442       4.058497  -4.710285      3.694160  35.31227       58.64173 
1 1 1 23  2   21 o 211.6207 32.43383 17.69207       4.390671  6.822042       3.897576  106.6627       65.07661 
1 1 1 23  2   22 o 102.8928 40.46567 1.566157       3.804402  3.714692       3.764840  -14.96400      64.66729 
1 1 1 23  2   23 o 195.4513 33.48436 14.58306       4.029899  6.244760       3.807110  87.05203       65.33604 
1 1 1 23  3   0  o 94.64812 40.62127 -0.2350232     4.215138  2.967370       4.344504  -18.71383      65.61258 
1 1 1 23  3   1  o 213.5521 36.44490 12.43542       4.627005  11.45685       4.683021  10.83051       74.93392 
1 1 1 23  3   2  o 98.53773 41.42364 -0.4856695     4.319983  3.723953       4.268271  -24.63435      66.74825 
1 1 1 23  3   3  o 167.5211 42.79752 10.86092       4.567275  5.049905       4.365621  54.08157       74.27296 
1 1 1 23  3   4  o 109.2305 42.87135 0.7197562E-01  4.268035  5.236963       4.213296  -35.35712      68.68199 
1 1 1 23  3   5  o 165.1001 42.00454 9.698561       4.420891  5.276828       4.210058  42.55507       73.71780 
1 1 1 23  3   6  o 267.1877 41.55064 22.91515       6.905506  14.98116       6.444289  62.04939       86.97840 
1 1 1 23  3   7  o 145.8461 51.74813 3.795146       5.908058  8.047132       5.829732  -27.71367      83.37212 
1 1 1 23  3   8  o 105.1811 45.85080 1.939996       5.503099  -0.2718157     5.751419  8.850914       74.71358 
1 1 1 23  3   9  o 229.7448 45.97789 13.70870       6.326653  14.53626       6.320703  -7.240387      89.48541 
1 1 1 23  3   10 o 245.8669 44.93280 12.77158       6.388898  19.65462       6.834703  -54.56979      89.24022 
1 1 1 23  3   11 o 294.5858 38.43022 23.46297       6.972564  20.33376       6.743917  23.02621       83.56632 
1 1 1 23  3   12 o 74.27280 34.67912 -4.781626      3.775086  1.538757       4.133779  -34.93339      60.12642 
1 1 1 23  3   13 o 110.9319 42.44027 7.973268       4.127610  -2.287691      4.026462  78.31882       66.04926 
1 1 1 23  3   14 o 225.8344 32.10434 13.51917       4.409221  11.49985       4.333634  20.31422       67.77971 
1 1 1 23  3   15 o 109.5086 41.96178 2.940701       3.922288  2.446547       4.058987  2.880241       68.03574 
1 1 1 23  3   16 f 90.63353 38.56460 -1.877866      3.769519  3.711859       3.824494  -36.52927      62.99690 
1 1 1 23  3   17 o 110.4282 41.64460 2.768800       3.815069  3.126827       3.970308  -3.535095      67.44314 
1 1 1 23  3   18 o 214.8408 31.70932 12.30741       3.991108  10.73517       4.216242  20.03711       67.15219 
1 1 1 23  3   19 o 133.8110 41.48052 4.797962       3.727483  5.304966       3.874005  -4.611740      69.34669 
1 1 1 23  3   20 o 92.25087 38.65084 3.609339       3.769259  -0.7684680     3.670588  29.42667       62.61441 
1 1 1 23  3   21 o 215.0822 31.83145 12.88755       4.161710  10.79427       4.077359  21.59290       67.73384 
1 1 1 23  3   22 o 87.62829 40.51139 -0.5309466     3.661150  0.000000       0.000000  ?              ?        
1 1 1 23  3   23 o 124.4225 41.00799 8.420590       3.794422  1.170249       3.556350  64.02344       65.04912 
1 1 1 23  3   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  4   0  o 120.4888 44.38309 5.246776       4.391748  3.007359       4.345278  16.11378       71.12010 
1 1 1 23  4   1  o 76.89128 35.93550 -3.854653      4.165279  0.7773563      4.338770  -21.81268      60.70792 
1 1 1 23  4   2  o 131.0272 44.99562 1.804197       4.324986  8.242213       4.513188  -50.70406      72.11487 
1 1 1 23  4   3  o 268.3138 30.40757 15.23716       4.931923  20.35325       5.012937  -46.00142      66.71066 
1 1 1 23  4   4  o 118.8072 44.07263 2.810532       4.279851  4.411705       4.362843  -12.14573      71.24798 
1 1 1 23  4   5  o 124.5158 44.51637 3.704910       4.353156  4.390007       4.348319  -5.275795      72.37010 
1 1 1 23  4   6  o 90.40622 42.06948 1.432730       5.888686  -4.793679      5.571691  26.18998       70.81309 
1 1 1 23  4   7  o 215.4040 51.35437 6.870978       6.407526  21.00176       7.189301  -104.6127      88.90729 
1 1 1 23  4   8  o 286.0593 38.78094 20.77055       6.921373  20.58232       6.506902  -3.558838      84.07668 
1 1 1 23  4   9  o 178.5123 52.89792 9.850013       6.368531  8.462662       6.184711  9.917007       89.42854 
1 1 1 23  4   10 o 392.2738 32.38801 29.53609       7.552406  45.89524       8.098096  -96.17264      70.99406 
1 1 1 23  4   11 o 317.0236 36.32660 22.94690       6.953046  26.90296       7.078599  -29.37875      79.54033 
1 1 1 23  4   12 o 111.0491 42.63541 1.525762       4.022454  3.934771       4.232466  -19.25423      69.31686 
1 1 1 23  4   13 o 265.5827 27.62904 13.34859       4.320793  20.63035       4.670215  -62.86679      59.44164 
1 1 1 23  4   14 o 187.5669 36.99146 9.246822       4.070015  8.586310       4.237062  8.317047       71.78896 
1 1 1 23  4   15 o 90.60955 39.04914 0.2660925      3.842172  0.9709175      4.144591  -7.043137      64.21344 
1 1 1 23  4   16 o 104.0195 41.28886 -0.3045937E-01 3.974965  4.402894       3.971692  -31.57360      66.58886 
1 1 1 23  4   17 o 164.0385 40.67646 7.543229       4.086258  6.939195       4.151711  6.456253       73.04288 
1 1 1 23  4   18 o 75.65697 34.91284 -1.134037      3.823698  -1.227848      3.816169  0.5379868      58.48686 
1 1 1 23  4   19 o 143.9004 40.91266 7.468149       3.741379  3.915799       3.913137  34.99126       69.01878 
1 1 1 23  4   20 o 121.6653 41.91341 6.319335       3.804881  1.861701       3.861240  37.36870       67.36709 
1 1 1 23  4   21 o 93.70740 39.11533 -1.331628      3.647340  4.831519       3.945536  -42.74857      63.47927 
1 1 1 23  4   22 f 91.90188 38.79751 0.7342193      3.760929  2.225299       3.824239  -9.598328      62.44888 
1 1 1 23  4   23 o 163.3067 39.89891 6.096788       3.931980  9.310266       4.086063  -31.19423      71.50333 
1 1 1 23  4   24 o 198.2872 33.81734 12.36786       4.160387  8.986290       3.875728  32.74388       69.57402 
1 1 1 23  5   0  o 100.0424 41.59823 1.597528       4.159780  2.426465       4.367248  -6.102180      66.78975 
1 1 1 23  5   1  o 149.3330 45.15674 5.855983       4.452934  7.116566       4.627235  -10.40622      75.83124 
1 1 1 23  5   2  o 146.6320 45.07517 10.82327       4.572278  1.855550       4.424725  75.50610       71.89705 
1 1 1 23  5   3  o 88.08327 39.14455 -5.733807      4.160776  6.776335       4.423375  -72.03377      64.98991 
1 1 1 23  5   4  o 208.4607 37.30685 9.816222       4.649674  12.66960       4.644538  -29.39224      74.82214 
1 1 1 23  5   5  o 67.24197 32.53547 0.2400746      4.219593  -7.582215      4.091905  31.18674       57.66243 
1 1 1 23  5   6  o 95.73317 40.78290 1.510933       4.385807  0.5217139      4.134996  7.971489       66.70438 
1 1 1 23  5   7  o 166.6570 52.98045 5.279387       6.059013  11.03635       6.262727  -40.55742      87.04207 
1 1 1 23  5   8  o 214.5897 48.44913 13.36536       6.368234  11.86504       6.226284  11.69823       90.13047 
1 1 1 23  5   9  o 138.6380 52.30771 7.419878       6.116611  2.478229       6.162277  29.40642       83.87592 
1 1 1 23  5   10 o 188.9267 52.71572 15.77750       6.708499  5.436525       6.150550  76.59932       88.31387 
1 1 1 23  5   11 o 126.3455 50.62526 0.3262638      6.042646  6.628906       6.016464  -34.79340      81.21250 
1 1 1 23  5   12 o 313.7071 24.74186 20.78066       4.635437  25.29335       4.929720  -31.83450      51.79168 
1 1 1 23  5   13 o 105.8730 41.25264 -0.1201004     3.781319  5.002116       4.036677  -40.65691      66.84608 
1 1 1 23  5   14 o 203.3506 34.07375 9.405502       4.150310  11.07174       4.142173  -18.30052      69.25775 
1 1 1 23  5   15 o 112.3105 44.68045 2.358724       3.985015  3.146006       5.871095  -15.60681      73.88607 
1 1 1 23  5   16 o 119.6766 42.60090 2.236030       3.923291  5.099810       4.039494  -24.04482      69.28080 
1 1 1 23  5   17 o 237.8985 29.93210 10.01769       4.281299  17.72312       4.359003  -76.78537      64.47910 
1 1 1 23  5   18 o 323.4810 23.66077 25.84412       4.793707  23.42115       4.640007  16.36282       49.68166 
1 1 1 23  5   19 o 97.61702 39.92016 -2.820289      3.662097  7.405233       4.039586  -74.94629      63.74306 
1 1 1 23  5   20 o 147.7042 41.01382 9.181103       3.806610  2.828123       3.981576  61.40072       67.60748 
1 1 1 23  5   21 f 157.3967 39.86549 6.536724       3.823804  7.260697       3.972298  -6.589127      71.10353 
1 1 1 23  5   22 o 87.43983 37.53808 0.9748995      3.624910  1.001559       3.686771  -0.6304092     60.79312 
1 1 1 23  5   23 f 106.8988 40.57851 4.395261       3.707206  1.787556       3.708597  19.53873       64.83453 
1 1 1 23  5   24 o 130.1229 41.28985 6.216743       3.798390  4.041644       3.687814  19.18227       68.02083 
1 1 1 23  6   0  o 111.8676 44.05527 2.991054       4.546179  3.382084       4.437848  -2.107338      70.36533 
1 1 1 23  6   1  o 83.43024 38.19550 -1.349335      4.388233  -0.5032774E-01 4.510622  -6.913666      63.14231 
1 1 1 23  6   2  o 94.09571 40.85450 0.8712188      4.413089  0.8201411      4.441235  0.6779480E-01  66.45670 
1 1 1 23  6   3  o 146.9560 44.26966 4.678107       4.312422  7.656251       4.423644  -26.10738      74.16456 
1 1 1 23  6   4  o 295.1283 27.42905 18.68363       4.862002  23.32775       5.072862  -35.97305      59.07664 
1 1 1 23  6   5  o 201.8984 37.29990 12.58383       4.534013  8.449131       4.465691  42.32947       73.38293 
1 1 1 23  6   6  o 214.2161 35.70770 7.442868       4.431302  16.29402       4.740301  -86.69688      70.45216 
1 1 1 23  6   7  o 180.7879 52.01445 10.72661       6.171829  8.164656       6.120270  19.30739       88.50152 
1 1 1 23  6   8  o 117.6642 48.67020 2.679685       5.804325  2.393120       5.773235  1.691673       78.55631 
1 1 1 23  6   9  o 91.29139 39.85984 -0.2782243     4.266834  0.8062824      4.261868  -6.105522      65.74113 
1 1 1 23  6   10 o 218.3717 49.59841 9.473638       6.449353  16.96198       6.687102  -59.60767      90.28945 
1 1 1 23  6   11 o 249.7055 44.74802 13.99677       6.674321  18.75275       6.679196  -40.62254      89.80973 
1 1 1 23  6   12 o 235.5411 31.43619 14.68292       4.495448  12.17014       4.461930  25.17165       66.75208 
1 1 1 23  6   13 o 115.8435 42.32940 4.919650       3.976059  1.455255       3.945677  28.21750       68.63700 
1 1 1 23  6   14 o 94.89199 39.97810 2.406895       4.091811  -0.2552423     3.939068  18.45389       65.52200 
1 1 1 23  6   15 f 104.9930 45.33329 1.114673       3.811544  0.000000       0.000000  ?              ?        
1 1 1 23  6   16 o 142.3638 42.13428 5.853734       3.943740  5.005984       4.023205  8.104477       71.47211 
1 1 1 23  6   17 o 188.8853 36.54689 9.224322       4.192236  9.113490       4.065375  0.1366425      71.61031 
1 1 1 23  6   18 o 70.46567 33.28614 -1.982823      3.833977  -2.356638      3.805851  1.966576       56.62857 
1 1 1 23  6   19 o 116.2370 42.04272 6.490093       3.867033  0.5158177      3.920766  47.62260       66.80447 
1 1 1 23  6   20 o 124.6236 41.70136 3.945191       3.693420  4.789917       3.897345  -7.589226      68.44022 
1 1 1 23  6   21 o 84.40485 36.98112 0.2039747      3.640578  0.7569937      3.759713  -4.229027      60.39476 
1 1 1 23  6   22 o 161.0823 39.10294 5.648802       3.741601  9.025513       4.006897  -33.34799      70.26382 
1 1 1 23  6   23 o 148.9301 40.61525 8.505789       3.831800  4.434177       3.878597  39.82094       69.14995 
1 1 1 23  6   24 o 62.76313 30.13590 -4.962032      3.337319  0.4317321      3.475273  -24.25381      52.15995 
1 1 1 23  6   25 o 158.1320 43.03648 12.07365       5.482886  5.769953       3.695187  39.13112       76.70983 
1 1 1 23  7   0  o 78.90723 36.66105 0.1546735      4.395229  -2.584009      4.248752  13.15667       61.15249 
1 1 1 23  7   1  o 133.2351 52.57732 0.000000       0.000000  5.403045       4.531295  ?              ?        
1 1 1 23  7   2  o 143.6249 45.36382 4.660144       4.532969  7.122992       4.509817  -20.56842      75.05333 
1 1 1 23  7   3  o 101.2040 42.14287 4.440666       4.433541  -0.7346453     4.330710  32.12982       68.07137 
1 1 1 23  7   4  o 214.4357 36.58399 9.521339       4.628833  14.35120       4.757613  -47.82146      73.98543 
1 1 1 23  7   5  o 80.98845 37.34524 2.349539       4.389502  -4.812614      4.329250  34.16319       63.12821 
1 1 1 23  7   6  o 211.7657 37.08886 7.419230       4.598279  15.82725       4.797337  -82.28882      72.20284 
1 1 1 23  7   7  o 119.4204 49.42264 -2.875368      5.707019  9.673869       6.280916  -69.96284      79.76195 
1 1 1 23  7   8  o 138.5868 50.70438 6.112777       5.666365  4.110476       5.705537  12.86610       81.83375 
1 1 1 23  7   9  o 91.78639 41.17723 -0.2151367     4.259035  -0.8170989     5.825047  -10.81941      69.06300 
1 1 1 23  7   10 o 268.3103 42.31400 16.92213       6.958647  20.06983       6.669691  -30.01953      88.70725 
1 1 1 23  7   11 o 108.1714 46.82328 5.662056       6.031826  -2.770356      5.556073  44.83835       76.98499 
1 1 1 23  7   12 o 89.65517 39.35944 -0.4376289     4.142498  0.6815030      4.277662  -7.616737      65.09528 
1 1 1 23  7   13 o 175.8500 39.18406 7.617723       4.137679  8.310661       4.192742  -7.080307      72.94821 
1 1 1 23  7   14 o 93.48779 41.08750 -1.867881      6.059431  1.055091       3.852512  4.741646       68.59087 
1 1 1 23  7   15 f 118.0826 45.74440 3.652150       4.049580  2.078439       6.125877  -1.108574      74.82891 
1 1 1 23  7   16 o 252.4469 28.22677 18.59665       4.510680  12.37896       4.195761  56.28203       60.79715 
1 1 1 23  7   17 o 96.09104 39.33496 -0.7926969     3.741945  3.840647       3.717972  -32.27394      63.66803 
1 1 1 23  7   18 o 94.67339 39.03613 1.972533       3.753312  0.9815289      3.664095  7.495255       63.44339 
1 1 1 23  7   19 o 167.2818 38.74123 5.312376       3.899811  9.813046       3.983402  -46.92047      69.81347 
1 1 1 23  7   20 o 189.2350 35.94729 7.244835       3.963521  11.86625       4.175727  -47.79643      69.99155 
1 1 1 23  7   21 o 140.5976 41.10775 8.629514       3.830523  2.703988       3.791171  56.23502       67.48691 
1 1 1 23  7   22 o 98.48715 39.81327 0.7731326      3.736748  3.464152       3.793504  -18.76689      63.97578 
1 1 1 23  7   23 o 82.76436 36.52552 -2.020795      3.598209  3.240509       3.743376  -31.06870      59.75869 
1 1 1 23  7   24 o 154.8901 38.97340 6.990630       3.794409  6.832201       3.689758  0.7989044      69.64513 
1 1 1 23  7   25 o 93.07927 38.06094 3.818605       3.558054  0.3235260      3.420987  24.48763       60.83544 
1 1 1 23  8   0  o 96.28431 41.67469 -1.704134      4.575698  4.193562       4.579373  -31.24014      67.34576 
1 1 1 23  8   1  o 102.9159 42.95159 2.065844       4.498634  2.058145       4.636199  -0.6978302     68.92696 
1 1 1 23  8   2  o 98.15028 41.77091 1.896976       4.422972  0.9351712      4.489264  4.984093       67.50317 
1 1 1 23  8   3  o 141.9674 45.75600 9.925649       4.742414  2.060099       4.436012  64.39686       73.64374 
1 1 1 23  8   4  o 107.9296 43.14058 3.133208       4.392992  1.966230       4.342422  7.895660       69.48810 
1 1 1 23  8   5  o 247.8647 32.37633 15.65641       4.900314  14.85116       4.819037  6.816574       69.90884 
1 1 1 23  8   6  o 171.3887 41.78210 8.964849       4.476916  6.888265       4.329304  19.90794       75.31687 
1 1 1 23  8   7  o 131.5456 44.49767 9.639614       4.404418  -0.4547953E-01 4.233168  80.09666       69.44112 
1 1 1 23  8   8  o 110.6329 47.71350 2.322194       6.118857  0.7407373      5.808833  9.297569       77.38777 
1 1 1 23  8   9  o 154.8377 52.75452 12.12779       6.263283  2.117059       5.889439  68.04247       84.37533 
1 1 1 23  8   10 o 130.0876 48.04520 4.599847       4.515763  3.639131       6.072771  0.2861786      78.31426 
1 1 1 23  8   11 o 166.6472 52.58366 4.283173       6.061761  11.58791       6.091220  -52.52147      85.85512 
1 1 1 23  8   12 o 105.5113 46.07717 0.6674420      5.616205  0.9250254      5.789139  -2.419441      75.24850 
1 1 1 23  8   13 o 230.3309 31.67377 11.62866       4.346679  14.21113       4.467424  -25.40735      67.00198 
1 1 1 23  8   14 o 118.1262 48.60630 0.000000       0.000000  2.671005       4.054036  ?              ?        
1 1 1 23  8   15 o 106.2194 43.95072 3.970694       4.170599  -1.895345      5.574370  23.01860       70.46307 
1 1 1 23  8   16 o 91.65338 39.17920 3.037522       4.026883  -1.290788      3.879053  28.35004       64.28540 
1 1 1 23  8   17 o 218.9352 31.36646 10.15338       4.139327  13.47630       4.137344  -35.73705      66.19354 
1 1 1 23  8   18 o 107.6511 40.75317 2.999135       3.713950  2.476046       3.754021  3.870834       66.00813 
1 1 1 23  8   19 o 147.5490 41.51735 8.256218       3.945122  3.810671       3.973291  42.98947       69.99245 
1 1 1 23  8   20 o 86.43504 40.08863 -1.103812      3.628439  0.000000       0.000000  ?              ?        
1 1 1 23  8   21 f 167.8470 37.07714 10.57898       3.871826  5.007650       3.652390  58.58092       67.35720 
1 1 1 23  8   22 o 75.75307 34.71826 -1.274903      3.690904  -0.1599766     3.685950  -5.523186      57.57040 
1 1 1 23  8   23 o 76.22088 34.62056 1.535742       3.480596  -2.318920      3.652085  18.44935       56.95510 
1 1 1 23  8   24 o 157.1007 38.32269 5.915422       3.649479  8.273295       3.754478  -23.94128      68.91950 
1 1 1 23  8   25 o 79.26988 35.14355 -0.4141189     3.310184  1.469521       3.572979  -12.65149      57.18044 
1 1 1 23  9   0  o 124.8525 48.36015 3.791280       6.362825  4.912708       4.689792  -3.231964      76.86095 
1 1 1 23  9   1  o 109.5577 44.19372 2.232196       4.737825  3.324836       4.525105  -5.690475      70.65849 
1 1 1 23  9   2  o 96.83379 41.49962 1.342028       4.569932  1.317699       4.345488  1.588638       67.04179 
1 1 1 23  9   3  o 193.5228 57.47187 0.000000       0.000000  12.13910       5.232657  ?              ?        
1 1 1 23  9   4  o 139.8013 45.95883 9.389191       4.824398  2.325789       4.422282  56.96986       74.39243 
1 1 1 23  9   5  o 99.22411 41.71843 0.9448400      4.381001  2.077925       4.331911  -6.396172      67.56115 
1 1 1 23  9   6  o 89.10995 39.43127 -1.726942      4.319351  1.963351       4.287055  -19.39536      64.89829 
1 1 1 23  9   7  o 199.1317 38.81110 13.01900       4.882745  8.085300       4.398685  46.15683       75.12948 
1 1 1 23  9   8  o 169.4570 43.98037 6.078630       4.617649  9.599758       4.709243  -32.66174      77.09302 
1 1 1 23  9   9  o 181.4250 53.91257 11.28872       6.697526  8.281755       6.337902  20.58394       90.84274 
1 1 1 23  9   10 o 98.95348 44.61066 -0.5403883     5.853285  -0.1621492     5.720876  -0.6252975     73.42645 
1 1 1 23  9   11 o 205.3675 50.44829 8.969926       6.449941  14.55117       6.311457  -45.53859      89.60947 
1 1 1 23  9   12 o 176.8684 52.28367 19.71799       6.597733  0.8057021      5.759009  137.7373       80.06750 
1 1 1 23  9   13 o 102.8175 41.82322 -0.4142914     4.106472  4.223651       4.266961  -32.44645      67.95361 
1 1 1 23  9   14 o 223.2240 38.86418 8.113941       6.631110  14.79227       4.401460  -74.27306      77.47417 
1 1 1 23  9   15 o 149.3069 43.04284 4.680602       4.147702  7.436237       4.264020  -25.89507      73.22182 
1 1 1 23  9   16 o 182.1195 37.80615 9.136818       4.137128  8.050838       4.125129  11.59955       72.20021 
1 1 1 23  9   17 o 105.8729 41.43358 2.814372       3.986487  2.083771       3.916660  5.719902       67.06194 
1 1 1 23  9   18 o 186.8445 37.55000 10.84255       4.190596  7.447948       4.211549  36.23242       71.93819 
1 1 1 23  9   19 o 110.3345 41.44185 3.374600       3.848863  2.723392       3.839247  5.051689       66.93721 
1 1 1 23  9   20 o 305.8564 24.39824 24.94360       4.693725  19.99666       4.494191  36.75021       52.15954 
1 1 1 23  9   21 o 151.5130 40.28444 4.420388       3.799855  8.697162       3.904668  -42.25994      69.34417 
1 1 1 23  9   22 o 210.7978 31.20207 9.767641       3.926455  12.95706       3.988252  -34.48651      66.14195 
1 1 1 23  9   23 o 166.8996 37.72461 7.707601       3.768967  7.928219       3.859728  -1.437668      70.27322 
1 1 1 23  9   24 o 76.55623 34.73984 -0.6395469     3.547725  0.3025480      3.607818  -5.342400      56.88941 
1 1 1 23  9   25 o 71.33628 33.05171 -0.7193433     3.440413  -0.7773333     3.509604  -0.3513794     54.50205 
1 1 1 23  10  1  o 94.34365 40.97326 -1.543340      4.361830  3.888726       4.555179  -30.45770      66.60719 
1 1 1 23  10  2  o 105.6078 43.00441 3.684513       4.270965  0.9224457      4.607696  15.17284       68.81546 
1 1 1 23  10  3  o 86.46606 38.93172 3.237448       4.302669  -3.850826      4.484360  33.30972       64.12432 
1 1 1 23  10  4  o 181.4418 48.13322 11.81893       6.600276  8.333442       4.821352  18.42194       85.80833 
1 1 1 23  10  5  o 132.7151 45.85663 5.483939       4.675871  4.407602       4.506982  8.490082       74.68378 
1 1 1 23  10  6  o 181.0141 42.42207 9.826821       4.797028  8.170433       4.570826  14.53072       77.79008 
1 1 1 23  10  7  o 120.3624 44.22945 4.670975       4.471054  2.839251       4.208498  14.72280       71.71144 
1 1 1 23  10  8  o 186.1957 41.32322 14.97789       4.848550  4.335397       4.470821  99.67566       71.77495 
1 1 1 23  10  9  o 136.6112 51.96425 5.625721       6.143500  4.447661       6.034513  7.138977       83.22094 
1 1 1 23  10  10 o 168.7157 53.15991 14.91622       6.322030  2.293124       6.108353  88.13016       84.27233 
1 1 1 23  10  11 o 103.8615 42.40473 3.101037       4.344040  0.6990678      4.297918  15.89911       68.81887 
1 1 1 23  10  12 o 224.5693 47.63390 10.15201       6.567677  17.23538       6.300132  -60.96992      88.59357 
1 1 1 23  10  13 f 243.3156 47.17462 11.62205       6.942402  20.45225       6.786607  -73.59969      90.40857 
1 1 1 23  10  14 o 163.6317 47.30123 1.829453       5.910418  10.80796       4.511143  -69.65177      75.54096 
1 1 1 23  10  15 o 139.8326 43.51599 6.072258       4.202325  4.572108       4.150251  13.50850       72.72984 
1 1 1 23  10  16 o 167.2110 39.90903 9.742475       4.192413  5.364870       3.979647  44.24478       71.47622 
1 1 1 23  10  17 o 161.5936 39.87004 10.41713       4.056767  3.881850       3.891605  66.09482       68.79742 
1 1 1 23  10  18 f 75.15244 34.79634 -2.093253      3.869429  -0.5098764     3.813738  -7.003479      58.37257 
1 1 1 23  10  19 o 227.8892 31.07196 10.25010       4.210160  15.94195       4.349603  -57.55106      66.40613 
1 1 1 23  10  20 o 88.62941 38.36403 1.067791       3.914925  0.6360319      3.845348  3.042755       62.29270 
1 1 1 23  10  21 o 78.85802 35.75669 -2.227823      3.855891  1.410854       3.710264  -17.28333      58.92643 
1 1 1 23  10  22 o 88.46681 37.88862 -2.014977      3.691916  4.204672       3.723554  -38.80603      61.36719 
1 1 1 23  10  23 f 76.66068 34.73671 1.050908       3.689363  -1.270120      3.445186  14.26823       57.21313 
1 1 1 23  10  24 o 82.04913 36.10407 1.159170       3.557006  0.1240853      3.562945  5.801910       58.39571 
1 1 1 23  10  25 o 160.1316 38.67085 7.896423       3.751286  7.181017       3.845626  8.391235       70.09734 
1 1 1 23  11  1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  11  2  o 107.2538 43.26440 1.939821       4.354304  3.364772       4.520830  -9.700760      69.37759 
1 1 1 23  11  3  o 101.2771 42.24806 2.657168       4.406744  1.144580       4.422313  8.826469       67.97268 
1 1 1 23  11  4  o 119.5003 44.64433 4.729708       4.357335  2.780616       4.546033  13.16515       71.68150 
1 1 1 23  11  5  o 126.4632 45.53984 4.381485       4.605580  4.278838       4.519909  0.9765167      73.71555 
1 1 1 23  11  6  o 97.51472 41.33601 -0.8127526     4.228635  3.726869       4.447477  -28.39674      67.24310 
1 1 1 23  11  7  o 94.12432 40.68542 -2.145364      4.162972  4.484220       4.567469  -41.08219      66.95621 
1 1 1 23  11  8  o 172.9989 42.24899 6.988117       4.356986  9.442461       4.645147  -22.45885      76.17087 
1 1 1 23  11  9  f 188.0089 39.86221 10.80405       4.396787  7.680090       4.620603  33.24847       74.96457 
1 1 1 23  11  10 o 138.6189 52.70272 4.748564       6.125836  5.944171       6.404862  -7.394272      84.24107 
1 1 1 23  11  11 o 161.2587 53.21950 8.041309       6.135342  7.418368       6.225238  4.280212       87.06748 
1 1 1 23  11  12 o 194.5306 45.22631 9.732022       4.710166  11.52774       6.362446  -5.177094      84.40652 
1 1 1 23  11  13 o 122.8550 50.67199 3.200192       6.483409  3.346786       6.040939  1.072708       81.06013 
1 1 1 23  11  14 o 95.63882 42.19307 4.564940       6.401994  -1.334774      4.110422  44.69455       73.05262 
1 1 1 23  11  15 o 103.8158 41.74371 5.544957       4.226344  -0.9441760     4.011294  46.10696       67.30354 
1 1 1 23  11  16 o 217.4854 34.30549 12.79413       4.484309  11.13544       4.465655  17.23286       71.49605 
1 1 1 23  11  17 o 75.33057 35.11103 0.1975667E-01  4.131367  -3.022093      3.903212  16.31310       59.38850 
1 1 1 23  11  18 f 244.6795 29.55587 15.16185       4.438770  14.36439       4.352877  6.786499       64.19664 
1 1 1 23  11  19 o 90.27300 39.07265 -0.8070299     4.037345  2.514173       4.010254  -18.86124      63.49210 
1 1 1 23  11  20 o 230.1983 32.61998 13.22436       4.489696  14.04667       4.566717  -7.299896      70.51209 
1 1 1 23  11  21 o 169.3270 40.45269 5.092634       4.180081  11.19035       4.201391  -59.92788      71.11578 
1 1 1 23  11  22 o 141.0453 42.03586 8.456622       4.142985  3.689290       3.787497  42.64864       70.09604 
1 1 1 23  11  23 o 172.6104 39.02330 7.465822       4.073077  9.667305       4.086808  -22.41135      72.35802 
1 1 1 23  11  24 o 99.81832 39.76588 3.392998       3.864441  1.949101       3.552451  10.93657       63.37960 
1 1 1 23  11  25 o 80.90002 36.11868 1.773394       3.719709  -0.6985775     3.666294  13.20525       58.34336 
1 1 1 23  12  2  o 77.31493 36.08417 -0.6880645     4.341907  -2.178255      4.184067  7.798279       60.27884 
1 1 1 23  12  3  o 96.65244 41.46148 -2.544033      4.424289  5.251890       4.482614  -44.18999      67.12298 
1 1 1 23  12  4  o 117.1717 44.33002 1.759203       4.399039  5.557439       4.434000  -26.56751      70.92944 
1 1 1 23  12  5  o 111.1427 43.86513 5.148507       4.524335  0.8365499      4.400249  28.88928       70.34064 
1 1 1 23  12  6  o 139.7322 45.63762 2.730755       4.536018  8.351037       4.562585  -45.56470      73.95538 
1 1 1 23  12  7  o 101.7774 42.35618 3.962527       4.471858  -0.2322402     4.373477  25.96867       68.43269 
1 1 1 23  12  8  o 149.0263 45.27810 6.725707       4.462840  5.898534       4.652086  7.367371       75.95943 
1 1 1 23  12  9  o 284.0312 29.15751 18.26061       4.958644  21.06403       5.177247  -21.49628      63.20798 
1 1 1 23  12  10 o 170.7846 42.23453 5.685534       4.268636  10.63657       4.654498  -46.26279      74.93619 
1 1 1 23  12  11 o 160.7636 53.31803 1.393072       5.877686  15.92208       6.582943  -97.02523      83.87756 
1 1 1 23  12  12 o 106.4522 46.88358 3.911973       5.895764  -2.071595      6.142720  24.57095       75.85454 
1 1 1 23  12  13 o 104.7413 46.02485 -0.8731216     5.505892  3.297363       6.068310  -22.15197      75.03111 
1 1 1 23  12  14 o 111.7569 47.25436 2.416399       5.603632  2.028727       5.677420  1.562523       75.88769 
1 1 1 23  12  15 o 122.0720 43.50840 7.858630       4.272643  0.4462913      4.042413  59.75991       69.17801 
1 1 1 23  12  16 o 181.5863 38.53363 10.14011       4.172445  7.315002       4.240335  30.20386       72.62428 
1 1 1 23  12  17 o 133.5060 43.20867 3.703794       3.957853  6.488287       4.220662  -24.26568      71.29140 
1 1 1 23  12  18 o 96.19364 39.89190 2.489093       3.933483  0.8434330      3.872767  11.02841       64.44183 
1 1 1 23  12  19 o 187.6003 38.54582 13.94342       4.384092  5.418092       4.288575  84.51689       69.98183 
1 1 1 23  12  20 o 85.76682 37.82015 2.778126       3.868963  -1.895620      3.985313  24.63315       61.55132 
1 1 1 23  12  21 f 171.7096 38.71393 9.353799       4.009585  7.038060       4.040214  24.48526       71.68847 
1 1 1 23  12  22 f 97.54353 39.82535 3.209284       3.771245  1.001745       3.852348  14.02190       63.65054 
1 1 1 23  12  23 o 102.0124 40.77078 3.429638       3.830908  2.068241       3.973795  8.425873       64.62263 
1 1 1 23  12  24 o 121.3548 41.50866 2.923902       3.630452  6.465942       3.898229  -28.77202      66.93159 
1 1 1 23  12  25 o 94.64906 38.76498 4.234173       3.671878  0.4334174      3.579803  24.97768       61.46465 
1 1 1 23  13  3  o 91.67894 40.21322 -1.352673      4.463382  2.711365       4.309601  -20.09105      65.21891 
1 1 1 23  13  4  o 188.5790 41.10946 16.09036       4.945507  4.749721       4.441024  103.2643       71.92645 
1 1 1 23  13  5  o 202.7143 38.07048 8.741632       4.611396  13.20562       4.611670  -45.36464      74.74723 
1 1 1 23  13  6  o 88.63487 39.22970 -0.3717059     4.385810  0.9293598      4.147229  -4.862831      64.10138 
1 1 1 23  13  7  o 120.8206 44.17435 2.961196       4.314022  4.756639       4.315039  -13.41247      71.34144 
1 1 1 23  13  8  o 132.9475 44.75941 6.492746       4.475514  3.565840       4.266315  23.89057       73.13994 
1 1 1 23  13  9  o 151.4052 44.25929 5.012641       4.428103  8.003536       4.407478  -26.71974      74.65611 
1 1 1 23  13  10 o 111.2119 42.99800 -0.1440679     4.080821  6.539209       4.362973  -48.98206      68.87364 
1 1 1 23  13  11 o 234.9518 33.44836 11.50081       4.622526  16.57811       4.861327  -47.88115      71.07341 
1 1 1 23  13  12 o 251.4102 45.32105 17.51708       6.639328  17.46912       6.990397  5.041321       92.47747 
1 1 1 23  13  13 o 121.8197 49.83673 4.067118       6.049190  3.091484       5.918690  5.420959       79.31182 
1 1 1 23  13  14 o 128.5898 51.71568 9.947170       7.137561  0.8627889      5.726316  49.74444       83.61365 
1 1 1 23  13  15 o 207.8908 51.02734 12.76116       6.831539  13.10448       6.266540  -7.403778      91.91794 
1 1 1 23  13  16 o 147.4176 49.18643 6.639997       4.559649  6.425447       6.485168  3.077591       80.72585 
1 1 1 23  13  17 o 133.0968 44.20696 7.305410       4.287867  2.943729       4.236629  35.77937       71.72816 
1 1 1 23  13  18 o 110.6555 42.41065 5.525638       4.136430  0.9545822      4.016777  33.14725       67.79748 
1 1 1 23  13  19 o 101.7159 41.30001 5.009709       4.099130  -0.2603329     4.044772  34.42813       65.99059 
1 1 1 23  13  20 o 83.82669 37.57685 0.2126152      4.022451  0.7291111E-01  4.058559  0.4233780      61.27967 
1 1 1 23  13  21 o 137.9879 51.49374 0.000000       0.000000  6.402542       4.182647  ?              ?        
1 1 1 23  13  22 o 160.3715 41.92026 10.88927       4.258291  4.617970       4.175321  57.91358       71.40967 
1 1 1 23  13  23 o 66.15363 31.63436 -1.725491      3.656273  -2.422067      3.678888  2.511070       53.11502 
1 1 1 23  13  24 o 71.20177 33.30873 -1.924474      3.611817  -0.5980349E-01 3.721627  -9.120033      55.08977 
1 1 1 23  13  25 o 82.46559 36.61714 2.422478       3.773204  -0.7266974     3.712560  16.63531       58.78027 
1 1 1 23  14  4  o 85.46526 38.52740 -2.099546      4.385955  1.783801       4.246936  -17.68033      63.15513 
1 1 1 23  14  5  o 137.4754 44.64199 3.365782       4.361201  7.628527       4.351187  -35.08856      72.70914 
1 1 1 23  14  6  o 82.14787 37.57309 -0.4588351E-01 4.402204  -1.234941      4.187841  7.352715       62.14627 
1 1 1 23  14  7  o 86.71709 39.04014 -2.605957      4.495764  2.226672       4.335989  -22.09268      64.08330 
1 1 1 23  14  8  o 159.1977 45.28600 3.333131       4.692195  11.21049       4.676708  -68.01016      74.30534 
1 1 1 23  14  9  o 134.2975 45.14306 1.462611       4.503586  8.560240       4.383698  -56.11899      71.74757 
1 1 1 23  14  10 o 96.57954 41.00286 -1.886465      4.225274  4.772649       4.327579  -40.20683      66.45045 
1 1 1 23  14  11 o 114.2987 43.52720 1.299220       4.323161  5.288637       4.228093  -27.78269      69.60931 
1 1 1 23  14  12 o 230.5085 33.63041 17.29732       4.840090  10.28298       4.511580  66.30396       70.74364 
1 1 1 23  14  13 o 93.98472 43.26564 -1.743585      5.537908  0.6684628      6.141069  -12.76031      71.04302 
1 1 1 23  14  14 o 169.2274 54.47427 9.513272       6.399161  9.142946       6.595581  3.066956       88.81096 
1 1 1 23  14  15 o 147.4850 51.14404 13.23333       6.153867  1.989181       5.351043  73.54733       81.48756 
1 1 1 23  14  16 o 108.2207 50.52374 -0.9360458E-01 5.913810  0.000000       0.000000  ?              ?        
1 1 1 23  14  17 o 145.5260 43.90474 9.765714       4.536125  3.383152       4.085108  54.59353       72.52770 
1 1 1 23  14  18 o 120.3886 43.44095 2.835097       4.172749  5.459867       4.135182  -19.70736      69.68941 
1 1 1 23  14  19 f 103.2058 41.34223 3.917088       4.133212  1.355906       3.915397  17.91798       66.20029 
1 1 1 23  14  20 o 146.7788 42.09438 9.234440       4.177078  3.825491       3.899858  49.04723       70.49396 
1 1 1 23  14  21 o 147.0058 41.94928 6.489313       4.122497  6.422183       3.912388  -0.4771576     71.57456 
1 1 1 23  14  22 f 95.23756 39.53783 -0.2088092     3.926238  4.198691       3.758420  -26.34166      62.68759 
1 1 1 23  14  23 o 72.83186 34.05036 0.8662085      3.967608  -2.580913      3.689155  17.15852       56.53836 
1 1 1 23  14  24 o 98.68229 40.43532 1.560692       3.906310  3.752424       3.987655  -13.52847      63.76656 
1 1 1 23  14  25 o 115.3933 41.91664 4.010107       3.944197  4.782012       3.810746  -5.789268      66.24937 
1 1 1 23  15  5  o 117.3689 44.70039 2.804743       4.532984  4.736235       4.484670  -12.83316      71.36475 
1 1 1 23  15  6  o 85.84105 38.48244 -2.523937      4.168792  2.791329       4.311329  -28.05318      63.40516 
1 1 1 23  15  7  o 125.6982 45.15244 3.981107       4.449722  5.080026       4.514294  -8.120720      72.73222 
1 1 1 23  15  8  o 81.15379 37.25990 -0.4070664     4.336928  -1.111050      4.213774  4.262207       61.59872 
1 1 1 23  15  9  o 100.6155 41.97826 2.535331       4.476573  1.280162       4.250691  8.781181       67.63200 
1 1 1 23  15  10 o 87.42655 38.89917 5.104995       4.367596  -4.274167      4.132815  52.66730       64.59634 
1 1 1 23  15  11 o 98.99442 41.15210 1.018590       4.192517  2.484384       4.142632  -8.734406      66.37457 
1 1 1 23  15  12 o 143.0123 44.99422 6.454441       4.476543  5.491862       4.427975  7.985107       74.65379 
1 1 1 23  15  13 o 164.4771 43.64540 11.08697       4.481019  4.349040       4.572825  61.46053       73.62823 
1 1 1 23  15  14 o 104.1311 46.62479 5.289384       6.198395  -3.047561      6.203424  32.55882       75.08076 
1 1 1 23  15  15 o 137.0098 53.89149 5.729218       6.830611  6.421772       6.601646  -3.276932      84.11568 
1 1 1 23  15  16 o 107.3388 47.64768 1.780005       4.477615  0.000000       0.000000  ?              ?        
1 1 1 23  15  17 o 154.6104 53.78861 5.458277       6.388573  10.84685       6.251387  -32.11896      84.99127 
1 1 1 23  15  18 o 127.7092 44.33721 2.117225       4.421710  7.306200       4.173501  -39.42389      70.50009 
1 1 1 23  15  19 o 75.45276 35.14230 -4.429588      3.907627  2.415867       4.116362  -32.91852      59.39167 
1 1 1 23  15  20 o 90.43911 39.03198 5.041262       4.152398  -2.059839      3.849757  42.96822       63.45338 
1 1 1 23  15  21 o 71.71243 33.84413 -3.514411      3.942674  0.4960130      3.922171  -16.18439      56.46264 
1 1 1 23  15  22 o 181.2224 38.59399 10.54473       4.191576  8.590879       4.219628  20.31461       73.47321 
1 1 1 23  15  23 o 86.65162 38.16625 2.275171       4.042041  -0.2088334E-01 3.934577  12.31319       61.03574 
1 1 1 23  15  24 f 73.74126 34.33873 -1.664736      3.838114  0.4568038      3.809827  -8.787460      56.01763 
1 1 1 23  15  25 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  16  6  o 166.7564 49.15720 7.065788       6.457357  9.630812       4.775736  -26.04759      81.68903 
1 1 1 23  16  7  o 90.42287 40.15126 -0.7077600     4.493200  1.777651       4.506905  -12.28583      65.19336 
1 1 1 23  16  8  o 127.6022 46.19157 2.834050       4.780832  6.603381       4.625479  -26.09464      73.68290 
1 1 1 23  16  9  o 104.1543 42.91808 0.8570321      4.416868  3.979620       4.542279  -19.08064      68.68091 
1 1 1 23  16  10 o 84.55518 38.25617 -0.4023122     4.301841  0.7330036E-01  4.297596  -2.224457      62.64259 
1 1 1 23  16  11 o 117.3477 44.25814 6.607936       4.490605  1.160786       4.303791  38.58650       70.59849 
1 1 1 23  16  12 o 88.46349 39.30503 1.228583       4.336054  -0.5435435     4.301986  9.248802       64.12068 
1 1 1 23  16  13 o 73.00716 34.94313 -3.551663      4.535559  -2.167732      4.458792  -4.263130      59.15605 
1 1 1 23  16  14 o 87.21981 39.11349 2.500547       4.519301  -2.015542      4.257180  24.22457       64.33284 
1 1 1 23  16  15 o 131.1737 57.75821 0.000000       0.000000  5.150290       6.452199  ?              ?        
1 1 1 23  16  16 o 115.0174 52.57016 2.033184       5.926080  0.000000       0.000000  ?              ?        
1 1 1 23  16  17 o 77.42713 37.02016 -1.836313      4.426268  -4.147565      5.938376  -4.290352      62.17801 
1 1 1 23  16  18 o 126.7170 50.98307 2.990348       6.414011  6.927905       5.901175  -18.49521      79.17610 
1 1 1 23  16  19 o 109.0681 45.22892 8.788743       6.536806  0.7999713      4.223170  44.87212       75.02898 
1 1 1 23  16  20 f 105.1996 42.24075 -1.489692      4.198263  7.659271       4.215590  -57.72678      66.12125 
1 1 1 23  16  21 o 74.86105 35.27533 -1.971069      4.364369  -0.6069102     4.129369  -3.438789      57.95686 
1 1 1 23  16  22 o 100.4149 41.56163 5.841876       4.379653  -0.3300926E-02 4.085512  34.62196       65.81444 
1 1 1 23  16  23 o 80.55650 37.11044 2.760152       4.452360  -2.392576      4.143776  23.25777       60.42185 
1 1 1 23  16  24 o 93.62724 40.38908 8.449472       4.516340  -2.871098      4.061840  61.41925       64.84624 
1 1 1 23  17  8  o 127.2022 46.73750 8.992623       5.008840  1.330895       4.685408  51.77792       74.03535 
1 1 1 23  17  9  o 75.49918 35.82613 -2.067203      4.649273  -2.274533      4.404034  2.892418       59.99710 
1 1 1 23  17  10 o 113.5620 44.96070 5.063196       4.831976  1.991049       4.578413  19.54962       71.57796 
1 1 1 23  17  11 o 88.38481 39.93103 -3.803366      4.663092  4.065541       4.665881  -36.06030      65.46321 
1 1 1 23  17  12 o 120.4300 45.95695 4.729130       4.756050  3.805486       4.787442  5.804878       72.90475 
1 1 1 23  17  13 o 91.04539 40.47311 -0.7437755     4.460445  2.309108       4.721512  -16.18889      65.57491 
1 1 1 23  17  14 o 84.01188 38.35231 -0.2485303     4.501106  -0.3075014     4.387148  1.094284       62.63352 
1 1 1 23  17  15 o 111.1278 48.47911 0.000000       0.000000  2.816383       4.452157  ?              ?        
1 1 1 23  17  16 o 87.18446 41.98357 -2.321713      6.000857  -3.863175      7.776882  -5.297691      68.99311 
1 1 1 23  17  17 o 88.17437 41.64109 -3.675989      5.787207  1.508030       6.174229  -17.90735      68.02722 
1 1 1 23  17  18 o 74.40201 35.51232 -0.8971626     4.529357  -3.416217      4.624530  7.938423       59.01495 
1 1 1 23  17  19 f 118.7692 51.46999 7.220963       7.898991  3.216866       6.350752  14.46237       79.18412 
1 1 1 23  17  20 o 116.7101 48.22302 8.108827       7.503827  3.148435       4.748250  21.04668       76.56105 
1 1 1 23  17  21 o 81.95261 38.03384 -1.679288      4.590505  1.109554       4.670571  -11.13773      61.53833 
1 1 1 23  17  22 o 143.9010 45.15334 10.57328       4.611951  3.994649       4.370817  49.19681       72.74458 
1 1 1 23  17  23 o 82.22188 37.72118 1.630038       4.446424  -0.7737265     4.295489  10.47752       60.29418 
1 1 1 23  18  9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  18  10 f 81.44514 37.84742 0.5690719E-01  4.602504  -1.939384      4.612822  7.931145       62.21792 
1 1 1 23  18  11 o 85.82918 39.13297 -0.4184983     4.606194  0.1454905      4.608173  -2.452583      63.67570 
1 1 1 23  18  12 o 107.6343 43.99828 8.348069       4.879353  -1.600977      4.465259  60.45526       70.09440 
1 1 1 23  18  13 o 77.64137 36.44092 2.194087       4.511141  -4.829855      4.388861  29.17748       61.15868 
1 1 1 23  18  14 o 88.88684 40.01633 1.470257       4.754465  -0.4778072     4.527812  10.07904       64.68658 
1 1 1 23  18  15 o 85.30428 40.91918 0.000000       0.000000  -2.410853      4.413688  ?              ?        
1 1 1 23  18  16 o 84.88961 39.17831 2.389993       4.742964  -3.176559      4.885250  21.05787       63.76265 
1 1 1 23  18  17 o 69.93793 33.97258 -6.789483      4.701203  -0.1194230     4.592048  -19.58572      57.70146 
1 1 1 23  18  18 o 86.97359 41.53818 -1.430353      6.020652  -1.813723      6.578766  -1.570419      67.05799 
1 1 1 23  18  19 o 117.6135 49.22430 5.328367       5.951718  4.087453       6.095183  5.238007       75.52411 
1 1 1 23  18  20 f 92.00962 44.12729 -3.560323      7.618533  1.203393       6.932577  -8.478348      69.80666 
1 1 1 23  18  21 o 140.8673 56.70876 9.920159       7.741117  9.231540       7.472435  1.581612       83.50322 
1 1 1 23  18  22 o 66.15417 32.29369 -3.722980      4.363583  -2.559300      4.324347  -3.080208      53.92431 
1 1 1 23  19  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  19  12 o 111.6054 44.85752 -1.048409      4.569114  8.982381       4.952593  -60.20983      70.85399 
1 1 1 23  19  13 o 107.1138 43.94197 2.361702       4.678504  3.827388       4.656543  -8.069183      69.22660 
1 1 1 23  19  14 o 106.2329 43.55034 2.527722       4.480047  3.623301       4.688276  -6.706329      68.67616 
1 1 1 23  19  15 o 174.4311 49.99535 13.10183       7.224227  9.164774       4.842183  6.139084       85.48438 
1 1 1 23  19  16 o 77.31279 36.76353 3.025460       4.858850  -6.360056      4.764387  33.34753       61.79269 
1 1 1 23  19  17 o 77.53895 36.71767 1.996402       4.735549  -4.769409      4.669388  24.33746       60.87286 
1 1 1 23  19  18 o 77.66130 36.89137 -2.856704      4.743101  0.8698468E-02  4.900222  -10.50320      60.43368 
1 1 1 23  19  19 o 112.3411 48.75890 3.115846       6.240252  5.638733       6.364119  -9.301056      74.29104 
1 1 1 23  19  20 o 88.11225 41.73135 -0.6586614     6.337491  0.1431143      5.849118  -0.4397202     65.96398 
1 1 1 23  19  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  20  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  20  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  20  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 23  20  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -8  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -8  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -8  8  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -7  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -7  4  o 87.19707 38.99223 -0.2215756     4.145809  2.921065       4.522491  -15.66187      61.99876 
1 1 1 24  -7  5  o 109.0219 43.25536 2.835045       4.255358  5.101540       4.470595  -13.35712      67.41903 
1 1 1 24  -7  6  o 63.83939 31.24777 -2.757155      4.131529  -4.230245      4.165291  4.104996       52.77320 
1 1 1 24  -7  7  o 79.51321 36.86581 0.4745827      4.257908  -1.102425      4.414215  5.297028       59.54368 
1 1 1 24  -7  8  o 233.3299 34.52767 14.85228       4.847960  15.47565       4.845737  -6.370407      76.05923 
1 1 1 24  -7  9  o 87.80199 39.04324 2.454836       4.342163  -0.1945088     4.202185  13.17683       62.29565 
1 1 1 24  -7  10 o 130.0005 45.77433 4.776347       4.491662  6.967684       4.683826  -14.37815      72.52309 
1 1 1 24  -7  11 o 90.07325 39.17155 2.321397       4.075089  0.6597269      4.092167  8.539520       62.23609 
1 1 1 24  -7  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -6  2  o 116.1682 53.89282 6.044022       6.563956  0.000000       0.000000  ?              ?        
1 1 1 24  -6  3  o 106.5452 43.55545 4.372551       4.458775  2.816685       4.680414  8.124779       67.54497 
1 1 1 24  -6  4  o 115.7977 44.12259 0.2213862      4.226398  9.507546       4.583538  -59.98029      68.88235 
1 1 1 24  -6  5  o 163.7745 44.78648 7.849445       4.538631  9.793847       4.835457  -13.35410      76.96411 
1 1 1 24  -6  6  o 115.6780 44.78592 5.223434       4.555563  3.442743       4.599303  10.77773       70.08884 
1 1 1 24  -6  7  o 83.13284 37.93291 -2.023579      4.226813  2.543225       4.462146  -21.42538      61.68972 
1 1 1 24  -6  8  o 95.92195 41.10371 5.484339       4.462994  -1.236363      4.278636  36.48234       65.55981 
1 1 1 24  -6  9  o 113.7111 43.62540 3.562403       4.248154  4.436660       4.385114  -5.780998      68.84264 
1 1 1 24  -6  10 o 77.82803 36.32260 -0.4979681     4.315428  -1.267292      4.318142  3.046196       59.46558 
1 1 1 24  -6  11 o 106.1269 42.65492 -1.987889      4.258953  8.506810       4.330468  -65.72890      66.55602 
1 1 1 24  -6  12 o 76.56793 35.90039 -1.156966      4.242723  -0.9921551     4.357336  -1.487946      58.90894 
1 1 1 24  -6  13 o 75.34589 35.18330 -1.927985      3.998914  0.1335379      4.122253  -9.501076      57.89017 
1 1 1 24  -6  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -5  1  o 69.52590 34.80045 -6.248258      5.959811  -8.556969      6.781927  -0.6073074     58.38885 
1 1 1 24  -5  2  o 108.2041 43.50990 0.3484291E-01  4.174837  8.708140       4.839038  -51.26511      68.86712 
1 1 1 24  -5  3  o 102.5065 42.63895 6.081593       4.353229  -0.6207855     4.614082  35.56872       66.60089 
1 1 1 24  -5  4  o 66.43813 32.36450 -2.484566      4.192514  -4.342778      4.413571  3.837814       54.62346 
1 1 1 24  -5  5  o 108.4984 43.50510 1.112614       4.305316  6.231187       4.623793  -30.93280      68.61508 
1 1 1 24  -5  6  o 79.16879 36.53176 -0.7101387     4.217526  -0.1190609     4.146813  -2.019249      59.47348 
1 1 1 24  -5  7  o 102.7748 42.36703 0.9921836      4.233975  4.815001       4.512030  -22.75061      67.08060 
1 1 1 24  -5  8  o 79.89577 36.83033 0.6573254      4.198819  -1.539617      4.272440  8.871857       60.06413 
1 1 1 24  -5  9  f 135.5012 45.24465 8.193068       4.456197  3.702944       4.470370  33.90157       72.50469 
1 1 1 24  -5  10 o 121.2494 44.44712 3.436805       4.295506  5.902929       4.453483  -17.02724      70.59782 
1 1 1 24  -5  11 o 218.7367 35.79163 11.31796       4.537786  15.18332       4.855635  -33.70192      75.23076 
1 1 1 24  -5  12 o 141.8796 44.65571 5.142336       4.387987  7.609464       4.381822  -19.99731      73.26374 
1 1 1 24  -5  13 o 98.86033 40.80529 1.787477       3.967332  2.870698       4.153666  -7.345718      64.93639 
1 1 1 24  -5  14 o 85.58482 37.93896 -1.501987      3.977172  2.954726       4.025249  -23.36011      61.40092 
1 1 1 24  -5  15 o 61.98800 30.31713 -2.826816      3.813342  -4.549831      3.953447  4.190521       51.92620 
1 1 1 24  -4  0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -4  1  o 88.95670 39.89792 -0.9707945     4.206079  4.047772       5.025908  -25.48333      64.42130 
1 1 1 24  -4  2  o 78.74271 36.81261 -5.055445      4.275307  4.352393       4.682977  -40.50288      61.86222 
1 1 1 24  -4  3  o 139.4520 46.30166 6.229276       4.593107  6.883631       4.762677  -4.064865      74.60748 
1 1 1 24  -4  4  o 99.21317 41.65375 -1.742777      4.146440  7.355902       4.547225  -53.55917      66.62482 
1 1 1 24  -4  5  o 143.1159 44.93734 7.520625       4.319677  5.583548       4.577452  16.57408       73.57659 
1 1 1 24  -4  6  o 312.7664 28.18957 24.55488       5.225647  24.90082       5.616645  4.935699       62.97094 
1 1 1 24  -4  7  o 90.28166 39.93583 2.516578       4.349286  -0.8274571     4.473767  15.58356       64.23330 
1 1 1 24  -4  8  o 151.0665 46.38803 6.181591       4.618622  8.389363       4.924125  -16.08388      76.96097 
1 1 1 24  -4  9  o 126.4666 44.57307 3.723212       4.265594  6.117711       4.435435  -17.73808      71.61413 
1 1 1 24  -4  10 o 167.2546 43.18007 6.276391       4.437768  10.53888       4.587197  -37.86887      75.45750 
1 1 1 24  -4  11 o 104.1571 43.01004 2.266039       4.393509  3.036628       4.636676  -5.293221      68.28963 
1 1 1 24  -4  12 o 74.42952 34.69238 -1.873244      3.744298  -0.1698188     4.118158  -10.74548      57.71364 
1 1 1 24  -4  13 o 123.3386 42.55197 5.598045       3.949604  3.600433       3.952266  15.99557       68.63728 
1 1 1 24  -4  14 o 100.4998 41.42637 2.330116       4.028156  2.418905       4.337507  -1.842972      65.94360 
1 1 1 24  -4  15 o 87.65540 38.37094 2.108464       3.894526  -0.3839537     4.058613  12.32562       61.79755 
1 1 1 24  -4  16 o 90.38998 39.09159 4.808841       4.092747  -1.961041      3.953109  38.83878       63.07432 
1 1 1 24  -4  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  -3  0  o 106.5496 42.78128 3.543676       4.081609  3.331722       4.593851  0.4987564      67.01588 
1 1 1 24  -3  1  o 102.2843 44.16940 3.172736       5.561325  2.242936       4.766825  6.202827       69.26649 
1 1 1 24  -3  2  o 220.8266 37.28666 17.31371       4.844165  9.870368       5.012060  74.83806       75.22033 
1 1 1 24  -3  3  o 132.7978 45.39904 6.588047       4.341205  4.828642       4.664971  13.58593       72.65014 
1 1 1 24  -3  4  f 123.4207 44.85778 3.045290       4.284054  6.851264       4.613378  -26.35316      71.43213 
1 1 1 24  -3  5  o 234.2640 34.50720 14.49518       4.733418  14.78250       5.007114  2.195435       74.99201 
1 1 1 24  -3  6  o 244.0932 34.36964 13.74912       4.850636  18.07473       5.299521  -34.27559      74.98776 
1 1 1 24  -3  7  o 105.3741 42.75548 4.196177       4.136393  0.7704889      4.624716  18.62481       67.81894 
1 1 1 24  -3  8  o 113.2724 43.65766 5.440946       4.255645  1.390827       4.419561  26.62830       69.28770 
1 1 1 24  -3  9  o 104.7386 42.70855 6.188057       4.231781  -1.633795      4.536417  46.13116       67.35293 
1 1 1 24  -3  10 o 293.4794 28.68305 21.01193       5.006498  21.84445       5.317999  -1.881989      63.21931 
1 1 1 24  -3  11 o 134.6583 45.06719 2.573346       4.271868  8.774531       4.602508  -48.62681      72.65366 
1 1 1 24  -3  12 o 84.92123 37.92249 5.114587       4.017688  -4.968894      4.131001  52.59583       62.22813 
1 1 1 24  -3  13 o 164.2297 42.38688 4.421594       4.317015  11.43170       4.378203  -64.80454      72.04295 
1 1 1 24  -3  14 o 171.2089 53.90022 10.54546       6.053092  9.959545       6.785321  7.979706       87.48161 
1 1 1 24  -3  15 o 137.9665 51.03075 7.142667       5.703012  5.861883       5.870904  7.522034       80.01995 
1 1 1 24  -3  16 f 124.2237 49.54791 5.735546       5.755697  4.070149       5.742079  8.515991       77.32372 
1 1 1 24  -3  17 o 90.48561 41.78050 2.369567       5.501067  -2.582656      5.463718  18.08805       67.58736 
1 1 1 24  -3  18 o 145.2573 59.44064 0.000000       0.000000  9.123781       6.020104  ?              ?        
1 1 1 24  -2  0  o 109.9043 43.59876 6.693502       4.429064  0.7119364      4.426610  36.08340       68.23019 
1 1 1 24  -2  1  o 94.42591 40.97910 1.637720       4.375767  1.682859       4.528034  -0.9221802     65.10756 
1 1 1 24  -2  2  o 116.3163 44.24706 5.125284       4.218183  2.970710       4.640775  13.54883       69.72657 
1 1 1 24  -2  3  o 84.90911 38.01014 1.278156       3.987940  -0.5232826     4.263514  6.910393       61.41579 
1 1 1 24  -2  4  o 154.3696 44.02382 6.668565       4.249332  7.892834       4.616233  -8.665680      75.12489 
1 1 1 24  -2  5  o 127.7595 44.58266 5.042225       4.172152  4.680430       4.536223  2.702072       71.96198 
1 1 1 24  -2  6  o 76.63401 35.75471 -2.160373      4.019269  -0.3458591     4.356779  -10.76130      59.68338 
1 1 1 24  -2  7  o 73.82546 34.80228 -3.924092      3.900979  0.9045622      4.421784  -25.02507      59.33360 
1 1 1 24  -2  8  o 272.6062 30.64482 18.65009       4.938915  18.92597       5.261351  3.147797       68.16267 
1 1 1 24  -2  9  o 360.7751 38.34195 0.000000       0.000000  35.08146       5.974715  ?              ?        
1 1 1 24  -2  10 o 61.74955 30.38336 -5.595444      3.855619  -3.541705      4.363975  -11.82984      53.32575 
1 1 1 24  -2  11 o 117.6853 43.69173 3.433417       4.039066  4.382719       4.493059  -7.852783      70.26202 
1 1 1 24  -2  12 o 84.99565 38.03035 -3.640309      3.884507  4.907271       4.398926  -49.92125      63.74027 
1 1 1 24  -2  13 o 138.5658 59.27729 0.000000       0.000000  6.526735       6.403760  ?              ?        
1 1 1 24  -2  14 o 110.9955 51.13940 1.104540       5.762764  0.000000       0.000000  ?              ?        
1 1 1 24  -2  15 o 92.76327 42.75713 -2.235864      5.646021  1.824712       5.767041  -15.35392      69.38709 
1 1 1 24  -2  16 o 178.9926 46.28212 8.468369       4.392816  13.06223       6.620673  -16.42769      83.79281 
1 1 1 24  -2  17 o 90.57536 39.75548 0.4358751      3.714336  1.981108       5.262755  -16.76533      65.35065 
1 1 1 24  -2  18 o 95.10378 42.82017 1.498474       5.247129  0.1835121      5.377929  4.680771       68.46136 
1 1 1 24  -2  19 o 108.5819 45.73900 -1.750117      5.146080  8.313235       5.364767  -50.92669      72.38670 
1 1 1 24  -1  0  o 85.33586 38.62861 1.577595       4.327802  -0.8913717     4.455690  10.18674       62.20179 
1 1 1 24  -1  1  o 167.7131 43.95578 6.917643       4.623973  10.40499       4.631107  -30.77937      76.44445 
1 1 1 24  -1  2  o 141.5952 45.71196 5.254848       4.452224  7.751858       4.700903  -18.39211      74.60416 
1 1 1 24  -1  3  o 130.7792 45.13905 5.384449       4.329130  5.224308       4.573183  1.451065       72.74540 
1 1 1 24  -1  4  o 90.53741 39.98204 1.182552       4.319338  0.2035924      4.491048  3.752998       64.67070 
1 1 1 24  -1  5  o 128.2126 44.60358 5.251520       4.238265  4.384754       4.460361  6.531868       72.09390 
1 1 1 24  -1  6  o 96.97942 40.96581 0.9258699      4.082330  2.533310       4.399601  -11.18437      65.98504 
1 1 1 24  -1  7  o 102.5923 41.56598 2.920674       3.886332  1.662963       4.387078  5.473175       66.54280 
1 1 1 24  -1  8  o 262.1167 29.74120 16.35159       4.521081  18.17318       5.018651  -9.087128      65.62554 
1 1 1 24  -1  9  o 271.9264 29.71276 24.18524       4.962590  12.83722       4.899072  102.3343       66.90826 
1 1 1 24  -1  10 o 366.5626 23.99034 37.10560       5.421031  26.94503       5.429177  67.39316       51.84884 
1 1 1 24  -1  11 o 95.59180 41.19224 0.7537328      4.278950  1.869885       4.605766  -8.089531      66.56280 
1 1 1 24  -1  12 o 105.2646 46.73777 -1.690932      5.692424  5.680530       6.600445  -33.84039      75.87630 
1 1 1 24  -1  13 o 95.37309 46.16207 0.000000       0.000000  -4.006494      5.925670  ?              ?        
1 1 1 24  -1  14 o 99.58804 47.70863 -2.706398      5.956607  0.000000       0.000000  ?              ?        
1 1 1 24  -1  15 o 263.1020 31.78407 22.57850       4.934538  11.84494       5.244399  104.1060       70.61656 
1 1 1 24  -1  16 o 182.3237 50.16397 11.34760       5.704930  9.604360       6.008657  15.45213       85.99738 
1 1 1 24  -1  17 o 248.4162 44.55444 22.37987       6.708631  14.01760       6.522299  66.27850       89.70914 
1 1 1 24  -1  18 o 101.7296 45.03615 2.298977       5.512342  0.8572350      5.733476  5.038200       71.54036 
1 1 1 24  -1  19 o 110.3523 44.27532 6.635109       5.827459  1.821024       3.942708  31.39992       72.48723 
1 1 1 24  -1  20 o 146.1465 50.98684 10.56508       5.817522  4.629347       5.551539  35.85664       80.61459 
1 1 1 24  0   0  o 85.52270 38.62181 -1.308340      4.237487  2.194211       4.490057  -17.62016      62.67702 
1 1 1 24  0   1  o 198.2609 40.33036 12.79181       4.794170  9.740472       4.787850  29.50995       77.98475 
1 1 1 24  0   2  o 119.1956 45.23191 9.750749       4.807549  -0.3379474     4.428185  67.41740       70.97189 
1 1 1 24  0   3  o 72.45885 34.57598 -2.616755      4.321398  -2.263063      4.343170  -1.504494      58.17445 
1 1 1 24  0   4  o 96.70400 41.28770 -0.8818300     4.349430  3.950253       4.407060  -27.40264      66.54382 
1 1 1 24  0   5  o 130.1115 44.18251 6.211588       4.228419  3.657252       4.283334  20.32555       71.64330 
1 1 1 24  0   6  o 115.8584 43.92989 4.970886       4.268613  2.221987       4.420798  18.55308       70.11836 
1 1 1 24  0   7  o 121.6714 44.29517 3.688171       4.267482  4.670147       4.398283  -7.457573      71.29849 
1 1 1 24  0   8  o 107.4706 42.48097 3.179628       4.114052  2.302777       4.269761  5.143700       68.12447 
1 1 1 24  0   9  o 131.4913 43.69440 6.368701       4.005716  3.249229       4.341852  25.53179       70.96565 
1 1 1 24  0   10 o 118.1256 43.69477 6.745652       4.104745  0.3248050      4.392919  45.80374       68.93115 
1 1 1 24  0   11 o 107.5053 46.17036 3.198520       5.269456  0.6099234      5.842965  9.460457       73.70477 
1 1 1 24  0   12 o 83.93311 39.88532 -1.581163      5.492272  -3.699215      5.809180  4.526413       66.43544 
1 1 1 24  0   13 o 79.30268 38.86815 -8.084599      6.436412  -3.451559      6.531057  -11.75250      66.16073 
1 1 1 24  0   14 o 82.38125 37.53993 -2.111878      4.005232  1.510153       4.502652  -21.48576      62.52479 
1 1 1 24  0   15 o 144.8808 50.87185 6.961005       5.728005  6.321756       5.594223  3.970505       81.50894 
1 1 1 24  0   16 o 100.5644 45.32482 5.759373       6.099494  -4.064028      5.844858  40.57831       73.94645 
1 1 1 24  0   17 o 125.0718 50.02478 7.669645       5.994843  1.766182       5.764802  31.04558       78.77520 
1 1 1 24  0   18 o 106.4293 45.92091 0.000000       0.000000  2.378005       3.905568  ?              ?        
1 1 1 24  0   19 o 87.35899 38.27874 -1.692933      3.801079  3.701118       4.148899  -32.50890      62.63905 
1 1 1 24  0   20 o 68.94395 32.74025 -0.1854884     3.655354  -3.997545      3.941388  12.71313       55.06287 
1 1 1 24  0   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  1   0  o 103.7173 43.25823 -1.228066      4.590930  6.636951       4.663749  -43.80991      68.53635 
1 1 1 24  1   1  o 73.37929 34.92881 -4.294030      4.299665  0.9298646E-01  4.433806  -17.49075      58.82891 
1 1 1 24  1   2  o 133.6139 45.71253 5.534198       4.521481  5.594458       4.593035  -0.3504486     73.78735 
1 1 1 24  1   3  o 93.02672 40.51913 1.899228       4.352038  0.1381508      4.416203  8.836952       65.41927 
1 1 1 24  1   4  o 198.5912 52.96217 12.57478       4.697991  0.000000       0.000000  ?              ?        
1 1 1 24  1   5  f 98.05323 41.65455 0.2940353      4.337173  3.011030       4.501847  -16.27080      67.13709 
1 1 1 24  1   6  f 112.3646 43.98417 1.780747       4.387561  4.729980       4.522253  -19.82864      70.36639 
1 1 1 24  1   7  o 105.3208 42.34189 -0.1111688     4.182099  5.199678       4.285053  -35.34703      67.85506 
1 1 1 24  1   8  o 85.42879 38.10485 -3.355191      3.990502  3.829266       4.218866  -40.80338      63.29122 
1 1 1 24  1   9  o 164.0203 43.22366 4.535402       4.284193  11.17458       4.656738  -60.27974      74.04219 
1 1 1 24  1   10 o 113.0155 48.05586 0.9006286      5.662164  4.360030       6.144724  -18.38972      76.98901 
1 1 1 24  1   11 f 186.1380 53.48201 12.39849       6.482625  9.277163       6.520981  22.34265       90.36286 
1 1 1 24  1   12 o 91.42532 42.24158 0.9351499E-01  5.446739  -2.208420      5.804489  6.163658       69.40414 
1 1 1 24  1   13 o 97.06765 42.17284 -0.3617504     5.370017  1.980646       4.266054  -4.426842      68.24757 
1 1 1 24  1   14 o 108.3005 46.29975 4.061164       5.451149  0.1995024      5.588272  17.92631       73.92024 
1 1 1 24  1   15 o 105.9852 46.15175 -0.3982334     5.610774  4.073877       5.760667  -20.79671      73.97005 
1 1 1 24  1   16 o 120.2236 48.93547 7.860711       5.756554  -0.1723847     5.709773  42.04415       77.32980 
1 1 1 24  1   17 o 134.8921 51.46662 5.595874       4.231112  0.000000       0.000000  ?              ?        
1 1 1 24  1   18 o 155.7489 42.22301 6.067927       4.052694  8.093364       4.321930  -17.75600      73.37919 
1 1 1 24  1   19 o 99.38637 40.46273 8.174988       4.135239  -2.609173      3.736345  75.80469       64.20129 
1 1 1 24  1   20 o 92.62407 39.16953 2.613761       3.949637  0.4915553      3.806584  13.72758       63.03312 
1 1 1 24  1   21 o 66.26121 31.76723 -4.613601      3.726932  -0.1567979     3.774796  -18.02985      54.20114 
1 1 1 24  2   0  o 148.2964 45.02896 6.137704       4.510684  7.619092       4.500265  -12.26935      74.90820 
1 1 1 24  2   1  o 109.4003 43.23794 1.557759       4.231283  4.997095       4.457227  -22.75569      68.86620 
1 1 1 24  2   2  o 121.8918 44.11185 2.259910       4.137614  6.843219       4.453914  -33.97529      70.65820 
1 1 1 24  2   3  o 213.5576 36.30048 9.290384       4.510295  15.19494       4.774885  -56.68314      73.57195 
1 1 1 24  2   4  o 107.5508 43.19409 6.559289       4.561026  -0.6820567     4.254780  48.18322       69.19431 
1 1 1 24  2   5  f 166.2827 44.17543 9.031807       4.613170  6.950561       4.654009  19.12202       77.08360 
1 1 1 24  2   6  o 99.66470 41.90141 7.951083       4.509808  -3.879742      4.287000  73.58826       67.07290 
1 1 1 24  2   7  o 142.3150 45.15890 4.850132       4.454041  6.869161       4.498261  -16.77142      74.69349 
1 1 1 24  2   8  o 116.4884 44.24527 0.8779659      4.368696  6.161787       4.452284  -37.43838      70.75510 
1 1 1 24  2   9  o 132.2162 44.92706 3.971697       4.475816  5.754123       4.328531  -14.00240      73.23888 
1 1 1 24  2   10 o 127.1392 51.37159 1.630818       6.402740  6.556747       6.135316  -24.11435      81.27279 
1 1 1 24  2   11 o 113.0572 48.15519 6.869213       6.063626  -1.796653      5.805782  42.80279       77.46259 
1 1 1 24  2   12 o 155.6676 53.54091 6.177102       6.103205  9.067125       6.415343  -17.89305      86.34618 
1 1 1 24  2   13 o 103.6124 45.47328 1.070024       5.600048  1.289019       5.627359  -1.140213      73.35804 
1 1 1 24  2   14 o 103.7184 45.81995 1.075473       5.722548  1.148737       5.854517  -1.028229      73.82071 
1 1 1 24  2   15 o 102.5419 45.21576 4.615734       5.587267  -2.312792      5.634756  30.45787       72.98026 
1 1 1 24  2   16 o 142.1142 42.67494 6.639356       4.107559  4.953072       4.019390  15.23604       71.76429 
1 1 1 24  2   17 o 97.39751 39.55836 1.529368       3.636594  2.338269       3.845772  -6.899460      63.86964 
1 1 1 24  2   18 f 203.3096 37.01405 9.282533       4.539612  12.63186       4.453978  -35.77028      73.90318 
1 1 1 24  2   19 o 80.80417 36.39759 -0.4505870     3.833437  0.2465985      3.851140  -3.743683      59.68585 
1 1 1 24  2   20 o 148.3771 41.54343 6.603675       3.904739  6.290376       4.048100  3.707077       71.38599 
1 1 1 24  2   21 o 77.04767 35.25599 1.056024       3.934981  -1.842837      3.648485  16.71753       58.41035 
1 1 1 24  2   22 o 74.56194 34.31578 -0.8407880E-01 3.763829  -1.137451      3.556135  6.936256       56.66832 
1 1 1 24  3   0  o 111.4012 43.84499 3.015483       4.407396  3.902921       4.485404  -5.765472      69.52996 
1 1 1 24  3   1  o 127.8754 46.06089 0.8891544      4.418333  10.14505       4.964229  -65.75770      72.98771 
1 1 1 24  3   2  o 106.0621 42.88506 2.108407       4.410867  3.347783       4.328823  -7.284760      68.32703 
1 1 1 24  3   3  o 216.6214 37.06444 15.47041       4.938343  9.761192       4.675623  53.79807       75.16952 
1 1 1 24  3   4  o 119.6254 43.90142 3.412077       4.221837  4.401393       4.314783  -7.556671      70.75004 
1 1 1 24  3   5  o 84.77760 37.97794 -1.803218      4.130560  1.712913       4.108860  -17.89980      62.43432 
1 1 1 24  3   6  o 114.8486 43.44314 1.169454       4.294897  5.552680       4.189110  -30.92599      69.37729 
1 1 1 24  3   7  o 96.17493 40.53378 0.3758083      4.160578  2.382500       4.096323  -11.72821      65.63498 
1 1 1 24  3   8  o 158.2564 43.20419 6.585709       4.497766  7.357641       4.233124  -8.159714      74.98326 
1 1 1 24  3   9  o 186.5938 41.07698 11.16003       4.794488  7.855866       4.473318  30.30203       76.75677 
1 1 1 24  3   10 o 106.5018 47.02720 -1.507622      6.186740  3.523479       5.996648  -20.30347      75.94753 
1 1 1 24  3   11 o 89.84693 42.14611 1.301705       6.256169  -4.825873      5.661415  25.80193       70.94351 
1 1 1 24  3   12 o 78.86578 36.63082 -0.9575166     4.240842  -2.097870      4.378515  3.698898       61.39273 
1 1 1 24  3   13 o 157.6342 52.00982 8.556335       5.676767  6.401093       6.156788  15.27751       84.63860 
1 1 1 24  3   14 o 100.9817 44.97927 -1.200721      5.629861  2.552678       5.756332  -16.90400      73.05663 
1 1 1 24  3   15 o 71.85867 34.80714 -8.389928      5.750157  -1.686151      4.188091  -5.631912      59.57417 
1 1 1 24  3   16 o 135.3023 43.50580 6.929076       4.076372  3.407223       4.214351  30.16430       71.17841 
1 1 1 24  3   17 o 85.03674 37.35231 1.404511       3.677517  -0.7298225     3.924260  10.00124       60.98179 
1 1 1 24  3   18 o 84.26936 37.10660 -0.4996533E-01 3.673776  0.7576311      3.866490  -6.280846      60.78513 
1 1 1 24  3   19 o 213.7242 32.48613 8.491710       4.033186  15.38753       4.325135  -69.57018      67.25698 
1 1 1 24  3   20 o 200.9818 34.08495 8.690136       4.063316  12.72563       4.133180  -42.99881      69.51776 
1 1 1 24  3   21 o 106.4543 41.07204 3.551941       3.823571  2.425269       3.856255  7.968330       65.66155 
1 1 1 24  3   22 f 102.0229 40.23407 3.473752       3.656649  1.796801       3.851681  10.89034       64.08917 
1 1 1 24  4   0  o 139.7937 45.29338 6.842180       4.479437  5.290385       4.491949  12.29161       74.04237 
1 1 1 24  4   1  o 132.0861 45.24713 2.026746       4.375229  8.799992       4.560221  -51.62840      72.15682 
1 1 1 24  4   2  o 193.1952 40.49121 13.18568       4.728637  7.793924       4.666222  51.79625       76.03332 
1 1 1 24  4   3  o 187.2095 41.07221 11.14724       4.663805  8.331676       4.613280  27.16322       76.89644 
1 1 1 24  4   4  o 148.8278 45.12148 5.042181       4.439229  7.936839       4.618851  -24.35323      75.45995 
1 1 1 24  4   5  o 93.20463 40.21875 3.158216       4.286111  -1.059949      4.190653  24.55571       65.40019 
1 1 1 24  4   6  o 286.2694 29.19402 18.81735       4.969109  21.56250       5.267444  -19.46988      63.68865 
1 1 1 24  4   7  o 131.0162 44.26673 2.618208       4.288501  6.912446       4.254744  -34.92046      71.67841 
1 1 1 24  4   8  o 165.7354 41.95255 6.168323       4.290322  8.930022       4.342851  -26.81392      74.34151 
1 1 1 24  4   9  o 133.0003 44.85697 5.191273       4.404381  4.577891       4.368201  5.020874       73.51436 
1 1 1 24  4   10 o 259.7838 43.82716 18.07726       6.821908  18.42183       6.801461  -3.210220      91.28450 
1 1 1 24  4   11 o 452.7477 30.91264 45.42036       8.455782  55.02365       8.814795  -47.41397      66.60506 
1 1 1 24  4   12 o 264.3776 32.10176 21.31223       5.128877  13.19559       5.185391  75.61716       70.37313 
1 1 1 24  4   13 o 122.1866 49.84943 -3.452510      5.617889  12.52609       6.387310  -90.31364      79.56176 
1 1 1 24  4   14 o 160.5033 52.33680 8.218994       5.771755  7.466039       6.221599  5.900894       85.61996 
1 1 1 24  4   15 o 91.97413 40.92654 1.387926       4.085098  -2.024019      5.717216  3.267334       67.02840 
1 1 1 24  4   16 o 195.5665 49.55376 11.40656       4.255274  0.000000       0.000000  ?              ?        
1 1 1 24  4   17 o 136.9798 42.25167 7.988442       3.942298  2.646426       3.951536  48.44344       68.95956 
1 1 1 24  4   18 o 117.7434 48.59042 0.000000       0.000000  3.479113       4.067070  ?              ?        
1 1 1 24  4   19 f 129.5081 42.50024 4.437284       3.814709  5.153134       4.085535  -6.248047      70.00283 
1 1 1 24  4   20 o 172.5969 38.27883 7.701580       3.936208  8.751235       4.048003  -10.07303      71.73677 
1 1 1 24  4   21 o 110.0590 41.34782 3.229048       3.736779  3.460794       3.924293  -2.235023      66.26426 
1 1 1 24  4   22 o 132.4655 42.17367 5.243224       3.858220  5.287257       3.945346  -0.1935959     69.60056 
1 1 1 24  4   23 o 104.8504 41.15118 4.796395       3.932400  1.210503       3.881817  24.63663       65.34842 
1 1 1 24  5   0  o 133.3265 46.15728 7.155740       4.604074  3.818561       4.698133  24.29041       73.96855 
1 1 1 24  5   1  o 99.05629 41.90824 0.6958626      4.310571  3.122345       4.582649  -15.01369      67.30500 
1 1 1 24  5   2  o 90.38194 39.79936 0.8846703      4.248299  0.5170550      4.423456  0.6733932      64.48003 
1 1 1 24  5   3  o 100.9810 41.92150 1.624428       4.197375  2.444891       4.446150  -6.300507      67.38710 
1 1 1 24  5   4  o 88.98621 39.35595 -1.867251      4.260766  2.579873       4.302063  -23.79617      64.50861 
1 1 1 24  5   5  o 126.6108 44.82955 3.044748       4.380124  5.955429       4.424669  -22.17731      72.38512 
1 1 1 24  5   6  o 90.33298 39.36427 0.5573178      4.196000  0.7574500      4.089174  -0.2653656     64.17515 
1 1 1 24  5   7  o 114.1892 43.84013 0.2575137      4.191555  6.708073       4.549884  -47.04783      70.36885 
1 1 1 24  5   8  o 92.52708 39.91063 1.111487       4.157881  0.5214675      4.181585  3.208549       65.09355 
1 1 1 24  5   9  o 99.12355 41.29009 -0.7462173     4.198944  3.910942       4.216516  -29.32481      66.86532 
1 1 1 24  5   10 o 162.3701 54.72982 6.766089       6.273942  9.738893       6.818906  -18.15453      88.90830 
1 1 1 24  5   11 o 309.1856 37.10488 17.60714       6.702209  32.40775       7.282922  -108.6944      81.77593 
1 1 1 24  5   12 o 147.7109 43.81486 7.814058       4.258990  4.188138       4.348485  32.82236       73.35357 
1 1 1 24  5   13 o 161.1503 52.85530 10.17057       6.174312  5.685522       6.026523  30.23775       86.11953 
1 1 1 24  5   14 o 103.6231 45.94377 3.250561       5.956388  -1.532450      5.787601  21.67300       74.67509 
1 1 1 24  5   15 o 82.44063 39.45012 -3.436102      4.048232  0.000000       0.000000  ?              ?        
1 1 1 24  5   16 o 116.6243 42.83104 0.2500629      3.916705  7.392040       4.227381  -56.68322      68.28992 
1 1 1 24  5   17 o 84.62611 37.71953 0.3103640      3.919789  -0.2198991     4.106478  1.185600       61.89563 
1 1 1 24  5   18 o 95.74088 39.87528 2.176538       3.913315  1.062217       3.933700  6.930977       64.34216 
1 1 1 24  5   19 o 258.7369 28.18142 15.46248       4.349996  17.54375       4.557454  -16.80379      61.48909 
1 1 1 24  5   20 o 75.04160 34.67635 -3.981020      3.655998  2.416409       3.933419  -34.34112      58.79532 
1 1 1 24  5   21 o 91.10743 38.69382 -0.2392479     3.659001  3.307002       3.981151  -23.69875      62.63070 
1 1 1 24  5   22 o 76.31725 34.88017 1.909350       3.638865  -3.005670      3.741056  23.70663       57.67625 
1 1 1 24  5   23 o 101.5903 40.23476 0.8241631      3.741450  4.586054       3.789263  -26.15175      63.99538 
1 1 1 24  6   0  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  6   1  o 95.44309 41.33501 2.442904       4.468450  0.1455390      4.549803  11.49099       66.44716 
1 1 1 24  6   2  o 169.5434 43.40223 10.21120       4.609326  6.468858       4.558304  34.24115       76.24528 
1 1 1 24  6   3  o 79.04543 36.66854 3.116445       4.266775  -5.574058      4.326632  38.35429       61.70966 
1 1 1 24  6   4  o 182.6262 41.23667 9.719229       4.553836  8.589695       4.567501  11.28339       76.67313 
1 1 1 24  6   5  o 172.7665 43.13095 6.542503       4.470485  10.41421       4.758590  -34.86633      76.73980 
1 1 1 24  6   6  o 136.0542 45.23834 8.883786       4.495553  1.798304       4.431002  56.82611       72.31335 
1 1 1 24  6   7  o 289.5258 28.85241 23.28639       5.198319  17.72723       5.031650  45.23486       63.06330 
1 1 1 24  6   8  o 144.8033 44.35802 9.136471       4.400457  2.747032       4.319661  55.66814       72.39207 
1 1 1 24  6   9  o 205.5724 36.65629 10.98122       4.490726  10.77959       4.515338  2.372787       73.94705 
1 1 1 24  6   10 o 91.15913 42.18235 0.5358765      5.606777  -3.282018      5.658686  14.22514       69.97867 
1 1 1 24  6   11 o 157.9874 52.02534 4.901429       5.731963  10.32146       6.098494  -37.25127      84.83209 
1 1 1 24  6   12 o 102.7198 41.97661 3.169145       4.157084  0.6052508      4.325318  15.37819       67.81884 
1 1 1 24  6   13 o 104.3963 45.88107 -0.9172552     5.574729  3.123854       5.905324  -20.27173      74.62654 
1 1 1 24  6   14 o 191.5902 51.47674 11.96664       6.542187  10.02538       5.989825  11.76585       89.80650 
1 1 1 24  6   15 o 125.7828 49.79768 4.105813       4.076901  0.000000       0.000000  ?              ?        
1 1 1 24  6   16 o 328.6634 24.07302 24.61469       4.880248  26.41649       4.867546  -13.34753      50.76241 
1 1 1 24  6   17 o 390.0877 22.28878 44.10875       5.671246  28.80432       5.113854  87.14481       46.94165 
1 1 1 24  6   18 o 204.2991 34.10267 11.47563       4.167992  10.11195       4.171248  14.93327       70.33866 
1 1 1 24  6   19 o 231.1286 30.54329 10.66523       4.145057  16.51938       4.411429  -56.91685      65.76149 
1 1 1 24  6   20 o 92.83123 39.35466 2.744623       3.871718  -0.1823181     3.989044  16.94203       63.51274 
1 1 1 24  6   21 o 81.61484 36.47472 1.109314       3.735985  -0.8402223     3.817237  9.684319       59.55659 
1 1 1 24  6   22 o 69.52398 32.87230 0.1447597      3.790718  -3.565554      3.694813  16.80396       55.49520 
1 1 1 24  6   23 o 92.55896 42.32689 0.000000       0.000000  0.3865454      3.848141  ?              ?        
1 1 1 24  6   24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  7   1  o 143.6416 46.09238 10.37456       4.815932  2.774803       4.504976  59.35384       74.25053 
1 1 1 24  7   2  o 100.0851 42.15384 1.050729       4.387695  2.709007       4.535858  -10.23199      67.71452 
1 1 1 24  7   3  f 155.5928 45.46649 9.523424       4.762479  5.072260       4.569118  37.13373       76.29433 
1 1 1 24  7   4  o 150.9368 45.56923 6.409199       4.557509  6.935905       4.692354  -4.106934      76.51780 
1 1 1 24  7   5  o 119.1735 44.90197 2.515435       4.489405  4.935269       4.552193  -17.07083      72.16612 
1 1 1 24  7   6  o 186.7610 40.68497 13.24928       4.638323  5.886064       4.523365  71.04187       73.57695 
1 1 1 24  7   7  o 222.7151 35.45068 12.88135       4.654621  12.61547       4.816898  4.826614       74.22318 
1 1 1 24  7   8  o 287.7519 28.06836 20.54894       4.905878  19.45448       4.988235  10.44495       60.66485 
1 1 1 24  7   9  o 132.9870 44.33148 5.931022       4.294914  3.814902       4.275611  17.59430       72.69212 
1 1 1 24  7   10 o 290.2243 39.83018 23.76584       7.103461  20.32457       6.866114  25.15404       87.24047 
1 1 1 24  7   11 o 168.5551 53.03307 9.297353       6.137015  7.880470       6.234018  10.09891       87.64800 
1 1 1 24  7   12 o 99.80317 43.16658 -0.6161211     4.241763  4.406219       6.021192  -37.40274      72.75320 
1 1 1 24  7   13 o 127.4240 50.95137 5.742606       6.047636  2.421661       6.142327  17.33611       81.08939 
1 1 1 24  7   14 o 147.4317 59.89598 0.000000       0.000000  6.682905       6.059545  ?              ?        
1 1 1 24  7   15 o 86.98254 39.75890 -1.620197      4.168054  0.8584648      5.828509  -23.89552      67.51970 
1 1 1 24  7   16 o 346.3445 23.88857 30.68792       5.090888  25.87840       5.110959  33.62381       50.51888 
1 1 1 24  7   17 o 257.1595 28.25190 15.50793       4.404158  16.83203       4.461699  -11.91243      61.42247 
1 1 1 24  7   18 o 108.1637 41.32965 0.9385057      3.735541  5.208821       4.003108  -33.16470      66.48519 
1 1 1 24  7   19 o 90.28487 38.14770 1.496695       3.648834  0.9145745      3.694337  3.374115       61.78755 
1 1 1 24  7   20 o 80.23827 36.29581 1.305036       3.814015  -2.042250      3.924475  16.15479       59.85373 
1 1 1 24  7   21 o 104.1684 40.66071 5.280985       3.856965  0.3564818      3.739694  35.96364       64.88042 
1 1 1 24  7   22 o 99.16953 40.19027 2.446427       3.833601  2.213006       3.861377  1.402657       64.15450 
1 1 1 24  7   23 o 138.8761 42.02961 4.595228       3.867336  7.181200       3.995242  -22.76912      70.05190 
1 1 1 24  7   24 o 158.2557 39.13489 10.03325       3.885044  4.807957       3.758267  51.79969       68.47972 
1 1 1 24  8   1  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  8   2  o 83.59274 38.21176 0.5649160      4.495057  -1.528933      4.367046  10.45104       62.90385 
1 1 1 24  8   3  o 146.3069 45.07939 6.767623       4.491728  5.872944       4.496992  7.541214       75.14140 
1 1 1 24  8   4  o 106.9680 43.09198 2.429350       4.447636  2.824654       4.341438  -1.983589      69.02717 
1 1 1 24  8   5  o 94.15227 40.84223 2.041739       4.488529  -0.1936580     4.347370  13.20554       66.47908 
1 1 1 24  8   6  o 115.6043 44.46803 5.235837       4.451375  1.380164       4.532549  25.86491       71.18829 
1 1 1 24  8   7  o 127.9490 45.38468 7.137635       4.627982  2.205009       4.407412  37.55595       73.09432 
1 1 1 24  8   8  o 179.8593 42.38285 10.53252       4.657512  7.289706       4.643744  31.14757       76.95034 
1 1 1 24  8   9  o 157.7790 45.35733 5.178301       4.644075  8.993821       4.706960  -33.26697      76.74572 
1 1 1 24  8   10 o 154.6529 53.50206 0.000000       0.000000  7.296400       4.417763  ?              ?        
1 1 1 24  8   11 o 145.8173 52.88085 7.945984       6.035236  4.498364       6.303699  20.62001       84.44208 
1 1 1 24  8   12 o 116.1188 48.54893 -1.415416      5.715267  7.222359       5.992640  -45.34297      78.01492 
1 1 1 24  8   13 o 96.84796 42.40236 0.9161323      4.238372  0.2935107      5.853228  -8.384621      69.83609 
1 1 1 24  8   14 o 165.3536 62.13457 0.000000       0.000000  9.386987       6.111745  ?              ?        
1 1 1 24  8   15 o 106.3440 44.47204 7.229364       5.762009  -0.8955188     4.349711  53.66864       74.00124 
1 1 1 24  8   16 o 210.6527 35.18127 13.17638       4.598696  9.883219       4.287983  31.00876       72.20099 
1 1 1 24  8   17 o 301.0495 25.60919 21.61099       4.759931  21.84239       4.714583  -2.462006      54.74272 
1 1 1 24  8   18 o 108.7707 41.77000 2.468904       4.010435  3.441744       3.908273  -6.611282      67.12280 
1 1 1 24  8   19 f 86.24520 37.58621 0.2454735      3.838572  0.9969853      3.717461  -3.374245      61.19393 
1 1 1 24  8   20 o 143.8660 41.45668 5.817112       3.926672  6.004977       3.876324  -1.957504      70.70460 
1 1 1 24  8   21 o 265.7243 26.98712 14.78486       4.291489  20.29349       4.488680  -48.35532      59.51973 
1 1 1 24  8   22 o 144.6015 41.90388 6.259812       3.987391  6.290915       3.963704  -0.4050140     71.09727 
1 1 1 24  8   23 o 135.2615 42.02861 4.064105       3.811579  7.201840       3.988655  -27.23935      69.43383 
1 1 1 24  8   24 o 144.9438 40.79328 7.974240       3.787725  4.719242       3.856816  31.25102       69.00529 
1 1 1 24  9   2  o 206.9217 39.83893 12.01323       5.116289  11.59727       4.759263  -0.5415649     79.13786 
1 1 1 24  9   3  o 84.51950 38.37149 -3.336378      4.370771  2.648201       4.370706  -28.43715      63.41692 
1 1 1 24  9   4  o 173.8944 44.73003 6.179008       4.713592  11.72167       5.004107  -47.67061      78.05671 
1 1 1 24  9   5  o 215.6891 39.57511 13.95851       4.971035  10.94125       5.239422  32.56241       79.14830 
1 1 1 24  9   6  o 112.2993 43.91911 1.778382       4.473127  4.208010       4.401540  -15.89085      70.50631 
1 1 1 24  9   7  o 174.1561 43.12970 9.045612       4.651143  7.860920       4.618578  11.05086       77.47013 
1 1 1 24  9   8  o 115.9052 43.92919 2.178098       4.286760  4.727099       4.398347  -18.51437      70.68871 
1 1 1 24  9   9  o 378.4012 24.51883 34.38675       5.761993  33.31276       5.687376  6.000092       51.50441 
1 1 1 24  9   10 o 149.3359 43.96394 4.999305       4.302743  7.562629       4.390214  -22.97728      74.27222 
1 1 1 24  9   11 o 127.6184 50.85222 1.412416       5.942618  7.263153       6.162737  -32.07519      80.94378 
1 1 1 24  9   12 o 245.7441 44.84095 13.17286       6.493622  20.17191       6.677783  -57.18193      89.38828 
1 1 1 24  9   13 o 185.0630 41.67168 8.966168       4.504998  9.658179       4.850853  -4.249313      77.68472 
1 1 1 24  9   14 o 175.5779 63.29558 0.000000       0.000000  10.96005       6.233884  ?              ?        
1 1 1 24  9   15 o 87.80794 41.38481 -1.755002      5.656173  -2.822473      6.052317  0.6959152      68.82703 
1 1 1 24  9   16 o 198.8762 37.92765 9.501965       4.455944  11.46921       4.562569  -19.26585      74.89558 
1 1 1 24  9   17 o 275.8101 28.01439 19.15556       4.753231  18.03809       4.700357  9.282135       60.96558 
1 1 1 24  9   18 o 275.8832 27.64276 15.12278       4.619007  22.30721       4.716553  -63.23640      61.33107 
1 1 1 24  9   19 o 240.9510 29.58774 14.67406       4.369625  14.33680       4.290768  2.194275       64.67116 
1 1 1 24  9   20 o 91.18424 39.08650 -0.8912249     3.898872  3.260915       4.007608  -25.40395      63.38741 
1 1 1 24  9   21 o 209.2544 33.58887 10.93886       4.111133  12.11223       4.321792  -9.452194      70.60035 
1 1 1 24  9   22 f 308.4399 24.12219 26.53266       4.689251  20.06095       4.475530  48.17471       52.40231 
1 1 1 24  9   23 o 76.03234 34.67819 -2.172812      3.578503  1.608327       3.667049  -19.88120      57.20393 
1 1 1 24  9   24 o 116.6083 41.29119 4.901376       3.669158  3.376765       3.804063  12.09750       66.11907 
1 1 1 24  10  3  o 88.52593 39.66314 -0.8410244     4.357875  1.394010       4.646488  -12.81132      64.82561 
1 1 1 24  10  4  o 102.9506 46.55380 0.6698700      4.495064  0.000000       0.000000  ?              ?        
1 1 1 24  10  5  o 124.0876 45.65200 3.284652       4.619810  5.437279       4.618783  -15.00282      73.16636 
1 1 1 24  10  6  o 96.19441 41.30114 2.207253       4.505581  0.2691546      4.350522  11.81378       66.95138 
1 1 1 24  10  7  o 150.2660 45.82772 8.430178       4.746679  4.691356       4.577625  31.22041       76.34629 
1 1 1 24  10  8  o 203.1283 38.96812 12.76842       4.858108  9.329190       4.614506  32.12077       76.54760 
1 1 1 24  10  9  o 103.4771 42.50851 0.9017293      4.364092  3.295491       4.387279  -14.93514      68.47402 
1 1 1 24  10  10 o 113.7214 44.31665 1.079918       4.620865  5.030154       4.396512  -25.16829      70.81408 
1 1 1 24  10  11 o 114.3314 44.58861 4.190105       4.552170  2.147194       4.573436  13.38898       71.59022 
1 1 1 24  10  12 o 122.4876 50.03115 -0.6622536     5.844524  8.530997       6.207739  -48.93524      79.81184 
1 1 1 24  10  13 o 197.3550 50.75497 9.444592       5.992163  14.18452       6.540527  -33.19221      89.62214 
1 1 1 24  10  14 o 93.78300 41.61545 -1.369416      4.212775  3.744913       5.820142  -35.60131      70.28737 
1 1 1 24  10  15 o 98.50137 44.34028 -0.7647934     6.022641  1.127364       5.409765  -3.985443      71.95415 
1 1 1 24  10  16 o 106.6296 44.57030 1.710533       6.037920  2.514052       4.266655  4.592720       72.09607 
1 1 1 24  10  17 o 116.5519 43.51461 0.9855293      4.151749  6.514983       4.302302  -40.82822      69.47430 
1 1 1 24  10  18 o 112.9154 42.59754 2.788197       4.085016  3.967316       4.057632  -8.485764      68.38311 
1 1 1 24  10  19 o 129.3094 43.11914 2.983155       4.009974  6.787831       4.099504  -31.81866      70.04066 
1 1 1 24  10  20 o 256.0643 28.36410 14.63098       4.411529  17.91188       4.448601  -31.29152      62.42185 
1 1 1 24  10  21 o 191.8317 36.62191 10.69376       4.279509  9.406234       4.122859  11.64859       72.77737 
1 1 1 24  10  22 o 78.28677 35.64206 -0.6077537     3.859197  0.1340223      3.751514  -2.738022      58.27951 
1 1 1 24  10  23 o 96.60673 39.71812 4.016042       3.906888  0.4895991      3.746197  23.21532       63.38858 
1 1 1 24  10  24 o 94.94805 39.01373 7.351593       3.759150  -2.610670      3.618530  67.35635       61.40659 
1 1 1 24  11  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  11  4  o 89.71184 39.86745 1.500235       4.359282  -0.7570813     4.537231  9.875633       64.82721 
1 1 1 24  11  5  o 144.8612 45.52251 7.566582       4.444344  4.665074       4.681967  24.16232       74.96014 
1 1 1 24  11  6  o 233.5956 34.69622 15.30791       4.837738  12.91775       4.913410  25.17192       74.15314 
1 1 1 24  11  7  o 142.7863 45.69296 3.797290       4.437072  8.331236       4.725954  -36.80367      75.05700 
1 1 1 24  11  8  o 131.0726 48.63541 11.55489       6.517705  1.603174       4.532260  66.74915       80.74049 
1 1 1 24  11  9  o 94.61856 40.96132 -0.3686990     4.395556  2.280842       4.452627  -14.91373      66.61080 
1 1 1 24  11  10 o 188.3269 40.80834 10.06964       4.730199  9.275470       4.534758  6.181427       77.17633 
1 1 1 24  11  11 o 215.2250 36.20053 10.26433       4.629282  13.86424       4.694821  -36.17998      74.11382 
1 1 1 24  11  12 o 98.61344 41.63458 -1.292910      4.454288  4.161599       4.285982  -30.74020      67.05985 
1 1 1 24  11  13 o 93.99099 43.44463 -2.597539      5.838507  0.9146095      6.068990  -14.20669      71.39159 
1 1 1 24  11  14 f 365.3950 34.46057 35.71957       7.650074  32.24010       7.789115  26.72742       77.55576 
1 1 1 24  11  15 o 137.3878 53.07438 11.76560       6.834515  1.091403       6.069133  57.84507       84.13624 
1 1 1 24  11  16 o 126.0993 51.27365 1.148914       6.466825  7.399891       6.119914  -29.55470      80.43508 
1 1 1 24  11  17 o 99.60084 41.50620 3.911724       4.393436  0.1135561      4.127857  24.48948       66.93591 
1 1 1 24  11  18 o 179.7206 40.02188 14.10411       4.401448  4.074177       4.295027  96.25638       68.92696 
1 1 1 24  11  19 o 88.47204 38.93664 -1.058057      4.136581  2.273698       4.147519  -17.85992      63.34791 
1 1 1 24  11  20 o 75.05174 35.13987 -2.799242      4.041475  -0.6825162E-01 4.149034  -12.64335      58.77184 
1 1 1 24  11  21 o 89.91697 38.95007 -3.534814      4.003294  5.856789       4.006804  -53.89795      62.82863 
1 1 1 24  11  22 o 121.4434 42.93979 5.506999       4.129335  3.647329       3.951977  14.13257       68.91355 
1 1 1 24  11  23 o 163.2267 40.96707 10.49992       4.325935  5.820366       3.977999  41.86134       72.37146 
1 1 1 24  11  24 o 79.63762 36.08457 0.8432233      3.918842  -0.4729487     3.770228  7.363159       58.47816 
1 1 1 24  12  4  o 116.4717 45.61848 9.399613       4.985555  -1.288168      4.620821  69.22472       71.99100 
1 1 1 24  12  5  o 126.1568 44.96470 4.772696       4.330833  4.381800       4.547947  2.629280       72.49961 
1 1 1 24  12  6  o 90.85566 40.15992 -1.573389      4.305717  2.941685       4.613968  -25.35038      65.78121 
1 1 1 24  12  7  o 133.3298 45.27240 6.340354       4.405730  3.999352       4.533295  18.14787       73.42783 
1 1 1 24  12  8  o 119.5698 44.50563 7.752717       4.315204  -0.4132579     4.517906  57.26390       69.68900 
1 1 1 24  12  9  o 115.0371 44.23012 4.967093       4.379450  1.596220       4.507510  22.45965       70.80796 
1 1 1 24  12  10 o 117.1854 44.62807 5.986223       4.404745  0.8808805      4.588703  34.28466       71.06351 
1 1 1 24  12  11 o 164.1936 43.71233 8.494374       4.357036  6.671068       4.727213  18.51680       76.16573 
1 1 1 24  12  12 o 171.3496 42.11674 5.834522       4.203909  11.19794       4.731592  -48.39832      75.02352 
1 1 1 24  12  13 o 104.0656 44.67245 4.559992       5.946745  0.5830122E-01  4.644089  28.87103       73.14461 
1 1 1 24  12  14 o 106.2975 46.63932 1.459990       5.876954  1.773489       5.926738  -1.574089      74.61693 
1 1 1 24  12  15 o 134.2121 45.46341 5.779790       4.338379  4.684323       4.694028  8.441910       73.92792 
1 1 1 24  12  16 o 127.4758 51.02449 5.516887       5.726025  3.721656       6.604222  7.477570       80.15286 
1 1 1 24  12  17 o 223.8668 48.65184 9.644676       6.333434  21.30519       6.819180  -86.30324      88.67291 
1 1 1 24  12  18 o 77.07267 35.98480 -2.736835      4.137084  0.6095130E-01  4.359469  -13.90993      60.19026 
1 1 1 24  12  19 o 154.0572 47.60344 6.299224       5.898304  7.978975       4.427309  -17.18762      78.55388 
1 1 1 24  12  20 o 97.01508 42.02042 1.724610       5.498174  1.413508       4.116743  8.537857       67.87267 
1 1 1 24  12  21 o 81.13988 36.64631 1.008810       3.818285  -0.9901467     4.041238  8.103752       59.60426 
1 1 1 24  12  22 o 78.69119 35.93313 -0.8376110     3.733719  0.5090870      4.099076  -9.138794      58.83449 
1 1 1 24  12  23 o 100.3983 40.65557 2.408484       3.778278  2.934958       4.109355  -4.414215      64.46950 
1 1 1 24  12  24 o 127.7690 42.22116 3.256710       3.821053  7.418135       3.960899  -33.69865      68.00667 
1 1 1 24  13  5  o 130.2493 45.75418 4.863798       4.716068  5.180360       4.452820  -2.228767      73.79855 
1 1 1 24  13  6  o 101.5178 41.85109 -1.471489      4.299859  5.605731       4.223138  -43.31877      66.75551 
1 1 1 24  13  7  o 81.29265 37.31293 -3.625710      4.230055  2.218816       4.335879  -28.06421      62.23455 
1 1 1 24  13  8  o 104.8789 42.73368 3.953292       4.361839  0.9181980      4.393052  18.54322       68.37124 
1 1 1 24  13  9  o 97.65417 41.56553 2.809856       4.301838  0.6546737E-01  4.533476  13.90028       66.88780 
1 1 1 24  13  10 o 120.3154 45.61895 4.759132       4.712448  3.045054       4.654132  11.64119       73.09026 
1 1 1 24  13  11 o 105.7251 43.29184 6.091053       4.502343  -1.490726      4.537422  46.27145       69.10310 
1 1 1 24  13  12 o 95.59132 40.90027 -4.707670      4.045141  9.065735       4.641841  -89.31348      66.47841 
1 1 1 24  13  13 o 158.1355 44.39516 13.49026       4.608605  1.367185       4.459860  104.4309       69.26886 
1 1 1 24  13  14 o 113.9825 48.62582 5.827707       5.966313  -0.4754302     6.166248  27.72462       77.08485 
1 1 1 24  13  15 o 93.89146 43.75610 0.4836852      6.172084  -2.635361      6.285771  9.673981       71.41431 
1 1 1 24  13  16 o 108.9259 45.63200 3.758355       4.318077  -0.4314649     6.929582  7.983757       72.75689 
1 1 1 24  13  17 o 113.9462 48.28474 2.591890       5.869529  3.452675       5.951511  -4.220337      76.32009 
1 1 1 24  13  18 o 244.7078 45.35649 17.93256       6.693588  16.85641       6.571155  7.096146       92.10340 
1 1 1 24  13  19 o 106.8522 42.05075 2.065179       4.050727  3.834643       4.128649  -12.18095      67.14510 
1 1 1 24  13  20 o 119.2059 42.75812 5.677602       4.023248  2.835804       4.011459  21.60339       68.38895 
1 1 1 24  13  21 o 78.84473 36.27990 -0.1543428     3.878715  -0.7869572     4.324012  -0.5591888     59.29090 
1 1 1 24  13  22 o 103.9339 41.01139 4.229502       3.781394  1.567429       4.027646  16.99306       64.81846 
1 1 1 24  13  23 o 99.29025 40.02855 1.054429       3.706241  4.396603       3.888625  -22.35712      63.48206 
1 1 1 24  13  24 o 86.09766 37.89753 1.613518       3.851951  0.6153919      4.003036  4.297569       60.38078 
1 1 1 24  14  6  o 71.81024 34.39788 -3.568102      4.368044  -1.990423      4.385252  -5.877480      58.23270 
1 1 1 24  14  7  o 88.02991 39.20837 -3.665840      4.301209  4.437891       4.348398  -41.92966      64.36603 
1 1 1 24  14  8  o 143.7450 44.92927 4.774375       4.402002  7.526568       4.492413  -22.81445      74.34240 
1 1 1 24  14  9  o 85.39249 38.42273 -0.1980459     4.352176  0.1422999      4.189629  -0.3756790     62.85511 
1 1 1 24  14  10 o 163.0688 43.68951 1.461190       4.416371  14.59799       4.606185  -114.0659      67.98055 
1 1 1 24  14  11 o 98.51497 41.40237 3.806900       4.463911  -0.1639339E-01 4.130630  24.55369       66.90835 
1 1 1 24  14  12 o 208.3258 37.22130 10.10781       4.567999  13.03528       4.701959  -28.37395      75.18411 
1 1 1 24  14  13 o 114.6332 44.43671 4.158625       4.554787  2.702732       4.467278  9.898598       71.10819 
1 1 1 24  14  14 o 133.7947 45.19094 6.022045       4.489213  4.492877       4.415191  11.97147       73.59454 
1 1 1 24  14  15 o 138.9704 54.23989 5.494427       7.077158  6.950220       6.474966  -6.961105      84.68993 
1 1 1 24  14  16 o 88.11954 43.20883 -5.953287      5.684981  0.000000       0.000000  ?              ?        
1 1 1 24  14  17 o 205.1373 38.85329 13.24267       4.706522  9.748066       4.821891  36.29713       76.73494 
1 1 1 24  14  18 o 152.0919 52.38570 1.742559       5.875462  14.60810       6.105552  -79.30218      81.35795 
1 1 1 24  14  19 o 109.2072 47.15871 0.7490384E-01  5.988159  5.468246       5.692285  -22.10414      73.88087 
1 1 1 24  14  20 o 137.2290 43.37830 4.915320       4.155768  6.866168       4.111529  -16.46051      71.21049 
1 1 1 24  14  21 o 82.34741 37.05392 -3.330038      3.917852  4.139618       4.024847  -38.42465      60.76509 
1 1 1 24  14  22 o 86.99072 38.19221 3.503587       4.126582  -1.035232      3.817679  25.83875       61.69929 
1 1 1 24  14  23 o 125.9606 43.52513 7.392968       4.224106  3.325459       4.050050  30.03806       69.35110 
1 1 1 24  14  24 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  15  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  15  8  o 171.0025 42.83666 9.505036       4.534133  7.455654       4.533636  19.22815       76.38638 
1 1 1 24  15  9  o 80.76698 37.08307 0.6753144      4.380057  -1.908679      4.101362  14.14456       61.43701 
1 1 1 24  15  10 o 105.7651 42.58943 7.415864       4.505784  -1.294047      4.102044  58.68157       68.11523 
1 1 1 24  15  11 o 111.9132 43.10431 2.149177       4.356038  4.415985       4.103332  -14.62554      68.69634 
1 1 1 24  15  12 o 117.9921 43.85686 4.423361       4.498889  3.573106       4.094576  6.798561       70.33379 
1 1 1 24  15  13 o 79.73655 36.80180 -4.382558      4.255435  2.677104       4.238843  -31.69397      61.35036 
1 1 1 24  15  14 o 119.8045 44.54751 5.440971       4.569474  3.014367       4.282884  17.34303       71.28252 
1 1 1 24  15  15 o 81.19204 38.53517 -0.3501710     6.996901  -2.811351      4.363833  24.86914       66.38891 
1 1 1 24  15  16 o 122.9135 54.69411 4.283034       5.936232  0.000000       0.000000  ?              ?        
1 1 1 24  15  17 o 141.6283 53.23278 4.137957       6.117835  10.69404       6.599492  -33.52995      83.08575 
1 1 1 24  15  18 o 133.9286 46.04715 7.088350       4.583911  4.414318       4.667849  19.43660       73.72731 
1 1 1 24  15  19 o 103.5768 46.33350 -0.7619188     6.250566  4.652987       5.975472  -18.94746      72.73178 
1 1 1 24  15  20 o 98.33083 43.48010 4.566166       6.508432  0.4374037      4.485329  23.47408       70.57024 
1 1 1 24  15  21 o 93.85381 39.92564 -1.150249      4.138463  4.688719       4.000642  -32.13455      63.37012 
1 1 1 24  15  22 o 82.79490 37.19759 1.617949       4.095369  -0.3941934     3.880811  10.95869       59.90105 
1 1 1 24  15  23 o 84.41576 37.66623 0.3401087      3.969220  1.458650       4.051558  -5.825089      60.11900 
1 1 1 24  16  9  f 79.86840 36.86420 -4.041033      4.228802  2.536822       4.296344  -30.04993      61.41985 
1 1 1 24  16  10 o 114.9407 48.51662 0.000000       0.000000  3.416108       4.192244  ?              ?        
1 1 1 24  16  11 o 87.56870 38.79632 0.3641424      4.305933  0.6703609      4.060854  0.1922302      62.95892 
1 1 1 24  16  12 o 84.18250 37.87784 -0.9011375     4.109174  1.066056       4.188421  -10.27715      61.87805 
1 1 1 24  16  13 o 87.60606 39.07468 -1.925249      4.239384  2.983648       4.386149  -25.38470      63.73309 
1 1 1 24  16  14 f 127.5632 45.68190 3.811509       4.477915  6.358600       4.696996  -17.88689      73.08343 
1 1 1 24  16  15 o 86.13531 40.46540 0.000000       0.000000  -1.200657      3.894670  ?              ?        
1 1 1 24  16  16 o 87.33227 39.96260 -0.8673084     4.234957  1.567942       5.885756  -19.06261      66.05824 
1 1 1 24  16  17 o 83.55543 39.00501 1.177851       6.197088  -1.833870      4.282954  21.92678       65.37231 
1 1 1 24  16  18 o 133.0598 51.28679 4.992186       5.862345  7.784030       6.111556  -14.01558      79.50672 
1 1 1 24  16  19 o 77.86604 37.13317 -1.189718      4.245935  -3.736187      6.305198  -5.716507      61.67703 
1 1 1 24  16  20 o 126.6645 50.92734 5.971544       6.486818  5.831740       5.815476  0.8816528E-01  78.07349 
1 1 1 24  16  21 o 98.98619 44.71845 3.317468       6.028911  0.6633139      5.684624  10.26903       69.93811 
1 1 1 24  16  22 o 68.98242 33.04234 1.565015       4.194567  -4.998940      3.897411  26.39043       55.99498 
1 1 1 24  17  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  17  11 o 90.77190 40.33677 0.8044664      4.665559  0.7339499      4.443299  1.673882       64.97924 
1 1 1 24  17  12 o 103.4987 43.08352 1.440192       4.619051  3.566489       4.535485  -11.46422      68.32815 
1 1 1 24  17  13 o 95.73931 41.15401 1.720245       4.473525  1.536761       4.338125  1.672104       65.76340 
1 1 1 24  17  14 o 206.5309 38.52285 9.100264       4.608114  15.11679       4.914391  -55.00218      76.06671 
1 1 1 24  17  15 o 133.1826 52.31614 0.000000       0.000000  6.263621       4.468304  ?              ?        
1 1 1 24  17  16 o 101.2902 44.27023 1.856486       4.676099  2.362916       6.174422  -7.477402      70.45329 
1 1 1 24  17  17 o 140.5352 45.92617 9.547876       4.743973  3.681413       4.480578  43.51350       73.96188 
1 1 1 24  17  18 o 81.31416 37.82438 0.2005604      4.738501  -1.376876      4.509946  7.562408       61.62188 
1 1 1 24  17  19 o 125.2656 51.99196 6.768244       6.486257  5.110573       6.799336  6.821655       78.88667 
1 1 1 24  17  20 o 88.04607 41.59362 0.9060474E-01  5.754582  -1.173162      6.203533  1.767601       66.28229 
1 1 1 24  17  21 o 111.3161 49.63931 5.564008       7.587835  3.253347       6.455097  7.679535       75.44879 
1 1 1 24  18  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 24  18  14 o 163.6922 45.68039 12.71440       5.038070  5.017715       4.617305  60.55827       76.49807 
1 1 1 24  18  15 o 100.3099 43.91359 -1.032247      6.354170  3.652522       4.516154  -12.24472      68.88311 
1 1 1 24  18  16 o 96.64420 42.31310 -1.080231      4.762225  4.872102       4.909966  -28.25580      67.32838 
1 1 1 24  18  17 o 106.4165 43.94183 3.398361       4.847660  3.117014       4.578920  2.043640       68.79311 
1 1 1 24  18  18 o 80.04849 37.37555 -5.939881      4.665003  4.293549       4.497518  -38.63707      61.73972 
1 1 1 24  18  19 o 86.90192 39.37300 1.551689       4.741548  -0.9978878E-02 4.422200  8.104492       62.87717 
1 1 1 24  18  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  -5  5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  -5  6  o 89.95982 42.74510 3.685011       6.495643  -4.600461      6.463128  21.86433       68.34188 
1 1 1 25  -5  7  o 93.52390 40.88675 0.7629918      4.429622  2.886772       4.572532  -10.62218      64.57201 
1 1 1 25  -5  8  o 80.51845 37.27825 -1.547809      4.308780  1.098012       4.513637  -11.84888      60.48354 
1 1 1 25  -5  9  o 125.3882 45.15067 4.315744       4.343599  6.448081       4.639934  -13.84606      71.46072 
1 1 1 25  -5  10 o 78.37963 36.18244 2.280710       4.001160  -3.298162      4.224318  22.39833       59.05595 
1 1 1 25  -5  11 o 99.08072 41.30011 1.770073       4.067539  3.361319       4.377246  -9.974876      65.25900 
1 1 1 25  -5  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  -4  4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  -4  5  o 115.0958 44.11635 3.159637       4.153756  5.866285       4.720251  -16.80582      69.49780 
1 1 1 25  -4  6  o 77.28477 36.17710 -1.303402      4.157017  -0.3328175     4.538682  -6.351860      59.15685 
1 1 1 25  -4  7  o 75.99122 35.75267 -0.7846187     4.154252  -1.648703      4.524787  0.5765991      58.65877 
1 1 1 25  -4  8  o 97.19131 41.34310 3.604755       4.294935  0.5633215      4.430925  15.60691       65.36765 
1 1 1 25  -4  9  o 87.77410 39.22564 -1.366222      4.242547  3.180154       4.501970  -22.90193      63.37051 
1 1 1 25  -4  10 o 104.3088 42.94049 7.338330       4.508223  -1.388881      4.446939  50.45318       67.63926 
1 1 1 25  -4  11 o 94.49940 40.92667 1.414503       4.271310  2.016787       4.585414  -4.461685      65.07070 
1 1 1 25  -4  12 o 79.56434 36.53006 0.2319644      3.961221  -0.8839940     4.272836  2.673805       59.44682 
1 1 1 25  -4  13 o 217.9449 52.20401 0.000000       0.000000  16.30700       4.924847  ?              ?        
1 1 1 25  -4  14 o 80.57300 38.65503 -1.091519      5.443389  -3.584799      5.715756  5.526245       63.34887 
1 1 1 25  -3  3  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  -3  4  o 74.24654 35.01206 -2.482202      3.984745  0.2630795      4.438058  -13.89493      57.97985 
1 1 1 25  -3  5  o 96.37105 41.12186 1.501846       4.117529  2.783790       4.599126  -8.610161      65.23100 
1 1 1 25  -3  6  o 106.2974 43.31113 1.711187       4.261280  4.946388       4.775291  -19.75592      68.57669 
1 1 1 25  -3  7  o 85.36713 40.82934 -1.978140      4.324095  0.000000       0.000000  ?              ?        
1 1 1 25  -3  8  o 72.34746 34.34842 -1.076646      4.061740  -2.698363      4.280813  4.273895       57.15651 
1 1 1 25  -3  9  o 74.45668 35.14175 -1.352448      4.101429  -1.786374      4.396051  -0.7263107     58.23144 
1 1 1 25  -3  10 o 86.14483 38.69927 -5.057124      4.081731  7.358647       4.583506  -66.75352      64.67789 
1 1 1 25  -3  11 o 79.50351 36.84499 -2.414826      4.167133  1.237140       4.495163  -17.82384      60.83329 
1 1 1 25  -3  12 f 67.08063 32.45699 -1.822542      4.216394  -4.201451      4.056126  9.648506       55.17628 
1 1 1 25  -3  13 o 100.2562 43.72418 0.4188666      6.100859  2.804578       4.496203  -3.948746      69.22015 
1 1 1 25  -3  14 o 106.1902 45.63430 2.786259       3.827362  0.000000       0.000000  ?              ?        
1 1 1 25  -3  15 o 146.8791 42.15328 6.896452       4.003723  6.316430       4.079834  5.745697       71.58478 
1 1 1 25  -3  16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  -2  3  o 67.91253 32.80891 -1.389244      4.068197  -4.201322      4.309647  7.314278       55.06179 
1 1 1 25  -2  4  o 122.3091 44.23956 9.121711       4.207540  0.3730649E-01  4.422860  63.77622       68.04575 
1 1 1 25  -2  5  o 86.94336 38.72592 2.018041       4.092453  -0.7822928     4.358629  11.91228       62.25245 
1 1 1 25  -2  6  o 140.2196 45.02155 6.154530       4.286919  6.427943       4.607444  -0.9644470     73.67722 
1 1 1 25  -2  7  o 156.2110 44.80575 7.598964       4.465186  7.737531       4.676290  0.2367706      75.98727 
1 1 1 25  -2  8  o 161.6641 44.93478 9.814815       4.565632  6.366357       4.777928  30.75186       76.22687 
1 1 1 25  -2  9  o 155.8904 44.89152 8.452042       4.431534  6.624629       4.735460  17.26202       75.71206 
1 1 1 25  -2  10 o 256.6506 32.42409 14.89382       4.811091  20.18943       5.321645  -40.73241      72.25354 
1 1 1 25  -2  11 o 134.4274 45.22133 5.417513       4.406552  6.014943       4.510880  -4.312119      73.18372 
1 1 1 25  -2  12 o 134.0258 44.72567 5.572652       4.168696  5.686029       4.583952  -0.7919312E-02 72.64082 
1 1 1 25  -2  13 o 130.8196 51.75728 0.000000       0.000000  5.870372       4.401364  ?              ?        
1 1 1 25  -2  14 o 150.5387 48.65386 9.473804       4.399054  3.016081       6.605149  46.13952       76.09712 
1 1 1 25  -2  15 o 83.48605 37.61453 -0.9534994     4.063685  1.362574       4.150200  -11.83144      61.19463 
1 1 1 25  -2  16 o 120.6487 43.30322 5.950734       4.092585  2.933950       4.150312  22.35560       69.00779 
1 1 1 25  -2  17 o 122.8675 54.18431 0.000000       0.000000  5.112669       5.698957  ?              ?        
1 1 1 25  -1  2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  -1  3  o 109.2253 43.13628 6.154611       4.168680  0.4547473      4.481264  34.60410       67.40948 
1 1 1 25  -1  4  o 110.6452 43.78763 6.263120       4.467760  0.8372985      4.444904  33.47272       68.95847 
1 1 1 25  -1  5  o 112.0560 43.44451 4.096272       4.229303  3.137254       4.399193  5.891060       68.78957 
1 1 1 25  -1  6  o 110.5715 43.14437 3.489785       4.188549  3.456404       4.364348  -0.1774368     68.39824 
1 1 1 25  -1  7  o 112.7498 43.66429 2.410372       4.122120  5.223208       4.624663  -19.27776      69.57782 
1 1 1 25  -1  8  o 82.69626 37.49657 1.013723       4.039284  -1.282853      4.287207  8.925705       61.09968 
1 1 1 25  -1  9  o 141.0461 44.82810 8.292295       4.279898  3.697163       4.550869  37.67180       72.59850 
1 1 1 25  -1  10 o 155.3138 43.53880 8.254603       4.191306  6.025199       4.556819  21.85698       74.13942 
1 1 1 25  -1  11 o 131.0510 44.49954 4.391042       4.209521  6.161545       4.432930  -13.54542      72.16751 
1 1 1 25  -1  12 o 116.8884 49.28051 3.793574       4.317054  0.000000       0.000000  ?              ?        
1 1 1 25  -1  13 o 85.53738 40.75328 0.000000       0.000000  -2.122121      4.221511  ?              ?        
1 1 1 25  -1  14 o 96.64259 41.18225 1.360477       4.085080  2.297490       4.651497  -7.956276      65.99665 
1 1 1 25  -1  15 o 102.9516 41.52081 2.857613       4.044240  2.362124       4.125079  2.832642       66.14433 
1 1 1 25  -1  16 o 104.0845 43.87955 3.284049       5.904898  2.094611       4.199518  11.88442       70.51229 
1 1 1 25  -1  17 o 178.7020 52.86763 13.67840       6.369110  8.766113       6.178400  31.28601       87.29095 
1 1 1 25  -1  18 o 120.8542 48.21930 5.871430       5.314155  3.336901       5.589087  13.03163       75.09328 
1 1 1 25  0   2  o 196.1353 40.97524 14.30576       4.891415  8.542784       4.759964  52.46034       77.31455 
1 1 1 25  0   3  o 89.38624 39.76728 2.623167       4.480280  -0.8371251     4.392728  16.90677       63.97420 
1 1 1 25  0   4  o 103.7623 42.48376 4.468772       4.361523  0.9447277      4.342670  20.93345       67.36858 
1 1 1 25  0   5  o 204.9412 39.46334 11.85899       4.836696  11.89347       4.833177  -0.3924561     78.59151 
1 1 1 25  0   6  o 106.0039 42.67415 -1.832191      4.061805  8.987916       4.599237  -71.89134      67.86848 
1 1 1 25  0   7  f 83.07404 37.75909 2.992057       4.204916  -3.469176      4.291472  29.72574       62.04395 
1 1 1 25  0   8  o 97.80059 41.15118 2.109065       4.220490  1.537967       4.267226  3.051231       65.94154 
1 1 1 25  0   9  o 142.9537 44.24207 6.074088       4.203635  6.113665       4.453758  0.3182068      73.64748 
1 1 1 25  0   10 o 144.9891 43.69147 4.101315       3.981745  8.987293       4.588856  -41.11063      73.17455 
1 1 1 25  0   11 o 167.8237 42.76286 6.551358       4.241028  10.08588       4.726108  -29.83786      75.90521 
1 1 1 25  0   12 o 119.0465 44.17662 4.062669       4.210802  3.942051       4.485953  0.2969589      70.79393 
1 1 1 25  0   13 o 90.21677 41.16111 -4.152197      6.041311  2.149604       4.506042  -14.30744      66.55156 
1 1 1 25  0   14 o 137.5394 44.61028 5.402407       4.216962  6.171301       4.498078  -5.631836      73.21028 
1 1 1 25  0   15 o 92.34238 43.00252 3.502494       5.813463  -5.172801      6.201121  26.68761       69.84695 
1 1 1 25  0   16 o 129.6364 51.55931 2.909152       5.985824  8.636490       6.456197  -28.19338      80.51456 
1 1 1 25  0   17 o 98.76020 44.64893 -1.175576      5.715624  3.321258       5.980433  -18.11620      71.48531 
1 1 1 25  0   18 o 103.7984 43.67411 1.476600       4.094002  4.857255       5.989362  -22.83708      70.97036 
1 1 1 25  0   19 f 97.71944 44.42418 0.9753683      4.159805  0.000000       0.000000  ?              ?        
1 1 1 25  1   2  o 82.91782 38.00201 1.281640       4.430853  -1.621432      4.407578  12.59242       61.82508 
1 1 1 25  1   3  o 82.58967 37.98326 -2.253045      4.456007  1.480515       4.479164  -16.01306      62.12200 
1 1 1 25  1   4  o 108.7340 43.98299 1.985548       4.560281  4.316515       4.636492  -13.88684      69.65528 
1 1 1 25  1   5  f 75.07113 35.49956 -6.890822      4.315315  3.534409       4.419424  -42.90897      60.79972 
1 1 1 25  1   6  o 158.3347 44.98503 13.13338       4.847153  3.065223       4.431220  83.52680       73.08287 
1 1 1 25  1   7  o 208.4285 37.91045 11.74391       4.624921  11.85242       4.823390  1.677139       76.81413 
1 1 1 25  1   8  o 157.2313 44.69302 7.674220       4.479085  6.928571       4.654503  7.347382       76.32018 
1 1 1 25  1   9  o 86.06401 38.42689 1.567009       4.122403  -1.317513      4.241208  13.72016       62.79722 
1 1 1 25  1   10 o 136.4915 44.98509 9.373823       4.389987  1.509524       4.442297  62.75864       71.17371 
1 1 1 25  1   11 o 97.77316 41.07146 0.8254220      4.109188  2.652287       4.332146  -12.22266      66.23405 
1 1 1 25  1   12 o 104.7861 41.92827 1.282713       3.947072  4.044424       4.340740  -20.22429      67.52612 
1 1 1 25  1   13 o 237.1783 32.81773 19.42137       4.707900  9.418204       4.690403  98.07779       69.27843 
1 1 1 25  1   14 o 125.4652 49.75917 5.358529       5.459638  3.675425       6.130857  7.755699       78.28050 
1 1 1 25  1   15 f 111.0581 47.49358 6.646432       5.813629  -1.009804      5.806360  34.85295       75.19643 
1 1 1 25  1   16 o 173.4215 53.59068 10.16000       6.168049  10.58181       6.540659  -0.4768372     87.80368 
1 1 1 25  1   17 o 157.9637 44.00266 4.650678       4.229097  11.17953       4.760215  -54.61440      74.52540 
1 1 1 25  1   18 o 92.80719 42.77376 4.982376       5.986673  -4.307493      5.465457  36.82391       70.37051 
1 1 1 25  1   19 o 86.16356 40.54303 -3.184844      5.680713  0.6616589      5.461274  -11.28306      66.05450 
1 1 1 25  1   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  2   2  o 83.14433 37.74266 -1.650008      4.129908  1.863713       4.331505  -17.68385      61.62902 
1 1 1 25  2   3  o 96.80433 41.62500 -0.4347203     4.549295  3.760013       4.468499  -21.50924      66.46029 
1 1 1 25  2   4  o 209.0002 38.76565 12.88049       4.819955  11.34519       4.862013  15.88690       78.04850 
1 1 1 25  2   5  o 173.5999 44.04907 6.337576       4.667946  11.86640       4.837523  -48.09903      76.96636 
1 1 1 25  2   6  o 74.22778 35.16900 0.1949189      4.388339  -4.164837      4.264657  18.09988       59.31027 
1 1 1 25  2   7  o 187.5011 53.99563 11.55943       4.681121  0.000000       0.000000  ?              ?        
1 1 1 25  2   8  o 165.8571 43.83581 5.660686       4.447337  10.53407       4.719639  -42.97960      75.95322 
1 1 1 25  2   9  o 88.21440 39.06766 -0.6653870     4.241227  1.417486       4.224309  -10.69356      63.73829 
1 1 1 25  2   10 o 111.6071 43.48074 4.420012       4.366505  1.913318       4.304607  17.07726       69.62142 
1 1 1 25  2   11 o 92.70539 40.19592 3.856685       4.325317  -1.783423      4.223576  32.04937       65.37984 
1 1 1 25  2   12 o 157.2163 43.61506 7.222587       4.370522  7.043205       4.435381  1.931488       75.25950 
1 1 1 25  2   13 o 76.29519 35.49844 -0.2740749     4.031742  -2.470974      4.115895  8.983818       59.30257 
1 1 1 25  2   14 o 171.5602 54.24266 8.286308       6.224799  11.39519       6.730668  -18.02745      88.86194 
1 1 1 25  2   15 o 137.7640 51.50037 8.072507       5.642222  3.475993       6.247730  25.95226       80.86095 
1 1 1 25  2   16 f 183.9381 46.55347 11.08395       4.630978  8.525869       6.434235  33.77820       81.56699 
1 1 1 25  2   17 o 94.29179 41.52670 3.527067       4.204681  -3.073976      5.484304  22.35067       66.13319 
1 1 1 25  2   18 o 97.56071 43.72636 -0.2687480     5.379437  2.363132       5.562419  -11.61918      70.04433 
1 1 1 25  2   19 o 115.7281 47.64750 2.157417       5.629524  5.298281       5.404466  -15.15119      74.62549 
1 1 1 25  2   20 o 147.9268 44.90418 3.706911       4.590891  9.767822       4.378562  -50.34545      72.79887 
1 1 1 25  3   2  o 83.66312 37.90060 2.635062       4.349578  -2.297779      4.131231  24.83530       62.15011 
1 1 1 25  3   3  o 93.52470 40.54692 0.9457456      4.354970  1.681118       4.340215  -3.775146      65.05511 
1 1 1 25  3   4  o 85.59728 38.64690 -0.3286492     4.329602  0.4570480      4.393353  -4.135941      62.94591 
1 1 1 25  3   5  o 152.8101 44.35619 10.04922       4.457936  4.059160       4.444207  51.64477       73.37183 
1 1 1 25  3   6  o 260.9424 31.44658 20.49298       5.101198  14.41343       4.881453  53.90643       69.52348 
1 1 1 25  3   7  o 54.84811 27.50954 -6.281296      4.004636  -7.882002      4.103298  2.912628       49.20773 
1 1 1 25  3   8  o 76.94221 35.99299 2.758292       4.372539  -5.628016      4.192162  38.59012       61.45306 
1 1 1 25  3   9  o 76.75390 35.98493 1.114482       4.295414  -4.619167      4.340545  23.70937       60.66968 
1 1 1 25  3   10 o 171.3711 42.78919 6.475055       4.428291  10.36559       4.648853  -35.39590      76.01466 
1 1 1 25  3   11 o 71.73255 34.18513 -2.757926      4.252836  -2.337429      4.161628  -0.7154083     57.91222 
1 1 1 25  3   12 o 142.7466 45.24543 5.270332       4.403793  6.780639       4.590501  -12.17278      74.88963 
1 1 1 25  3   13 o 102.3774 45.64234 0.4657110E-01  5.643986  2.146557       6.136653  -11.06304      73.54472 
1 1 1 25  3   14 o 98.81460 44.53173 7.368112       5.854847  -5.994298      5.668526  57.24816       73.30545 
1 1 1 25  3   15 o 91.15440 42.31911 -0.1606705     5.382649  -2.128343      6.178920  1.852386       69.30348 
1 1 1 25  3   16 o 79.60386 37.47482 -2.210134      4.081678  -1.107764      5.978591  -18.86151      64.01330 
1 1 1 25  3   17 o 101.9071 45.09760 5.056494       5.926474  -1.493689      5.373624  30.41570       72.76698 
1 1 1 25  3   18 o 127.4147 49.91562 1.464485       5.633417  9.158680       5.851490  -41.58800      78.20324 
1 1 1 25  3   19 o 104.1709 43.43160 -2.400056      5.297085  5.596363       4.210837  -37.12280      67.84480 
1 1 1 25  3   20 o 74.50812 34.58684 -2.510814      3.815234  0.6043702      3.849342  -14.50066      57.43080 
1 1 1 25  3   21 o 100.1575 40.27295 2.086033       3.847970  2.913177       3.811889  -5.330429      64.13873 
1 1 1 25  4   2  o 90.14680 39.84808 1.134663       4.389511  0.5465203      4.377286  2.975883       64.18102 
1 1 1 25  4   3  o 95.55808 41.05999 3.370459       4.383962  -0.2970341     4.377868  19.78389       65.85350 
1 1 1 25  4   4  o 132.7685 45.00371 2.938935       4.358954  7.846122       4.473478  -37.90961      72.41032 
1 1 1 25  4   5  o 150.6472 45.17261 10.88816       4.638466  3.167186       4.475257  63.95052       73.38432 
1 1 1 25  4   6  o 99.09106 41.63571 4.207819       4.399188  -0.3848313     4.272819  27.52451       66.94509 
1 1 1 25  4   7  o 164.6203 43.59316 4.524741       4.355099  11.58446       4.708141  -62.91064      74.29726 
1 1 1 25  4   8  o 258.5344 31.42451 17.94978       5.013566  15.64722       4.862510  19.66217       68.89694 
1 1 1 25  4   9  o 109.0964 42.88353 4.571433       4.297730  1.236495       4.200615  22.96928       68.78179 
1 1 1 25  4   10 f 138.9392 44.49546 4.964217       4.372578  6.211007       4.303122  -10.50166      73.44977 
1 1 1 25  4   11 o 99.60371 41.64855 0.1584870      4.284834  3.467029       4.325892  -19.99820      67.07365 
1 1 1 25  4   12 o 145.1618 44.46857 8.529058       4.440832  3.863027       4.323969  39.91038       73.45405 
1 1 1 25  4   13 o 167.2471 54.00157 7.968027       6.219154  10.49597       6.553384  -15.14865      87.96526 
1 1 1 25  4   14 o 119.7739 49.40357 3.507375       5.912571  3.801883       5.971545  -1.615936      78.10869 
1 1 1 25  4   15 o 131.2966 51.96188 6.401362       5.856802  3.388999       6.799225  13.70457       81.52332 
1 1 1 25  4   16 o 103.1198 45.58440 3.218120       5.960063  -0.3858636     5.536856  17.48611       73.42799 
1 1 1 25  4   17 f 81.95023 39.47211 -0.1571600     5.968733  -6.834345      5.925663  19.52133       66.45330 
1 1 1 25  4   18 o 105.8468 46.02467 3.793124       5.651063  0.5713675      5.620610  14.25727       72.99201 
1 1 1 25  4   19 o 117.0503 42.88403 2.581532       4.007196  5.433399       4.134501  -21.39050      68.65089 
1 1 1 25  4   20 o 89.30373 38.47115 1.099062       3.775415  1.195120       3.960755  -1.783981      62.00346 
1 1 1 25  4   21 o 88.65341 38.32311 1.209290       3.809029  1.110537       3.915301  -0.1147766     61.59765 
1 1 1 25  5   2  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  5   3  o 95.59290 40.88784 3.825928       4.335342  -0.6298453     4.280586  24.98652       65.67076 
1 1 1 25  5   4  o 129.3929 45.29741 5.231496       4.434262  4.789001       4.538107  3.273880       73.03151 
1 1 1 25  5   5  o 106.8044 43.37004 3.023199       4.407846  2.431517       4.578063  2.857903       69.12005 
1 1 1 25  5   6  o 100.1009 41.93916 4.297173       4.458447  -0.2670809     4.302804  27.51309       67.41049 
1 1 1 25  5   7  o 104.6053 42.80478 1.069304       4.340004  3.677973       4.493967  -16.78300      68.74654 
1 1 1 25  5   8  o 163.6779 43.86034 9.898451       4.524453  5.365789       4.562027  41.55974       75.33564 
1 1 1 25  5   9  o 180.7865 42.51274 7.905424       4.458476  10.65538       4.954700  -22.43361      77.96950 
1 1 1 25  5   10 o 107.6735 42.98264 2.215438       4.283476  3.165442       4.377923  -6.616364      68.99345 
1 1 1 25  5   11 o 297.7293 26.90074 19.33607       4.825301  23.78286       5.009242  -34.24680      58.26492 
1 1 1 25  5   12 o 214.5160 35.20770 11.24149       4.510286  12.67324       4.535121  -14.68347      73.13312 
1 1 1 25  5   13 o 113.9380 47.42440 2.174073       5.394813  3.868553       5.707632  -9.762711      75.49284 
1 1 1 25  5   14 o 169.5541 63.45075 0.000000       0.000000  11.06312       6.359591  ?              ?        
1 1 1 25  5   15 o 139.9171 53.32459 6.195635       4.538901  0.000000       0.000000  ?              ?        
1 1 1 25  5   16 o 120.6877 49.94980 4.163477       6.237624  3.348321       5.974760  4.618233       78.89684 
1 1 1 25  5   17 o 187.9655 53.73807 7.826319       6.652328  14.97554       6.509844  -50.14879      89.38184 
1 1 1 25  5   18 o 147.3566 59.59305 8.277435       5.967091  0.000000       0.000000  ?              ?        
1 1 1 25  5   19 o 91.77806 39.19598 4.696350       3.894066  -2.162112      4.003526  39.83467       62.92666 
1 1 1 25  5   20 o 148.4032 42.37451 8.801800       4.034433  4.171939       4.155961  42.79065       70.77477 
1 1 1 25  5   21 o 113.3549 41.69510 4.022639       3.747815  3.378026       3.967407  4.513481       66.73169 
1 1 1 25  5   22 o 153.6922 46.13178 5.173309       5.703869  8.916091       4.153478  -35.05515      75.06653 
1 1 1 25  6   3  o 160.8681 45.17109 6.340402       4.561650  9.573748       4.833635  -26.15564      77.14716 
1 1 1 25  6   4  o 132.9019 45.46848 5.472359       4.389372  5.141720       4.637469  2.623291       73.66003 
1 1 1 25  6   5  o 91.71172 40.22982 4.880727       4.414396  -3.108053      4.363320  42.59495       65.48501 
1 1 1 25  6   6  f 173.5172 43.04545 11.11652       4.640685  6.301191       4.581543  44.38031       75.98239 
1 1 1 25  6   7  o 146.8174 45.67319 3.331028       4.484889  9.731978       4.726181  -52.39533      74.61526 
1 1 1 25  6   8  o 185.5318 41.35989 4.446173       4.491061  15.23002       4.801565  -99.64548      71.60268 
1 1 1 25  6   9  o 181.0718 41.40292 8.608284       4.518170  9.475304       4.580481  -8.056061      76.68089 
1 1 1 25  6   10 o 147.0151 44.73851 5.256482       4.348083  7.351097       4.547001  -17.64804      74.92066 
1 1 1 25  6   11 o 96.26548 41.04758 6.983642       4.332896  -4.223103      4.301856  66.70811       65.93477 
1 1 1 25  6   12 o 260.9146 30.45286 17.09748       4.885058  16.79515       4.788868  1.395050       66.75275 
1 1 1 25  6   13 o 87.47423 41.08281 -1.662977      5.646890  -1.932191      5.693995  0.5961075      67.90855 
1 1 1 25  6   14 o 192.0413 63.32100 0.000000       0.000000  13.71571       6.186527  ?              ?        
1 1 1 25  6   15 o 103.0850 48.32140 -0.9468303     5.501252  0.000000       0.000000  ?              ?        
1 1 1 25  6   16 o 243.4384 47.33016 15.48635       6.964573  18.85716       6.817480  -29.41078      93.60182 
1 1 1 25  6   17 o 141.2772 52.20576 1.893305       5.945125  11.15529       6.165030  -53.99343      82.10889 
1 1 1 25  6   18 o 83.68497 38.59965 3.693757       5.749174  -2.996396      4.023134  40.64963       66.86036 
1 1 1 25  6   19 o 158.1961 41.67418 9.060502       4.116083  5.499525       4.176217  34.38208       72.22330 
1 1 1 25  6   20 o 142.3330 43.08273 2.426659       3.984728  10.38248       4.289934  -68.80370      69.56447 
1 1 1 25  6   21 f 76.26847 35.11959 -2.129914      3.760514  0.9176762      3.915985  -15.72380      58.14178 
1 1 1 25  6   22 o 83.34116 37.13580 0.2444584      3.847692  0.7123759      3.920840  -2.924469      60.09467 
1 1 1 25  7   3  o 82.36115 37.70825 -0.7241115     4.240764  -0.2207918     4.438468  -3.800194      61.89762 
1 1 1 25  7   4  o 104.5352 42.70617 0.5637656      4.356070  4.530383       4.416074  -24.36723      68.17443 
1 1 1 25  7   5  o 110.9618 44.00740 1.580315       4.395065  4.844047       4.634825  -21.51256      70.32430 
1 1 1 25  7   6  o 93.99484 40.64672 2.886097       4.275307  -0.6606984     4.421530  18.21322       65.54742 
1 1 1 25  7   7  o 166.2292 43.44519 7.061958       4.435166  8.923802       4.628935  -16.10056      76.46703 
1 1 1 25  7   8  f 101.9033 45.92505 0.000000       0.000000  0.5484727      4.331737  ?              ?        
1 1 1 25  7   9  f 107.0699 42.83455 1.974820       4.296186  3.173250       4.323127  -7.946198      68.84918 
1 1 1 25  7   10 o 127.4174 45.05951 8.726415       4.387751  0.1634672      4.507408  64.05614       70.47791 
1 1 1 25  7   11 o 171.8560 41.64268 12.26953       4.468139  4.411347       4.320087  74.62646       71.80160 
1 1 1 25  7   12 o 90.44868 39.57721 2.250058       4.310025  -0.8339798     4.142812  18.07737       64.61909 
1 1 1 25  7   13 o 178.4771 46.97284 14.23830       6.348848  6.849621       4.603054  49.43695       83.90225 
1 1 1 25  7   14 o 112.3646 51.46259 0.000000       0.000000  1.015656       5.717450  ?              ?        
1 1 1 25  7   15 f 90.71516 44.16232 -5.173143      5.634575  0.000000       0.000000  ?              ?        
1 1 1 25  7   16 o 99.42738 44.92558 -4.087553      5.891551  4.984543       5.921572  -36.24355      73.17712 
1 1 1 25  7   17 o 184.9672 52.67731 10.39996       6.377145  11.44149       6.293120  -7.979401      89.33894 
1 1 1 25  7   18 o 82.73283 38.39879 -4.689396      5.672574  0.8205587      4.128426  -8.840363      63.20173 
1 1 1 25  7   19 o 135.4407 43.25684 5.819407       4.077700  5.169706       4.125597  5.623108       71.30109 
1 1 1 25  7   20 o 113.6153 42.17791 0.4095745      3.863838  7.304031       4.060665  -52.09149      66.70777 
1 1 1 25  7   21 o 148.7192 42.25043 10.87486       4.107535  2.497088       4.053236  75.56393       68.15279 
1 1 1 25  7   22 o 109.7794 46.63929 0.000000       0.000000  3.269455       3.916193  ?              ?        
1 1 1 25  7   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  8   4  o 87.96143 39.34755 0.2512416      4.372330  0.3780099      4.438527  -1.080513      63.94704 
1 1 1 25  8   5  o 101.3817 42.19098 -0.8921088     4.333000  5.203106       4.443778  -36.84882      67.66965 
1 1 1 25  8   6  o 157.4608 45.03714 8.543972       4.629020  6.169737       4.612346  20.51367       76.52823 
1 1 1 25  8   7  o 91.43452 40.35629 3.445015       4.472206  -2.153751      4.487224  28.32795       65.65469 
1 1 1 25  8   8  o 185.2412 41.82226 11.73291       4.670214  7.337049       4.713218  42.63396       76.61433 
1 1 1 25  8   9  o 90.57458 39.90757 -2.914062      4.197850  4.474411       4.548824  -42.54226      65.92544 
1 1 1 25  8   10 o 106.4764 42.70016 2.454181       4.219819  2.569468       4.370732  -1.544556      68.67403 
1 1 1 25  8   11 o 140.4412 44.35856 7.144724       4.257419  4.074083       4.392080  26.18719       73.08172 
1 1 1 25  8   12 o 113.1753 43.15313 5.807821       4.177430  0.6550025      4.233100  36.46613       68.79707 
1 1 1 25  8   13 o 103.6735 42.31573 0.1349612      4.249416  4.473446       4.354838  -27.93076      67.99636 
1 1 1 25  8   14 o 110.0895 48.01637 0.6904855      6.234303  3.343027       6.115370  -10.68504      76.49695 
1 1 1 25  8   15 o 92.86935 42.76002 2.154044       5.747083  -3.269264      5.624256  21.24984       70.19828 
1 1 1 25  8   16 o 114.8607 45.66792 2.273028       4.232507  5.441125       5.917732  -23.87656      74.51644 
1 1 1 25  8   17 o 155.3170 53.00051 13.43472       6.448133  3.333219       5.845793  62.77422       84.47124 
1 1 1 25  8   18 o 133.4340 50.83097 0.5300744      5.646893  11.36287       6.034414  -62.32426      79.82713 
1 1 1 25  8   19 o 258.3960 28.84513 15.07222       4.450486  18.60232       4.645319  -30.70734      63.78937 
1 1 1 25  8   20 o 96.30460 39.91592 4.663728       3.862929  -0.8356236     3.947385  34.10457       63.62989 
1 1 1 25  8   21 o 154.6509 41.26633 6.928071       4.040559  7.191034       4.023843  -2.650513      72.08392 
1 1 1 25  8   22 o 178.0105 39.12664 9.921396       4.184447  8.308473       4.220700  16.86049       73.55560 
1 1 1 25  8   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  9   4  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  9   5  o 152.3410 45.78196 8.600732       4.724854  5.516143       4.625771  25.20410       76.41486 
1 1 1 25  9   6  o 134.5945 46.75373 4.754112       4.778960  6.121929       4.767433  -9.915108      75.45582 
1 1 1 25  9   7  o 291.6036 29.29620 24.56748       5.465342  18.22129       5.018409  47.02275       64.57788 
1 1 1 25  9   8  o 108.5581 43.37607 4.685825       4.465871  1.076970       4.363274  23.41318       69.36433 
1 1 1 25  9   9  f 81.99084 37.66608 1.279650       4.390531  -2.973774      4.362441  19.57719       62.60549 
1 1 1 25  9   10 o 227.2889 34.61926 18.98633       4.866490  8.161089       4.599043  103.1030       70.09522 
1 1 1 25  9   11 o 83.28883 37.93750 -3.712933      4.259197  2.686459       4.376195  -31.92083      63.28377 
1 1 1 25  9   12 o 134.0882 45.36326 7.602912       4.462075  2.680219       4.509925  38.52718       73.10633 
1 1 1 25  9   13 f 162.1378 43.45546 7.691947       4.388791  7.268180       4.532986  4.638519       75.89377 
1 1 1 25  9   14 o 125.8410 51.59559 0.8937848      6.325910  7.961018       6.540287  -34.19443      81.44577 
1 1 1 25  9   15 o 168.7087 53.95226 9.853821       6.393548  8.721766       6.364091  7.284164       88.10117 
1 1 1 25  9   16 o 172.4336 43.21184 8.741636       4.620245  8.214279       4.604521  4.843063       77.32678 
1 1 1 25  9   17 o 94.56937 43.53284 1.122912       6.061429  -1.777323      5.727355  12.46231       70.94968 
1 1 1 25  9   18 f 286.3924 39.22602 31.20371       7.246574  15.41409       6.403015  114.6030       84.57858 
1 1 1 25  9   19 o 125.4939 43.71971 4.598740       4.181789  4.841922       4.168918  -1.880051      70.57112 
1 1 1 25  9   20 o 199.7330 36.25480 9.483257       4.257635  12.38158       4.398881  -28.50258      73.13805 
1 1 1 25  9   21 o 172.0331 38.99391 8.648786       4.111958  8.219562       4.019276  3.433640       72.58760 
1 1 1 25  9   22 o 70.83472 33.18080 -3.601849      3.600887  1.326593       3.716934  -23.31257      55.71123 
1 1 1 25  9   23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  10  5  o 115.1804 44.80460 5.969876       4.786679  1.598594       4.429485  29.06444       71.52915 
1 1 1 25  10  6  o 94.40589 40.77711 3.607739       4.448827  -1.009082      4.284712  26.25797       66.02997 
1 1 1 25  10  7  o 192.3992 42.84718 13.01147       5.178437  8.330390       4.807266  40.07153       79.59866 
1 1 1 25  10  8  o 139.0315 46.86565 7.463326       4.816504  4.295292       4.759612  23.56651       75.89470 
1 1 1 25  10  9  o 155.5448 45.17045 9.295832       4.670744  5.126041       4.561263  35.44559       75.93698 
1 1 1 25  10  10 o 141.6398 45.06073 7.974840       4.498516  3.835998       4.411024  34.17312       73.91270 
1 1 1 25  10  11 o 122.2044 45.22341 2.374009       4.564613  5.793324       4.524373  -23.97771      72.42609 
1 1 1 25  10  12 o 119.8284 44.66962 1.970882       4.378909  5.898569       4.522404  -28.30051      71.64330 
1 1 1 25  10  13 o 165.3129 43.30111 10.38070       4.507382  5.177123       4.477673  48.13898       74.62855 
1 1 1 25  10  14 o 132.7909 45.23326 5.656061       4.484532  4.547880       4.437584  8.660500       73.63580 
1 1 1 25  10  15 o 158.0715 54.32389 6.449817       6.141728  10.44051       6.780064  -22.68318      87.23107 
1 1 1 25  10  16 o 104.4703 46.59663 -1.500128      5.839592  4.553273       6.469404  -27.01438      75.33704 
1 1 1 25  10  17 o 134.1510 57.34432 0.000000       0.000000  5.755693       5.984541  ?              ?        
1 1 1 25  10  18 o 111.6431 47.32853 4.553182       5.846504  1.553548       5.531209  14.97225       74.84515 
1 1 1 25  10  19 o 130.7868 47.67943 12.09432       6.361446  2.478925       4.278784  58.40274       78.94425 
1 1 1 25  10  20 o 93.51479 39.57227 1.983785       3.910235  1.307050       4.012882  3.403084       63.32853 
1 1 1 25  10  21 o 93.91470 39.54416 3.564167       4.007351  0.1053081      3.843950  21.64730       63.37591 
1 1 1 25  10  22 o 87.45535 37.92424 -0.7259869     3.859539  2.937845       3.752912  -19.93642      60.83957 
1 1 1 25  10  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  11  6  o 75.57011 35.65368 -2.277972      4.159551  -1.394241      4.587743  -7.281921      59.77549 
1 1 1 25  11  7  o 180.8094 47.39168 12.26614       6.520617  8.656661       4.682692  14.89337       84.73174 
1 1 1 25  11  8  o 173.1977 43.88444 8.819279       4.772301  8.562460       4.668921  1.610580       78.20261 
1 1 1 25  11  9  o 106.3829 43.24223 0.3317236      4.569463  4.717957       4.375547  -25.72782      68.83825 
1 1 1 25  11  10 o 98.58054 41.70996 1.726642       4.545765  1.697219       4.265544  1.785774       67.04381 
1 1 1 25  11  11 o 96.28287 41.09543 6.518458       4.466700  -3.119517      4.214181  58.10415       66.61658 
1 1 1 25  11  12 o 81.46265 37.34706 3.592360       4.363109  -4.764594      4.187816  41.50290       62.81875 
1 1 1 25  11  13 o 82.50677 37.95837 -3.567310      4.349030  2.142543       4.595366  -27.75395      63.44776 
1 1 1 25  11  14 o 85.66823 38.26908 -0.3945461     4.221794  0.5441727      4.084944  -3.677437      62.64481 
1 1 1 25  11  15 o 136.8463 51.82653 3.874203       5.774486  8.284328       6.345936  -24.82545      82.10709 
1 1 1 25  11  16 o 95.51655 43.86928 1.474502       5.708368  -2.156144      6.183659  10.40404       71.00988 
1 1 1 25  11  17 o 85.91975 39.72716 -1.579275      4.264665  0.9836931      6.249406  -22.62939      66.98186 
1 1 1 25  11  18 o 88.79527 41.80703 2.131465       6.181497  -4.297874      5.718560  23.21627       68.89614 
1 1 1 25  11  19 o 166.8614 53.97123 10.62933       6.756377  9.415348       6.044518  3.451157       86.92697 
1 1 1 25  11  20 o 88.23969 41.61216 -1.196816      4.188869  0.000000       0.000000  ?              ?        
1 1 1 25  11  21 o 107.6361 42.06174 5.568773       4.167738  1.125042       3.973014  30.34080       66.78257 
1 1 1 25  11  22 o 104.7357 42.05465 2.643977       4.180068  3.471967       4.159866  -5.051666      66.37548 
1 1 1 25  11  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  12  7  o 97.76338 41.74080 1.574270       4.400170  1.687866       4.553215  -1.476288      66.98169 
1 1 1 25  12  8  o 110.5383 43.87923 1.891759       4.268701  4.600919       4.744508  -18.79980      70.30154 
1 1 1 25  12  9  o 82.85367 37.93165 1.541000       4.254007  -3.016993      4.533229  18.22196       62.46521 
1 1 1 25  12  10 o 111.9529 44.19228 4.066307       4.337674  2.252649       4.746873  9.946884       70.33823 
1 1 1 25  12  11 o 79.80205 36.92749 -4.841967      4.153968  3.525613       4.500418  -40.98157      62.55969 
1 1 1 25  12  12 o 115.8251 43.94619 1.748968       4.201125  5.915939       4.510661  -29.69009      70.34539 
1 1 1 25  12  13 o 113.2271 43.30816 1.955060       4.015236  5.307381       4.516563  -24.79392      69.64403 
1 1 1 25  12  14 o 108.1234 45.10841 -0.6340352     5.771503  4.636973       4.520921  -21.34718      71.13053 
1 1 1 25  12  15 o 72.84521 34.67935 -3.089533      4.337775  -1.651207      4.275031  -4.853798      58.38786 
1 1 1 25  12  16 o 84.71536 40.57821 -6.327780      6.108540  0.7051966      6.070615  -20.03416      67.51204 
1 1 1 25  12  17 o 118.7822 50.09011 3.641914       5.976859  4.444458       6.705250  -4.741386      78.22604 
1 1 1 25  12  18 o 86.34858 38.70751 -0.5093054     4.183210  1.353240       4.399449  -10.40301      62.82662 
1 1 1 25  12  19 o 117.3653 49.58677 4.404361       6.462722  3.795905       5.971695  3.317429       77.04824 
1 1 1 25  12  20 o 99.09316 45.08896 3.474508       6.289458  -1.005103      5.885007  17.27514       71.81680 
1 1 1 25  12  21 o 100.1712 41.64949 4.530245       4.257669  0.3357698      4.282239  24.01031       65.94486 
1 1 1 25  12  22 o 97.57500 40.46079 3.595984       4.061648  1.175426       3.968625  14.72425       64.09222 
1 1 1 25  12  23 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  13  8  o 78.25450 36.82900 0.6363323E-01  4.670897  -3.389623      4.529401  14.50006       61.49926 
1 1 1 25  13  9  o 135.3497 45.95242 6.790387       4.487216  4.212794       4.729036  19.52376       74.15940 
1 1 1 25  13  10 o 77.77699 36.21115 -0.6792030     4.157518  -1.901227      4.346997  3.540070       60.13472 
1 1 1 25  13  11 o 127.5475 45.31783 8.425347       4.436758  0.9901168      4.570294  53.99599       71.24567 
1 1 1 25  13  12 o 160.9704 44.29488 5.961050       4.347393  9.843242       4.810821  -31.79105      76.33237 
1 1 1 25  13  13 o 184.3260 41.73468 11.80284       4.588398  7.495657       4.736372  42.46518       76.32400 
1 1 1 25  13  14 o 108.5917 43.22276 4.074727       4.316472  1.966311       4.416909  12.94189       68.73875 
1 1 1 25  13  15 o 69.25092 33.31956 -4.097480      4.175797  -1.618342      4.247082  -9.537811      56.57424 
1 1 1 25  13  16 o 156.8206 53.57509 8.689125       4.425585  0.000000       0.000000  ?              ?        
1 1 1 25  13  17 o 171.9336 55.23007 9.153507       6.444319  12.50008       6.941405  -17.06767      88.94440 
1 1 1 25  13  18 o 112.2417 48.32623 2.080981       5.964719  4.592947       6.227848  -11.01160      75.54789 
1 1 1 25  13  19 o 107.5684 44.76537 3.772086       4.298841  1.558631       5.989591  5.813393       70.51910 
1 1 1 25  13  20 o 97.95737 44.33983 -0.8932256     5.652099  3.537379       5.924993  -17.38570      70.51564 
1 1 1 25  13  21 o 78.78497 37.04690 3.496831       5.549422  -3.594382      4.062087  35.65385       63.46920 
1 1 1 25  13  22 o 78.98348 35.89848 0.8387421      3.747481  -0.7887936     3.937133  6.370644       58.15345 
1 1 1 25  14  9  o 171.0259 43.49028 9.901542       4.705430  7.395043       4.545988  21.76596       77.11673 
1 1 1 25  14  10 o 80.83532 37.21039 1.764140       4.343261  -3.055145      4.260506  22.16785       61.61048 
1 1 1 25  14  11 o 81.69006 37.38318 0.6278532      4.281385  -1.595293      4.229224  10.55753       61.48249 
1 1 1 25  14  12 o 148.1957 45.66502 11.57480       4.658026  2.052395       4.566881  76.79227       72.34866 
1 1 1 25  14  13 o 102.0713 42.06324 0.4470913      4.282980  4.238908       4.321503  -22.99120      67.15975 
1 1 1 25  14  14 o 203.8938 37.80165 10.84380       4.586794  11.93893       4.623677  -10.68370      76.05273 
1 1 1 25  14  15 o 87.61597 39.94421 -5.284008      5.795942  2.668824       4.185660  -20.27204      64.36479 
1 1 1 25  14  16 o 99.13330 44.64584 1.112685       4.085710  0.000000       0.000000  ?              ?        
1 1 1 25  14  17 o 137.8971 44.69432 5.352356       4.360172  6.516403       4.375039  -9.256393      73.06642 
1 1 1 25  14  18 o 109.8566 47.62104 4.294887       5.858031  1.602286       6.142651  10.31124       74.37335 
1 1 1 25  14  19 o 127.9142 50.46736 7.337572       5.922605  4.048544       5.883840  16.41519       78.13403 
1 1 1 25  14  20 o 81.00568 38.76936 -2.847587      5.644961  -1.325298      5.428861  -3.176598      63.38166 
1 1 1 25  14  21 o 76.31394 37.04272 -4.532004      5.550781  -1.786595      5.444016  -6.606407      61.17933 
1 1 1 25  14  22 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  15  10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  15  11 o 106.9381 43.34274 2.674723       4.474772  3.110371       4.475521  -2.604294      68.84236 
1 1 1 25  15  12 o 114.8372 44.08700 3.206980       4.460857  4.307113       4.358566  -7.028893      70.03611 
1 1 1 25  15  13 o 118.1726 43.99448 5.325908       4.442676  3.017011       4.193503  16.45605       70.24339 
1 1 1 25  15  14 o 145.3919 44.46269 3.286644       4.309515  9.945818       4.459280  -55.25616      72.31639 
1 1 1 25  15  15 o 99.76707 45.26239 0.000000       0.000000  1.036552       4.291165  ?              ?        
1 1 1 25  15  16 o 81.19511 38.04121 0.8109360      4.262817  -4.666853      5.646747  9.553650       62.24988 
1 1 1 25  15  17 o 142.4568 44.43671 5.956960       4.400445  6.796249       4.304879  -7.283829      73.33695 
1 1 1 25  15  18 f 94.75578 40.59362 1.306892       4.315305  2.213601       4.203231  -4.323654      64.56165 
1 1 1 25  15  19 o 82.54002 39.50868 1.194325       5.692585  -5.292398      5.810762  17.83169       64.74061 
1 1 1 25  15  20 o 86.24816 40.86124 -3.149320      5.475657  1.850815       6.279614  -18.42443      66.47853 
1 1 1 25  15  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  16  12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 25  16  13 o 100.8317 41.75216 0.4031785      4.370129  4.157053       4.169500  -21.11990      66.23042 
1 1 1 25  16  14 o 74.65871 35.11137 1.537362       4.335920  -3.986699      4.015097  25.36395       59.09731 
1 1 1 25  16  15 o 90.48907 42.35776 0.000000       0.000000  -0.5656414     4.202330  ?              ?        
1 1 1 25  16  16 o 130.5359 47.65063 6.838427       4.431908  3.730881       5.919758  19.91119       74.47248 
1 1 1 25  16  17 o 109.3377 43.15068 2.884321       4.378061  4.076647       4.257807  -7.185272      68.01360 
1 1 1 25  16  18 o 85.89993 38.67145 -1.712556      4.276798  2.951638       4.386240  -22.11418      62.47867 
1 1 1 25  16  19 o 129.0754 48.16275 5.487164       4.440660  6.784241       6.456611  -3.381355      75.88046 
1 1 1 26  -2  7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  -2  8  f 89.17114 39.74691 0.8722897      4.281335  1.103848       4.647052  -2.950226      63.50936 
1 1 1 26  -2  9  o 193.6710 40.51074 16.29994       4.782933  6.154243       4.640686  92.34772       72.71613 
1 1 1 26  -2  10 o 79.60847 36.90845 -1.183097      4.060551  0.2583212      4.694763  -10.18953      60.47907 
1 1 1 26  -2  11 o 111.0555 43.94799 1.603472       4.323960  6.144217       4.674052  -28.05772      69.39206 
1 1 1 26  -2  12 o 89.63853 39.74698 0.9404798      4.185598  1.123437       4.638027  -3.280937      63.62561 
1 1 1 26  -2  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  -1  6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  -1  7  o 122.3650 44.33375 3.610705       4.162621  6.217899       4.523612  -17.95236      70.57903 
1 1 1 26  -1  8  o 119.8618 44.95888 1.831954       4.302374  7.963489       4.776529  -40.39709      71.22655 
1 1 1 26  -1  9  f 78.12406 36.12106 0.4052737      3.950272  -1.801527      4.308440  6.745323       59.07103 
1 1 1 26  -1  10 o 156.3602 43.79855 9.809878       4.306758  5.168475       4.535344  41.72156       73.43147 
1 1 1 26  -1  11 o 78.79181 36.53929 -0.6747391     4.199500  -0.7685474     4.325344  -0.5474243     59.83646 
1 1 1 26  -1  12 o 90.39887 39.79773 -0.3859755     4.154161  2.860849       4.531549  -18.24608      64.11771 
1 1 1 26  -1  13 o 186.7356 50.43452 7.421638       7.165045  14.05916       5.235820  -60.25276      82.64256 
1 1 1 26  -1  14 o 82.97105 37.91093 2.018438       4.198590  -2.513846      4.527920  17.48592       61.52674 
1 1 1 26  -1  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  0   5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  0   6  o 103.0796 42.76754 4.908370       4.490837  0.5871942      4.486480  24.04587       67.48624 
1 1 1 26  0   7  o 206.5511 39.51968 15.38081       4.877758  9.114091       4.880554  60.14233       76.76260 
1 1 1 26  0   8  o 77.39874 36.07661 -3.593353      4.120428  1.952706       4.363875  -25.22157      60.09824 
1 1 1 26  0   9  o 124.7537 44.55174 4.390849       4.162492  5.385321       4.580241  -6.964500      71.37418 
1 1 1 26  0   10 o 75.22347 35.12824 -0.9303051     3.940976  -1.410074      4.163098  0.1381760      58.11320 
1 1 1 26  0   11 o 112.1569 43.00914 6.988016       4.068685  -0.2389359     4.328647  48.19202       67.15594 
1 1 1 26  0   12 f 72.86813 34.50867 -2.262617      3.969707  -1.293283      4.368865  -7.248238      57.71347 
1 1 1 26  0   13 o 144.0551 46.62163 4.748610       4.664456  8.790784       4.847685  -29.87360      75.71481 
1 1 1 26  0   14 o 131.1693 44.32355 10.24687       4.317762  0.6943371      4.248084  73.94268       68.76682 
1 1 1 26  0   15 o 129.9568 44.35032 8.689551       4.210691  1.697248       4.371326  53.26763       69.71590 
1 1 1 26  0   16 o 163.6242 42.97448 10.96488       4.453851  5.433459       4.381374  49.49423       73.72455 
1 1 1 26  1   5  o 118.9885 54.90065 0.000000       0.000000  4.183152       6.675687  ?              ?        
1 1 1 26  1   6  o 98.29200 41.88297 2.637492       4.507292  1.501566       4.471681  6.118095       66.44865 
1 1 1 26  1   7  o 106.9932 43.35039 5.661174       4.584802  0.7027025      4.372711  30.10348       68.71449 
1 1 1 26  1   8  o 249.2051 33.41396 15.70734       4.945201  17.14891       5.130553  -10.50467      74.09614 
1 1 1 26  1   9  o 112.6582 43.91121 2.044844       4.280286  5.368688       4.581403  -22.01323      69.80698 
1 1 1 26  1   10 o 147.6918 44.60922 4.378126       4.287742  9.418670       4.587444  -41.15101      73.87016 
1 1 1 26  1   11 o 141.2395 44.75489 6.621073       4.339005  5.703243       4.458623  7.839447       73.65367 
1 1 1 26  1   12 o 117.9963 43.59538 1.665058       4.053824  6.966709       4.408532  -38.66866      69.58949 
1 1 1 26  1   13 o 142.5246 43.77165 8.246857       4.271097  4.205422       4.212696  34.29176       72.14034 
1 1 1 26  1   14 o 184.4583 40.44862 10.82732       4.423760  8.579047       4.581403  23.92102       75.85130 
1 1 1 26  1   15 o 75.64381 35.09294 -1.001332      3.897514  -0.8426127     3.975890  -1.385193      57.96597 
1 1 1 26  1   16 o 172.2890 42.84941 8.745735       4.607937  9.079050       4.514332  -3.992554      76.78845 
1 1 1 26  1   17 o 136.3709 43.70278 6.533962       4.099727  5.012952       4.273143  13.03437       71.52182 
1 1 1 26  2   5  o 73.44040 35.08776 -2.039891      4.438004  -2.494776      4.545221  0.7188950      58.48249 
1 1 1 26  2   6  o 240.9075 34.58677 14.89152       4.898979  16.35001       5.151807  -9.467239      75.90353 
1 1 1 26  2   7  o 194.6628 40.43856 9.899392       4.768494  11.72624       4.679465  -18.98340      77.78505 
1 1 1 26  2   8  o 101.8662 42.28191 5.815180       4.459027  -0.8812715     4.323880  39.87489       67.42400 
1 1 1 26  2   9  o 95.30682 41.18527 4.508833       4.500884  -1.450167      4.413081  32.01096       66.24586 
1 1 1 26  2   10 o 223.8280 35.54487 15.97938       4.836395  11.02133       4.707117  48.01428       74.50530 
1 1 1 26  2   11 o 80.50382 37.14143 2.355362       4.336158  -3.714128      4.303623  26.94617       61.54804 
1 1 1 26  2   12 f 133.4724 45.17984 2.078269       4.399416  9.088902       4.501614  -53.52694      71.80532 
1 1 1 26  2   13 o 101.5837 42.02933 -0.2245855     4.159304  5.331456       4.496998  -34.69904      67.36756 
1 1 1 26  2   14 o 144.5915 43.86914 9.384402       4.213365  3.122646       4.344699  53.65899       71.12504 
1 1 1 26  2   15 o 148.6283 43.73124 6.731376       4.138077  6.662943       4.484688  2.218079       73.79028 
1 1 1 26  2   16 o 145.4046 43.32197 6.715675       4.106595  6.105692       4.298810  6.195450       72.73244 
1 1 1 26  2   17 o 72.19580 34.14011 -0.2968529     4.041251  -3.139243      4.035848  11.42718       57.05814 
1 1 1 26  2   18 o 135.7458 51.85739 6.947795       6.003896  6.198407       6.158724  4.081543       80.41499 
1 1 1 26  3   5  o 109.0842 47.33943 2.873406       4.198953  0.000000       0.000000  ?              ?        
1 1 1 26  3   6  o 78.10703 36.28396 -3.908704      4.170256  2.229571       4.290975  -27.47387      60.45142 
1 1 1 26  3   7  o 131.4147 45.42681 5.152947       4.487064  5.547993       4.520446  -2.890816      73.19907 
1 1 1 26  3   8  o 131.3795 45.63398 4.296788       4.546534  6.345536       4.547971  -15.03951      73.38386 
1 1 1 26  3   9  o 90.25707 39.73462 -1.321422      4.269770  3.091769       4.365157  -23.28222      64.37825 
1 1 1 26  3   10 f 74.40308 35.26112 -4.801726      4.297379  0.9671810      4.411316  -23.35749      59.56367 
1 1 1 26  3   11 o 215.2641 37.54832 18.22911       4.892787  7.349968       4.772830  102.7532       72.12267 
1 1 1 26  3   12 o 129.8397 45.35352 0.9899397      4.420540  9.639555       4.573148  -64.05793      71.22588 
1 1 1 26  3   13 f 88.39663 39.07272 3.276478       4.163409  -2.056201      4.266509  26.73431       63.32545 
1 1 1 26  3   14 o 124.0921 44.19478 3.863390       4.137803  5.475821       4.446933  -12.06659      71.10596 
1 1 1 26  3   15 o 84.88025 39.19334 -1.620308      3.985844  2.153114       6.598128  -29.94865      67.32131 
1 1 1 26  3   16 o 83.73264 37.74479 0.1437752      4.084177  0.1738203E-02  4.199769  -0.1786499     61.48483 
1 1 1 26  3   17 o 83.09670 39.28711 -2.917418      4.934879  0.1162421      5.872769  -16.00439      65.20357 
1 1 1 26  3   18 o 118.3879 48.71675 4.530206       5.670107  4.040911       5.853848  2.095276       75.82381 
1 1 1 26  3   19 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  4   5  o 88.19541 41.64122 -2.006803      5.656468  -0.5494257     6.329957  -8.096718      67.90562 
1 1 1 26  4   6  o 99.91231 41.81485 3.329503       4.416612  1.079135       4.277698  13.47150       66.68931 
1 1 1 26  4   7  o 114.0051 44.06170 2.230196       4.416429  5.058496       4.433112  -18.54658      70.00257 
1 1 1 26  4   8  o 112.2364 43.68161 3.620361       4.330244  3.232386       4.414712  2.295143       69.54591 
1 1 1 26  4   9  f 233.3167 49.09545 16.74620       4.865095  0.000000       0.000000  ?              ?        
1 1 1 26  4   10 o 100.9566 41.90400 3.060515       4.342763  1.382404       4.281340  10.17024       66.92912 
1 1 1 26  4   11 o 121.3547 44.75932 1.507751       4.321485  7.512512       4.579973  -42.59476      71.19575 
1 1 1 26  4   12 o 122.4475 44.52617 5.210677       4.375134  3.651413       4.374726  11.18222       71.26762 
1 1 1 26  4   13 o 122.1186 44.54807 6.602235       4.356810  2.162747       4.412070  31.60478       70.81928 
1 1 1 26  4   14 o 113.1001 44.57138 4.612068       4.593927  2.420846       4.605456  13.50644       70.68340 
1 1 1 26  4   15 o 192.0170 52.20222 12.17644       4.511306  0.000000       0.000000  ?              ?        
1 1 1 26  4   16 o 80.85496 36.88712 -1.667992      4.072861  0.9827454      4.130573  -12.92763      60.60349 
1 1 1 26  4   17 f 116.9804 48.65149 2.295326       5.711929  5.579866       5.952514  -15.93409      76.25692 
1 1 1 26  4   18 o 105.3626 46.13541 4.271948       5.566072  0.3048115E-01  5.950577  16.26540       72.62318 
1 1 1 26  4   19 o 101.4470 43.07888 4.747225       4.074988  -2.649294      5.821579  27.04719       67.19033 
1 1 1 26  5   5  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  5   6  o 77.01115 36.19061 -3.912869      4.318718  1.111953       4.511236  -21.59047      60.57898 
1 1 1 26  5   7  o 160.4190 54.52610 9.070557       4.583173  0.000000       0.000000  ?              ?        
1 1 1 26  5   8  o 76.11559 35.85217 -2.582206      4.253758  -0.7859235     4.505079  -9.265488      59.91742 
1 1 1 26  5   9  o 149.3248 44.96707 7.493604       4.526251  6.037917       4.486481  12.11844       75.24268 
1 1 1 26  5   10 o 129.7190 45.11448 4.028866       4.419600  6.157869       4.470856  -15.92597      72.70190 
1 1 1 26  5   11 o 103.6624 42.36837 2.543977       4.240453  2.432265       4.402097  -0.4042816E-01 67.61093 
1 1 1 26  5   12 o 144.7960 44.72764 3.148080       4.221524  10.23586       4.652032  -58.16405      73.05381 
1 1 1 26  5   13 o 76.20877 35.63778 0.4180534      4.230646  -3.110247      4.149610  15.61770       59.49497 
1 1 1 26  5   14 o 101.4127 43.49407 1.213904       6.057871  2.304680       4.222017  3.170731       69.86755 
1 1 1 26  5   15 o 105.9934 44.50058 1.800770       4.062893  4.785713       6.869398  -23.08321      73.41043 
1 1 1 26  5   16 o 102.5839 42.33351 0.9902794      4.285665  3.934849       4.450358  -18.11297      67.55983 
1 1 1 26  5   17 o 168.5983 53.39949 10.53890       6.045024  9.019619       6.502192  12.18336       86.60879 
1 1 1 26  5   18 f 71.93188 35.47296 -9.172393      5.544794  -1.845229      5.815770  -19.77258      61.15625 
1 1 1 26  5   19 o 87.30485 39.55369 -1.495033      3.898962  4.365208       5.962823  -36.21381      67.27632 
1 1 1 26  5   20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  6   6  o 122.1692 50.63874 4.499339       4.443769  0.000000       0.000000  ?              ?        
1 1 1 26  6   7  o 118.0020 44.48545 6.880430       4.466342  1.196991       4.410944  38.89825       70.47617 
1 1 1 26  6   8  o 101.3686 42.15679 5.841776       4.417792  -1.366346      4.335272  43.24426       67.38358 
1 1 1 26  6   9  o 134.8267 45.81412 4.257453       4.500136  6.895267       4.655426  -19.78768      74.17274 
1 1 1 26  6   10 o 125.2204 44.72885 3.599083       4.266129  5.815497       4.528350  -16.44787      71.95953 
1 1 1 26  6   11 o 127.0937 44.91372 5.301280       4.513556  4.373229       4.326434  6.919785       72.34579 
1 1 1 26  6   12 o 90.32147 39.49860 -2.775325      4.128905  4.800917       4.278723  -42.48958      64.38567 
1 1 1 26  6   13 o 85.61290 38.24059 -1.570355      3.996979  2.398075       4.309484  -22.57896      62.74226 
1 1 1 26  6   14 o 110.2505 47.61814 0.000000       0.000000  2.672775       4.208014  ?              ?        
1 1 1 26  6   15 o 87.83933 39.85198 3.161755       4.001091  -6.973791      5.988386  25.52280       63.96751 
1 1 1 26  6   16 o 194.6591 45.44286 10.47613       6.329711  11.87553       4.769541  -27.56004      82.88734 
1 1 1 26  6   17 o 91.09302 42.36846 3.125199       5.757062  -4.465510      5.832094  25.74946       69.15208 
1 1 1 26  6   18 o 104.4811 46.23402 4.410728       5.746666  -0.8628778     6.101815  19.65607       73.09007 
1 1 1 26  6   19 o 148.1987 47.39712 5.983734       4.231797  9.601728       6.121367  -17.43587      79.13136 
1 1 1 26  6   20 o 103.2447 45.63999 -3.598025      5.671543  8.163986       5.833691  -49.25587      72.92554 
1 1 1 26  7   6  o 223.3404 36.68600 12.99883       4.835128  13.98020       4.980631  -7.462250      77.13807 
1 1 1 26  7   7  o 84.19733 38.40955 3.021480       4.367452  -3.847301      4.529072  29.78428       63.11545 
1 1 1 26  7   8  o 204.3183 38.60056 11.96209       4.750754  10.92097       4.676330  9.505875       77.09675 
1 1 1 26  7   9  o 125.3111 45.02990 6.999855       4.504391  2.343650       4.412681  33.90279       71.92513 
1 1 1 26  7   10 o 119.2700 44.14540 12.86016       4.597477  -2.954828      4.105443  117.7131       65.26050 
1 1 1 26  7   11 o 86.49832 38.71509 -1.780288      4.204927  2.397599       4.340504  -21.73537      63.32370 
1 1 1 26  7   12 o 227.3162 35.17043 11.68786       4.651185  15.90681       4.962664  -37.68323      74.49106 
1 1 1 26  7   13 o 233.8544 34.60141 13.32250       4.778805  15.53010       4.962688  -19.13803      74.53439 
1 1 1 26  7   14 o 101.6833 43.79056 -0.8487110     6.257957  3.179510       4.290460  -8.759727      69.70918 
1 1 1 26  7   15 o 99.21403 41.30597 3.192662       4.167688  0.8729263      4.248932  13.36318       66.01109 
1 1 1 26  7   16 o 83.00569 37.50545 -0.6529451     4.117000  0.5641686      4.116005  -5.884438      61.25597 
1 1 1 26  7   17 o 127.0477 50.00572 6.059404       5.720882  4.148960       5.847866  9.944435       78.19573 
1 1 1 26  7   18 o 77.26939 37.27007 -4.197813      5.280548  -2.191483      5.415733  -6.924515      62.34107 
1 1 1 26  7   19 o 97.78628 42.50244 0.5088677E-01  4.123987  5.145775       5.983505  -31.55687      70.14111 
1 1 1 26  7   20 o 128.2095 50.47175 4.020216       5.994218  7.199312       5.795829  -16.05906      78.14064 
1 1 1 26  7   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  8   6  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  8   7  o 89.72139 39.65400 -0.2678740     4.201757  1.819088       4.491078  -12.43479      64.31409 
1 1 1 26  8   8  o 72.13756 34.23360 -1.492050      4.092214  -2.769435      4.169199  4.300423       57.54700 
1 1 1 26  8   9  o 87.32496 39.17872 3.015755       4.425906  -2.571815      4.379597  27.49037       64.14635 
1 1 1 26  8   10 o 176.8174 42.93549 10.68427       4.648472  7.368211       4.674910  31.19687       77.04630 
1 1 1 26  8   11 o 133.0954 45.20801 7.548635       4.506783  3.219543       4.405897  33.27009       72.88674 
1 1 1 26  8   12 o 93.31511 40.29914 1.816994       4.184902  0.5966193      4.342079  5.641632       64.88544 
1 1 1 26  8   13 o 146.1154 44.99753 8.416169       4.479248  4.538370       4.478228  32.21378       74.20034 
1 1 1 26  8   14 o 95.02939 40.77757 2.185901       4.354934  0.7439086      4.266218  8.418549       65.53070 
1 1 1 26  8   15 o 113.0550 43.11868 1.486068       4.211121  5.569855       4.186954  -28.24035      68.54308 
1 1 1 26  8   16 o 116.7755 43.64754 5.231205       4.366425  2.733436       4.148517  18.00085       69.76377 
1 1 1 26  8   17 o 118.6759 49.27405 3.976846       5.862970  4.109004       6.071280  -0.9912186     77.02402 
1 1 1 26  8   18 o 89.52631 41.22968 2.256117       5.228989  -2.872158      5.351284  18.70946       66.96790 
1 1 1 26  8   19 o 71.04467 33.87453 -3.061431      3.977890  -1.163040      4.326590  -10.28593      57.03930 
1 1 1 26  8   20 o 84.34254 40.19341 -2.769446      5.627476  -0.8532782     6.020840  -7.814034      65.73068 
1 1 1 26  8   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  9   7  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  9   8  o 76.08060 35.89004 -4.372695      4.472472  0.6378505      4.356606  -18.58985      60.09972 
1 1 1 26  9   9  o 92.76884 40.54577 -1.047112      4.430751  3.047117       4.413394  -21.10740      65.50588 
1 1 1 26  9   10 f 110.5363 43.71383 1.651949       4.428841  4.664624       4.448036  -19.26764      69.63638 
1 1 1 26  9   11 o 68.87101 33.30882 -2.364805      4.286890  -4.467798      4.399147  6.076164       56.79590 
1 1 1 26  9   12 o 123.3734 44.68033 5.225858       4.337247  3.643607       4.464029  11.26997       71.58994 
1 1 1 26  9   13 o 80.01082 36.75933 -2.698949      4.047574  1.625080       4.302857  -22.05927      61.07869 
1 1 1 26  9   14 o 128.2545 45.92255 2.810942       4.600601  7.245681       4.663579  -31.32930      73.22631 
1 1 1 26  9   15 o 75.85001 35.52498 0.8319485      4.143500  -3.784958      4.238202  18.46535       59.30130 
1 1 1 26  9   16 o 216.2402 35.42670 11.63706       4.547309  13.38806       4.629120  -16.89273      74.21906 
1 1 1 26  9   17 o 145.5247 51.85946 12.18481       6.301648  3.421859       5.565989  51.00406       82.23748 
1 1 1 26  9   18 o 105.7307 46.18575 3.959213       5.919141  0.7960468      5.559793  14.59553       73.09638 
1 1 1 26  9   19 o 103.7035 43.74480 2.800070       4.245728  2.039489       5.698053  -1.392159      69.48714 
1 1 1 26  9   20 o 95.49347 43.39613 1.990765       5.589136  -0.2362924     5.625570  8.096367       69.03458 
1 1 1 26  9   21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  10  8  o 70.62204 34.06891 -2.711213      4.499563  -3.646785      4.444678  3.661781       57.74907 
1 1 1 26  10  9  o 119.1429 44.67249 3.795016       4.488132  4.396775       4.437525  -4.014473      71.25990 
1 1 1 26  10  10 o 130.6654 45.70964 4.243720       4.509060  6.124640       4.626777  -13.77177      73.62553 
1 1 1 26  10  11 o 138.4616 45.74880 8.052458       4.568510  3.618295       4.563823  34.42337       73.99590 
1 1 1 26  10  12 o 82.96544 37.69903 0.5294352      4.312086  -1.029666      4.153021  8.608482       61.88002 
1 1 1 26  10  13 o 77.77940 36.19633 -2.020876      4.314816  -0.4040393     4.165638  -5.594597      59.99543 
1 1 1 26  10  14 o 93.88353 40.60101 0.3814388      4.289494  2.215034       4.386792  -10.40226      65.35741 
1 1 1 26  10  15 o 83.28727 37.58168 -2.451488      4.106376  2.438586       4.127584  -24.27431      61.66848 
1 1 1 26  10  16 o 76.38293 35.63617 -0.9100050     4.147952  -1.546185      4.151089  2.670166       59.08255 
1 1 1 26  10  17 f 107.5037 42.69944 2.571431       4.225296  3.502897       4.279354  -6.138855      67.92960 
1 1 1 26  10  18 f 121.7636 50.21064 5.541170       6.016691  3.612005       6.261289  8.514030       77.96243 
1 1 1 26  10  19 o 145.2074 53.26868 8.097457       6.445591  7.456068       6.130249  2.573822       82.91914 
1 1 1 26  10  20 o 99.16288 44.52773 7.689501       6.165244  -3.049424      5.326596  45.38860       72.36470 
1 1 1 26  10  21 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  11  9  o 86.29762 39.03526 -1.034293      4.595088  0.9758312      4.361042  -7.507751      63.53083 
1 1 1 26  11  10 o 83.07354 38.28511 -0.7637191     4.608250  -0.5615287     4.536670  -0.3145065     62.78358 
1 1 1 26  11  11 o 116.2880 45.47212 2.866253       4.674956  4.786242       4.840643  -12.18471      72.18481 
1 1 1 26  11  12 o 88.84249 39.46064 1.974110       4.432745  -0.8048076     4.271041  14.96446       64.13858 
1 1 1 26  11  13 o 92.81935 40.47596 1.842691       4.504461  0.4044530      4.275122  8.899780       65.30651 
1 1 1 26  11  14 o 106.6419 43.29958 3.829602       4.481972  1.771192       4.468892  12.39066       68.88975 
1 1 1 26  11  15 o 107.0443 43.07327 7.696082       4.459743  -1.584378      4.312593  59.26465       68.05399 
1 1 1 26  11  16 o 98.62626 42.89780 2.080976       4.217503  0.6921740      6.073377  -2.501068      68.92011 
1 1 1 26  11  17 o 116.9557 44.02604 3.146008       4.285631  4.935710       4.404035  -12.38821      70.07820 
1 1 1 26  11  18 f 91.64926 42.78003 -2.297781      5.732806  1.683221       6.290045  -15.53364      69.32030 
1 1 1 26  11  19 o 96.09094 43.84927 1.237950       5.693151  0.3735219      5.914268  2.158401       69.66020 
1 1 1 26  11  20 o 101.5439 42.37067 3.163444       4.440980  1.983338       4.442829  6.489235       66.90266 
1 1 1 26  12  10 o 91.92863 45.27366 0.000000       0.000000  -6.176449      6.463670  ?              ?        
1 1 1 26  12  11 o 71.07446 34.03686 -3.469306      4.164101  -1.615642      4.404668  -8.950249      57.54165 
1 1 1 26  12  12 o 102.8541 44.20677 7.057790       6.199294  -0.4096146     4.408305  42.69685       73.17986 
1 1 1 26  12  13 o 131.5133 45.73834 7.401103       4.625284  3.379191       4.514314  29.37740       73.32823 
1 1 1 26  12  14 o 96.20342 41.67352 1.483731       4.686297  1.483854       4.489575  1.048607       66.71669 
1 1 1 26  12  15 o 120.0726 47.96029 4.398445       4.763932  4.178096       6.365849  -1.160713      75.64466 
1 1 1 26  12  16 f 90.77827 41.43726 2.318871       4.406786  -4.696918      6.608036  12.31168       66.52794 
1 1 1 26  12  17 o 93.56664 40.54077 3.656657       4.461164  -0.5721438     4.229987  23.50455       65.17724 
1 1 1 26  12  18 o 80.51890 37.07441 0.6546386      4.313805  -1.512960      4.234937  9.928505       60.62170 
1 1 1 26  12  19 o 118.9168 49.33174 2.711614       5.804680  6.710139       6.152842  -18.21473      76.46762 
1 1 1 26  12  20 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  13  11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  13  12 o 129.3065 44.77672 4.458940       4.218661  5.904278       4.553450  -10.62367      72.31262 
1 1 1 26  13  13 o 118.1168 44.22690 2.011186       4.177706  6.678137       4.593633  -32.71774      70.59409 
1 1 1 26  13  14 o 117.0655 44.54844 6.321771       4.418022  1.659955       4.535784  30.46367       70.29865 
1 1 1 26  13  15 f 106.0740 44.87556 2.439745       5.931374  2.869832       4.529671  2.449562       71.09788 
1 1 1 26  13  16 o 117.8283 49.46113 4.202908       4.319002  0.000000       0.000000  ?              ?        
1 1 1 26  13  17 o 101.3589 41.65710 1.847348       4.221292  3.221858       4.188019  -8.057442      66.05629 
1 1 1 26  13  18 o 93.90718 40.33839 -0.2430126     4.086647  3.881814       4.380359  -23.75751      64.63795 
1 1 1 26  13  19 o 77.94777 37.05217 0.1730560      6.059543  -2.695969      4.195273  21.08465       62.67458 
1 1 1 26  14  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  14  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  14  15 o 212.4880 54.22255 0.000000       0.000000  15.57796       5.069764  ?              ?        
1 1 1 26  14  16 o 85.55730 39.61924 -0.7937924     4.338077  0.2844840      6.038146  -13.65637      65.21769 
1 1 1 26  14  17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 26  14  18 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  2   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  2   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  2   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  2   13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  2   14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  3   10 o 121.2692 55.12218 0.000000       0.000000  4.445810       6.401666  ?              ?        
1 1 1 27  3   11 o 123.1634 45.09249 3.557396       4.478207  5.943019       4.518219  -16.32973      71.62105 
1 1 1 27  3   12 o 88.86689 39.49299 3.374840       4.341399  -1.879686      4.384431  25.31989       63.75768 
1 1 1 27  3   13 o 157.8800 43.89108 7.712429       4.472848  7.647396       4.434163  0.2986298      75.35341 
1 1 1 27  3   14 o 90.19286 42.57299 -3.975395      6.090496  2.128499       6.373530  -19.50264      69.23596 
1 1 1 27  3   15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  4   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  4   10 o 79.79368 37.69862 -7.198452      5.743107  1.575357       4.349295  -19.08804      61.89804 
1 1 1 27  4   11 o 172.2332 44.06662 6.021673       4.638484  12.26502       4.820358  -53.69469      76.33884 
1 1 1 27  4   12 o 90.78893 39.96541 -2.617881      4.327443  4.788684       4.405838  -38.20939      64.68777 
1 1 1 27  4   13 o 131.6353 45.25164 5.005325       4.453021  5.951154       4.480750  -6.963715      72.82864 
1 1 1 27  4   14 o 130.6748 47.97760 3.502777       6.159391  6.719539       4.445367  -19.49399      75.10666 
1 1 1 27  4   15 o 99.67436 44.89094 1.350504       4.131067  0.000000       0.000000  ?              ?        
1 1 1 27  4   16 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  5   9  x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  5   10 o 81.51613 37.40358 -2.355914      4.194133  1.732302       4.410311  -19.78159      61.56414 
1 1 1 27  5   11 o 124.9461 45.02721 1.916161       4.332702  8.112566       4.601407  -44.14739      71.51896 
1 1 1 27  5   12 o 69.67090 33.39191 -2.083116      4.095629  -2.949408      4.180063  2.382370       56.22581 
1 1 1 27  5   13 o 97.00134 41.28132 -2.298609      4.285380  6.266694       4.421400  -48.83047      66.16878 
1 1 1 27  5   14 o 120.2949 50.35438 0.000000       0.000000  4.477425       4.457135  ?              ?        
1 1 1 27  5   15 o 97.34977 42.51713 3.912368       4.201340  -2.963208      5.954723  21.13858       66.98841 
1 1 1 27  5   16 o 87.56859 41.41770 2.668371       5.864313  -5.640203      6.038056  24.46301       67.79348 
1 1 1 27  5   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  6   10 o 198.9038 52.72186 13.23208       6.585226  13.32042       6.633398  -0.1277008     91.35588 
1 1 1 27  6   11 o 104.4146 42.84516 0.8640606      4.401793  4.567578       4.476706  -21.97675      68.04613 
1 1 1 27  6   12 o 105.3194 42.49603 2.399067       4.205208  3.310095       4.359795  -6.160629      67.54211 
1 1 1 27  6   13 o 77.66440 36.09164 -2.704790      4.104028  0.9306861      4.282826  -17.04906      59.84948 
1 1 1 27  6   14 o 101.3484 43.80220 3.536018       6.032164  1.253631       4.419886  16.54205       70.59074 
1 1 1 27  6   15 o 82.96104 37.69664 -0.3290272     4.032207  0.2739052      4.459239  -5.821991      61.47644 
1 1 1 27  6   16 o 154.1674 44.22541 4.824098       4.288467  10.30571       4.629611  -45.30336      74.23470 
1 1 1 27  6   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  7   10 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  7   11 o 130.5277 44.60578 5.977028       4.290808  4.490002       4.388005  11.47991       72.00101 
1 1 1 27  7   12 o 118.8619 44.46490 0.1838761E-01  4.276654  8.992623       4.569858  -62.70643      69.87067 
1 1 1 27  7   13 o 112.6323 44.32967 7.563826       4.621933  -0.1451123     4.471276  48.83041       69.91637 
1 1 1 27  7   14 o 115.0904 46.89129 5.504264       6.035460  2.763307       4.737429  16.34856       74.44741 
1 1 1 27  7   15 o 68.63394 32.91060 -0.8579708     4.013646  -4.173514      4.045428  12.03193       55.67854 
1 1 1 27  7   16 o 83.97331 37.65460 -0.4328303     3.907320  1.180209       4.233611  -10.28144      61.25726 
1 1 1 27  7   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  8   11 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  8   12 o 136.0532 44.90275 6.944509       4.407587  4.555948       4.390937  18.71384       72.96342 
1 1 1 27  8   13 o 81.02729 37.28828 -1.471216      4.328921  0.3609080      4.301326  -7.755417      61.11048 
1 1 1 27  8   14 o 82.96664 37.75029 0.6395341      4.266257  -0.8871137     4.253010  7.073967       61.54428 
1 1 1 27  8   15 o 72.04685 34.16327 -0.1229609     4.116250  -3.628705      4.078543  14.12048       57.31718 
1 1 1 27  8   16 o 84.55285 38.07682 1.721653       4.251073  -1.166734      4.154652  14.46967       61.89584 
1 1 1 27  8   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  9   12 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  9   13 o 140.1953 45.78993 3.401906       4.568649  9.012888       4.590723  -43.17705      73.64778 
1 1 1 27  9   14 o 128.4759 45.13836 8.426716       4.459324  1.861232       4.453631  47.92960       71.33534 
1 1 1 27  9   15 o 99.36031 41.91357 -0.3172824     4.481363  4.430835       4.361524  -25.66834      66.61389 
1 1 1 27  9   16 o 74.58376 35.14707 -1.114598      4.284611  -1.954019      4.143909  4.491234       58.36303 
1 1 1 27  9   17 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  10  13 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  10  14 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  10  15 x ?        ?        ?              ?         ?              ?         ?              ?        
1 1 1 27  10  16 x ?        ?        ?              ?         ?              ?         ?              ?        
# 
#END OF REFLECTIONS
